smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)C1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000015297596 1079469121 /nfs/dbraw/zinc/46/91/21/1079469121.db2.gz BLJGGXHWENQYKP-UHFFFAOYSA-N 2 2 402.539 0.935 20 0 HCADLP COCCNC(=O)C1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000025810756 1078025830 /nfs/dbraw/zinc/02/58/30/1078025830.db2.gz LOKHGHYYNNESOY-UHFFFAOYSA-N 2 2 424.586 0.612 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1 ZINC000027120481 1079602151 /nfs/dbraw/zinc/60/21/51/1079602151.db2.gz KRNBHANGSHRCJG-UHFFFAOYSA-N 2 2 412.542 0.572 20 0 HCADLP CCCS(=O)(=O)NC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000030137100 1079675155 /nfs/dbraw/zinc/67/51/55/1079675155.db2.gz XUUFHKBTMOKBLU-UHFFFAOYSA-N 2 2 423.583 0.914 20 0 HCADLP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000041626227 1079752266 /nfs/dbraw/zinc/75/22/66/1079752266.db2.gz PMCRAFBCUJBDBT-KRWDZBQOSA-N 2 2 409.556 0.382 20 0 HCADLP CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000041626227 1079752256 /nfs/dbraw/zinc/75/22/56/1079752256.db2.gz PMCRAFBCUJBDBT-KRWDZBQOSA-N 2 2 409.556 0.382 20 0 HCADLP CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000041626230 1079752474 /nfs/dbraw/zinc/75/24/74/1079752474.db2.gz PMCRAFBCUJBDBT-QGZVFWFLSA-N 2 2 409.556 0.382 20 0 HCADLP CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000041626230 1079752459 /nfs/dbraw/zinc/75/24/59/1079752459.db2.gz PMCRAFBCUJBDBT-QGZVFWFLSA-N 2 2 409.556 0.382 20 0 HCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000043228141 1079785056 /nfs/dbraw/zinc/78/50/56/1079785056.db2.gz LXTHMYLWNVPCCJ-UHFFFAOYSA-N 2 2 416.570 0.268 20 0 HCADLP O=C(CC[NH+]1CCC(C(=O)N2CCOCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000045802737 1079808653 /nfs/dbraw/zinc/80/86/53/1079808653.db2.gz JWQXBHLUJRZWAM-UHFFFAOYSA-N 2 2 415.538 0.691 20 0 HCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000046226583 1079816672 /nfs/dbraw/zinc/81/66/72/1079816672.db2.gz SUQFCWPZSRYKLT-UHFFFAOYSA-N 2 2 402.543 0.272 20 0 HCADLP C[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000046226933 1079816634 /nfs/dbraw/zinc/81/66/34/1079816634.db2.gz FQXQPOIWAWRQMK-IBGZPJMESA-N 2 2 416.570 0.660 20 0 HCADLP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000046226934 1079816619 /nfs/dbraw/zinc/81/66/19/1079816619.db2.gz FQXQPOIWAWRQMK-LJQANCHMSA-N 2 2 416.570 0.660 20 0 HCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047071585 1079839250 /nfs/dbraw/zinc/83/92/50/1079839250.db2.gz LMVJRDWQJRSOSI-HXUWFJFHSA-N 2 2 412.600 0.948 20 0 HCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047071586 1079839204 /nfs/dbraw/zinc/83/92/04/1079839204.db2.gz LMVJRDWQJRSOSI-FQEVSTJZSA-N 2 2 412.600 0.948 20 0 HCADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000054943026 1078022322 /nfs/dbraw/zinc/02/23/22/1078022322.db2.gz VZKVGMRHQLGGJA-UHFFFAOYSA-N 2 2 415.538 0.496 20 0 HCADLP O=C(CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054984138 1078021062 /nfs/dbraw/zinc/02/10/62/1078021062.db2.gz MVIMHKGAPBRSEK-IBGZPJMESA-N 2 2 415.538 0.691 20 0 HCADLP O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054984138 1078021056 /nfs/dbraw/zinc/02/10/56/1078021056.db2.gz MVIMHKGAPBRSEK-IBGZPJMESA-N 2 2 415.538 0.691 20 0 HCADLP O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054984140 1078021025 /nfs/dbraw/zinc/02/10/25/1078021025.db2.gz MVIMHKGAPBRSEK-LJQANCHMSA-N 2 2 415.538 0.691 20 0 HCADLP O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054984140 1078021019 /nfs/dbraw/zinc/02/10/19/1078021019.db2.gz MVIMHKGAPBRSEK-LJQANCHMSA-N 2 2 415.538 0.691 20 0 HCADLP O=C(C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000054994416 1078021821 /nfs/dbraw/zinc/02/18/21/1078021821.db2.gz ZBZPIYRYBJGOSE-NRFANRHFSA-N 2 2 414.550 0.902 20 0 HCADLP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000054994416 1078021816 /nfs/dbraw/zinc/02/18/16/1078021816.db2.gz ZBZPIYRYBJGOSE-NRFANRHFSA-N 2 2 414.550 0.902 20 0 HCADLP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000054994417 1078021694 /nfs/dbraw/zinc/02/16/94/1078021694.db2.gz ZBZPIYRYBJGOSE-OAQYLSRUSA-N 2 2 414.550 0.902 20 0 HCADLP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000054994417 1078021689 /nfs/dbraw/zinc/02/16/89/1078021689.db2.gz ZBZPIYRYBJGOSE-OAQYLSRUSA-N 2 2 414.550 0.902 20 0 HCADLP C[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CC(=O)N(CCc4ccccc4)C3=O)CC2)CC1 ZINC000055141749 1078023260 /nfs/dbraw/zinc/02/32/60/1078023260.db2.gz OGZNYKNBFMYOJG-FQEVSTJZSA-N 2 2 412.534 0.843 20 0 HCADLP C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000056761163 1080272679 /nfs/dbraw/zinc/27/26/79/1080272679.db2.gz CBMSNHJIXUWZHK-UHFFFAOYSA-N 2 2 403.527 0.847 20 0 HCADLP CC(C)[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000057780084 1079881629 /nfs/dbraw/zinc/88/16/29/1079881629.db2.gz NSSFKYALZPRSSL-LJQANCHMSA-N 2 2 404.559 0.989 20 0 HCADLP CC(C)[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000057780089 1079881577 /nfs/dbraw/zinc/88/15/77/1079881577.db2.gz NSSFKYALZPRSSL-IBGZPJMESA-N 2 2 404.559 0.989 20 0 HCADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cc21 ZINC000060603874 1079900353 /nfs/dbraw/zinc/90/03/53/1079900353.db2.gz IDCMYJWRGRHRDC-UHFFFAOYSA-N 2 2 400.439 0.498 20 0 HCADLP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCNc3cccc[nH+]3)ccc2oc1=O ZINC000060605304 1079900469 /nfs/dbraw/zinc/90/04/69/1079900469.db2.gz CJLQXRSLVLQJGV-UHFFFAOYSA-N 2 2 412.450 0.718 20 0 HCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000060617766 1079900952 /nfs/dbraw/zinc/90/09/52/1079900952.db2.gz YZQVCEUHTCINAM-ZDUSSCGKSA-N 2 2 400.439 0.496 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000061982557 1079918344 /nfs/dbraw/zinc/91/83/44/1079918344.db2.gz SOWZBROYPPZTEP-GOSISDBHSA-N 2 2 416.570 0.707 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000061983070 1079918209 /nfs/dbraw/zinc/91/82/09/1079918209.db2.gz DQSVDINLMIWYPY-UHFFFAOYSA-N 2 2 420.533 0.457 20 0 HCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000062506900 1079921993 /nfs/dbraw/zinc/92/19/93/1079921993.db2.gz PGGRBHZAGFHNPZ-INIZCTEOSA-N 2 2 412.560 0.173 20 0 HCADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000063464981 1080525269 /nfs/dbraw/zinc/52/52/69/1080525269.db2.gz SMYSLKHBSXKSHJ-WOJBJXKFSA-N 2 2 424.586 0.470 20 0 HCADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063854030 1079946854 /nfs/dbraw/zinc/94/68/54/1079946854.db2.gz OJLRWRZIRWCFKD-FQEVSTJZSA-N 2 2 414.550 0.948 20 0 HCADLP C[N@@H+](CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000063854640 1079947320 /nfs/dbraw/zinc/94/73/20/1079947320.db2.gz LZQUOJVVJPRSTN-HXUWFJFHSA-N 2 2 402.539 0.805 20 0 HCADLP C[N@H+](CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000063854640 1079947304 /nfs/dbraw/zinc/94/73/04/1079947304.db2.gz LZQUOJVVJPRSTN-HXUWFJFHSA-N 2 2 402.539 0.805 20 0 HCADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063862865 1079948452 /nfs/dbraw/zinc/94/84/52/1079948452.db2.gz INPNFIBCYRRWTL-OAQYLSRUSA-N 2 2 414.550 0.732 20 0 HCADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063862865 1079948446 /nfs/dbraw/zinc/94/84/46/1079948446.db2.gz INPNFIBCYRRWTL-OAQYLSRUSA-N 2 2 414.550 0.732 20 0 HCADLP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000064032593 1079952129 /nfs/dbraw/zinc/95/21/29/1079952129.db2.gz OINNZVSWBSTEHA-WIYYLYMNSA-N 2 2 414.550 0.730 20 0 HCADLP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000064032593 1079952110 /nfs/dbraw/zinc/95/21/10/1079952110.db2.gz OINNZVSWBSTEHA-WIYYLYMNSA-N 2 2 414.550 0.730 20 0 HCADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064033721 1079953738 /nfs/dbraw/zinc/95/37/38/1079953738.db2.gz GIVFZAKUFKBZEJ-NHCUHLMSSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064033721 1079953725 /nfs/dbraw/zinc/95/37/25/1079953725.db2.gz GIVFZAKUFKBZEJ-NHCUHLMSSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064034247 1079953451 /nfs/dbraw/zinc/95/34/51/1079953451.db2.gz KEOWPQIASBXZMF-GOSISDBHSA-N 2 2 424.611 0.645 20 0 HCADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064035838 1079953334 /nfs/dbraw/zinc/95/33/34/1079953334.db2.gz LDRVFIVMTXFDAJ-SFHVURJKSA-N 2 2 415.538 0.343 20 0 HCADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000064035845 1079953263 /nfs/dbraw/zinc/95/32/63/1079953263.db2.gz CMPYXDWNGYEBEX-LJQANCHMSA-N 2 2 418.538 0.424 20 0 HCADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064035913 1079953144 /nfs/dbraw/zinc/95/31/44/1079953144.db2.gz XUARRJYIEWLQOH-IBGZPJMESA-N 2 2 415.538 0.343 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000064037007 1079954701 /nfs/dbraw/zinc/95/47/01/1079954701.db2.gz UDKAFQDWMSXFIG-IEBWSBKVSA-N 2 2 406.502 0.725 20 0 HCADLP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000064344377 1079960099 /nfs/dbraw/zinc/96/00/99/1079960099.db2.gz DCWBUNQQUPCWIV-UHFFFAOYSA-N 2 2 410.540 0.707 20 0 HCADLP COC(=O)CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC(C)C ZINC000064558937 1079966646 /nfs/dbraw/zinc/96/66/46/1079966646.db2.gz RMJMEHUQINBOAI-UHFFFAOYSA-N 2 2 417.514 0.533 20 0 HCADLP COC(=O)CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC(C)C ZINC000064558937 1079966629 /nfs/dbraw/zinc/96/66/29/1079966629.db2.gz RMJMEHUQINBOAI-UHFFFAOYSA-N 2 2 417.514 0.533 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000065572780 1080774668 /nfs/dbraw/zinc/77/46/68/1080774668.db2.gz FSIMKECCTQBKAW-INIZCTEOSA-N 2 2 417.510 0.232 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000065572780 1080774657 /nfs/dbraw/zinc/77/46/57/1080774657.db2.gz FSIMKECCTQBKAW-INIZCTEOSA-N 2 2 417.510 0.232 20 0 HCADLP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000065801258 1080803690 /nfs/dbraw/zinc/80/36/90/1080803690.db2.gz FAOXWPLYKUZSTP-SFHVURJKSA-N 2 2 416.526 0.422 20 0 HCADLP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000065801258 1080803684 /nfs/dbraw/zinc/80/36/84/1080803684.db2.gz FAOXWPLYKUZSTP-SFHVURJKSA-N 2 2 416.526 0.422 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000107828614 1080258274 /nfs/dbraw/zinc/25/82/74/1080258274.db2.gz JGKKZDHGQSJBMS-LJQANCHMSA-N 2 2 411.591 0.929 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000107828614 1080258269 /nfs/dbraw/zinc/25/82/69/1080258269.db2.gz JGKKZDHGQSJBMS-LJQANCHMSA-N 2 2 411.591 0.929 20 0 HCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000107828614 1080258259 /nfs/dbraw/zinc/25/82/59/1080258259.db2.gz JGKKZDHGQSJBMS-LJQANCHMSA-N 2 2 411.591 0.929 20 0 HCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000107828614 1080258249 /nfs/dbraw/zinc/25/82/49/1080258249.db2.gz JGKKZDHGQSJBMS-LJQANCHMSA-N 2 2 411.591 0.929 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000107828617 1080258365 /nfs/dbraw/zinc/25/83/65/1080258365.db2.gz JGKKZDHGQSJBMS-IBGZPJMESA-N 2 2 411.591 0.929 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000107828617 1080258354 /nfs/dbraw/zinc/25/83/54/1080258354.db2.gz JGKKZDHGQSJBMS-IBGZPJMESA-N 2 2 411.591 0.929 20 0 HCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000107828617 1080258344 /nfs/dbraw/zinc/25/83/44/1080258344.db2.gz JGKKZDHGQSJBMS-IBGZPJMESA-N 2 2 411.591 0.929 20 0 HCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000107828617 1080258335 /nfs/dbraw/zinc/25/83/35/1080258335.db2.gz JGKKZDHGQSJBMS-IBGZPJMESA-N 2 2 411.591 0.929 20 0 HCADLP COCCn1c(N)c(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(=O)[nH]c1=O ZINC000110181454 1080404966 /nfs/dbraw/zinc/40/49/66/1080404966.db2.gz XLYFHHDKGOSBAS-UHFFFAOYSA-N 2 2 421.542 0.536 20 0 HCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000111202784 1080017884 /nfs/dbraw/zinc/01/78/84/1080017884.db2.gz ASUQGAJYFNTNHQ-UHFFFAOYSA-N 2 2 407.515 0.970 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000117644296 1081166436 /nfs/dbraw/zinc/16/64/36/1081166436.db2.gz NCASNJFENPXVLT-UHFFFAOYSA-N 2 2 424.553 0.957 20 0 HCADLP O[C@H](CNC1CC[NH+](CCN2CCOCC2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000238121775 1077907311 /nfs/dbraw/zinc/90/73/11/1077907311.db2.gz GNDUCLMVJNPPAJ-HSZRJFAPSA-N 2 2 402.583 0.792 20 0 HCADLP O[C@H](CNC1CC[NH+](CCN2CCOCC2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000238121775 1077907295 /nfs/dbraw/zinc/90/72/95/1077907295.db2.gz GNDUCLMVJNPPAJ-HSZRJFAPSA-N 2 2 402.583 0.792 20 0 HCADLP Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000303872437 1080364154 /nfs/dbraw/zinc/36/41/54/1080364154.db2.gz VDSLAKREGUVTDM-KRWDZBQOSA-N 2 2 402.543 0.967 20 0 HCADLP Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000303872438 1080363944 /nfs/dbraw/zinc/36/39/44/1080363944.db2.gz VDSLAKREGUVTDM-QGZVFWFLSA-N 2 2 402.543 0.967 20 0 HCADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428787154 1075341231 /nfs/dbraw/zinc/34/12/31/1075341231.db2.gz OCUSMDYMMDLEIO-IBGZPJMESA-N 2 2 408.568 0.864 20 0 HCADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428787154 1075341227 /nfs/dbraw/zinc/34/12/27/1075341227.db2.gz OCUSMDYMMDLEIO-IBGZPJMESA-N 2 2 408.568 0.864 20 0 HCADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428787156 1075341055 /nfs/dbraw/zinc/34/10/55/1075341055.db2.gz OCUSMDYMMDLEIO-LJQANCHMSA-N 2 2 408.568 0.864 20 0 HCADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428787156 1075341051 /nfs/dbraw/zinc/34/10/51/1075341051.db2.gz OCUSMDYMMDLEIO-LJQANCHMSA-N 2 2 408.568 0.864 20 0 HCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428940924 1081348196 /nfs/dbraw/zinc/34/81/96/1081348196.db2.gz SKHKTVYHQLMNKI-CEXWTWQISA-N 2 2 406.527 0.465 20 0 HCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428940924 1081348190 /nfs/dbraw/zinc/34/81/90/1081348190.db2.gz SKHKTVYHQLMNKI-CEXWTWQISA-N 2 2 406.527 0.465 20 0 HCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428940925 1081348419 /nfs/dbraw/zinc/34/84/19/1081348419.db2.gz SKHKTVYHQLMNKI-GBESFXJTSA-N 2 2 406.527 0.465 20 0 HCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428940925 1081348414 /nfs/dbraw/zinc/34/84/14/1081348414.db2.gz SKHKTVYHQLMNKI-GBESFXJTSA-N 2 2 406.527 0.465 20 0 HCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428940926 1081348331 /nfs/dbraw/zinc/34/83/31/1081348331.db2.gz SKHKTVYHQLMNKI-GUDVDZBRSA-N 2 2 406.527 0.465 20 0 HCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428940926 1081348328 /nfs/dbraw/zinc/34/83/28/1081348328.db2.gz SKHKTVYHQLMNKI-GUDVDZBRSA-N 2 2 406.527 0.465 20 0 HCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428940927 1081348129 /nfs/dbraw/zinc/34/81/29/1081348129.db2.gz SKHKTVYHQLMNKI-IPMKNSEASA-N 2 2 406.527 0.465 20 0 HCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428940927 1081348120 /nfs/dbraw/zinc/34/81/20/1081348120.db2.gz SKHKTVYHQLMNKI-IPMKNSEASA-N 2 2 406.527 0.465 20 0 HCADLP CN(C)c1[nH+]cc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000428978569 1081359178 /nfs/dbraw/zinc/35/91/78/1081359178.db2.gz PMSWSFWIIWHRQZ-UHFFFAOYSA-N 3 2 400.531 0.893 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)C1 ZINC000428995257 1081363656 /nfs/dbraw/zinc/36/36/56/1081363656.db2.gz AKMWNEWIZFZVNJ-NRFANRHFSA-N 2 2 420.579 0.688 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)C1 ZINC000428995257 1081363648 /nfs/dbraw/zinc/36/36/48/1081363648.db2.gz AKMWNEWIZFZVNJ-NRFANRHFSA-N 2 2 420.579 0.688 20 0 HCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)C1 ZINC000428995257 1081363641 /nfs/dbraw/zinc/36/36/41/1081363641.db2.gz AKMWNEWIZFZVNJ-NRFANRHFSA-N 2 2 420.579 0.688 20 0 HCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)C1 ZINC000428995257 1081363636 /nfs/dbraw/zinc/36/36/36/1081363636.db2.gz AKMWNEWIZFZVNJ-NRFANRHFSA-N 2 2 420.579 0.688 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)C1 ZINC000428995261 1081363740 /nfs/dbraw/zinc/36/37/40/1081363740.db2.gz AKMWNEWIZFZVNJ-OAQYLSRUSA-N 2 2 420.579 0.688 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)C1 ZINC000428995261 1081363733 /nfs/dbraw/zinc/36/37/33/1081363733.db2.gz AKMWNEWIZFZVNJ-OAQYLSRUSA-N 2 2 420.579 0.688 20 0 HCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)C1 ZINC000428995261 1081363723 /nfs/dbraw/zinc/36/37/23/1081363723.db2.gz AKMWNEWIZFZVNJ-OAQYLSRUSA-N 2 2 420.579 0.688 20 0 HCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)C1 ZINC000428995261 1081363717 /nfs/dbraw/zinc/36/37/17/1081363717.db2.gz AKMWNEWIZFZVNJ-OAQYLSRUSA-N 2 2 420.579 0.688 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)C1 ZINC000428996405 1081364115 /nfs/dbraw/zinc/36/41/15/1081364115.db2.gz DLRLCGBGZCSNOU-JOCHJYFZSA-N 2 2 417.529 0.936 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)C1 ZINC000428996405 1081364112 /nfs/dbraw/zinc/36/41/12/1081364112.db2.gz DLRLCGBGZCSNOU-JOCHJYFZSA-N 2 2 417.529 0.936 20 0 HCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)C1 ZINC000428996405 1081364104 /nfs/dbraw/zinc/36/41/04/1081364104.db2.gz DLRLCGBGZCSNOU-JOCHJYFZSA-N 2 2 417.529 0.936 20 0 HCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)C1 ZINC000428996405 1081364096 /nfs/dbraw/zinc/36/40/96/1081364096.db2.gz DLRLCGBGZCSNOU-JOCHJYFZSA-N 2 2 417.529 0.936 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)C1 ZINC000428996408 1081364623 /nfs/dbraw/zinc/36/46/23/1081364623.db2.gz DLRLCGBGZCSNOU-QFIPXVFZSA-N 2 2 417.529 0.936 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)C1 ZINC000428996408 1081364615 /nfs/dbraw/zinc/36/46/15/1081364615.db2.gz DLRLCGBGZCSNOU-QFIPXVFZSA-N 2 2 417.529 0.936 20 0 HCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)C1 ZINC000428996408 1081364608 /nfs/dbraw/zinc/36/46/08/1081364608.db2.gz DLRLCGBGZCSNOU-QFIPXVFZSA-N 2 2 417.529 0.936 20 0 HCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)C1 ZINC000428996408 1081364599 /nfs/dbraw/zinc/36/45/99/1081364599.db2.gz DLRLCGBGZCSNOU-QFIPXVFZSA-N 2 2 417.529 0.936 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)C1 ZINC000429019812 1081371579 /nfs/dbraw/zinc/37/15/79/1081371579.db2.gz KRVGIXDNYULGSM-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)C1 ZINC000429019812 1081371570 /nfs/dbraw/zinc/37/15/70/1081371570.db2.gz KRVGIXDNYULGSM-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)C1 ZINC000429019812 1081371561 /nfs/dbraw/zinc/37/15/61/1081371561.db2.gz KRVGIXDNYULGSM-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)C1 ZINC000429019812 1081371557 /nfs/dbraw/zinc/37/15/57/1081371557.db2.gz KRVGIXDNYULGSM-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)C1 ZINC000429019814 1081371444 /nfs/dbraw/zinc/37/14/44/1081371444.db2.gz KRVGIXDNYULGSM-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)C1 ZINC000429019814 1081371438 /nfs/dbraw/zinc/37/14/38/1081371438.db2.gz KRVGIXDNYULGSM-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)C1 ZINC000429019814 1081371431 /nfs/dbraw/zinc/37/14/31/1081371431.db2.gz KRVGIXDNYULGSM-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)C2)C1 ZINC000429019814 1081371424 /nfs/dbraw/zinc/37/14/24/1081371424.db2.gz KRVGIXDNYULGSM-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[C@](O)(CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429023264 1081372262 /nfs/dbraw/zinc/37/22/62/1081372262.db2.gz BMTNYSQVVZOZRC-CTNGQTDRSA-N 2 2 422.595 0.986 20 0 HCADLP C[C@](O)(CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429023264 1081372254 /nfs/dbraw/zinc/37/22/54/1081372254.db2.gz BMTNYSQVVZOZRC-CTNGQTDRSA-N 2 2 422.595 0.986 20 0 HCADLP C[C@](O)(CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429023271 1081372448 /nfs/dbraw/zinc/37/24/48/1081372448.db2.gz BMTNYSQVVZOZRC-FPOVZHCZSA-N 2 2 422.595 0.986 20 0 HCADLP C[C@](O)(CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429023271 1081372442 /nfs/dbraw/zinc/37/24/42/1081372442.db2.gz BMTNYSQVVZOZRC-FPOVZHCZSA-N 2 2 422.595 0.986 20 0 HCADLP C[C@@](O)(CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429023274 1081372325 /nfs/dbraw/zinc/37/23/25/1081372325.db2.gz BMTNYSQVVZOZRC-PZJWPPBQSA-N 2 2 422.595 0.986 20 0 HCADLP C[C@@](O)(CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429023274 1081372318 /nfs/dbraw/zinc/37/23/18/1081372318.db2.gz BMTNYSQVVZOZRC-PZJWPPBQSA-N 2 2 422.595 0.986 20 0 HCADLP C[C@@](O)(CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429023277 1081372201 /nfs/dbraw/zinc/37/22/01/1081372201.db2.gz BMTNYSQVVZOZRC-TZIWHRDSSA-N 2 2 422.595 0.986 20 0 HCADLP C[C@@](O)(CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429023277 1081372194 /nfs/dbraw/zinc/37/21/94/1081372194.db2.gz BMTNYSQVVZOZRC-TZIWHRDSSA-N 2 2 422.595 0.986 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)C1 ZINC000429029696 1081374564 /nfs/dbraw/zinc/37/45/64/1081374564.db2.gz OZYZCPYIPCRWRX-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)C1 ZINC000429029696 1081374557 /nfs/dbraw/zinc/37/45/57/1081374557.db2.gz OZYZCPYIPCRWRX-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)C1 ZINC000429029696 1081374549 /nfs/dbraw/zinc/37/45/49/1081374549.db2.gz OZYZCPYIPCRWRX-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)C1 ZINC000429029696 1081374541 /nfs/dbraw/zinc/37/45/41/1081374541.db2.gz OZYZCPYIPCRWRX-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)C1 ZINC000429029697 1081374684 /nfs/dbraw/zinc/37/46/84/1081374684.db2.gz OZYZCPYIPCRWRX-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)C1 ZINC000429029697 1081374680 /nfs/dbraw/zinc/37/46/80/1081374680.db2.gz OZYZCPYIPCRWRX-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)C1 ZINC000429029697 1081374675 /nfs/dbraw/zinc/37/46/75/1081374675.db2.gz OZYZCPYIPCRWRX-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)C1 ZINC000429029697 1081374663 /nfs/dbraw/zinc/37/46/63/1081374663.db2.gz OZYZCPYIPCRWRX-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000429033390 1081375910 /nfs/dbraw/zinc/37/59/10/1081375910.db2.gz DVKUDIQWOANXMG-KRWDZBQOSA-N 2 2 413.526 0.760 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000429033390 1081375903 /nfs/dbraw/zinc/37/59/03/1081375903.db2.gz DVKUDIQWOANXMG-KRWDZBQOSA-N 2 2 413.526 0.760 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000429033392 1081375686 /nfs/dbraw/zinc/37/56/86/1081375686.db2.gz DVKUDIQWOANXMG-QGZVFWFLSA-N 2 2 413.526 0.760 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000429033392 1081375680 /nfs/dbraw/zinc/37/56/80/1081375680.db2.gz DVKUDIQWOANXMG-QGZVFWFLSA-N 2 2 413.526 0.760 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429037520 1081376760 /nfs/dbraw/zinc/37/67/60/1081376760.db2.gz XYJFCKAYCRNRGO-LEWJYISDSA-N 2 2 420.554 0.612 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429037520 1081376754 /nfs/dbraw/zinc/37/67/54/1081376754.db2.gz XYJFCKAYCRNRGO-LEWJYISDSA-N 2 2 420.554 0.612 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429037521 1081376663 /nfs/dbraw/zinc/37/66/63/1081376663.db2.gz XYJFCKAYCRNRGO-NHCUHLMSSA-N 2 2 420.554 0.612 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429037521 1081376659 /nfs/dbraw/zinc/37/66/59/1081376659.db2.gz XYJFCKAYCRNRGO-NHCUHLMSSA-N 2 2 420.554 0.612 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429037522 1081376706 /nfs/dbraw/zinc/37/67/06/1081376706.db2.gz XYJFCKAYCRNRGO-RTWAWAEBSA-N 2 2 420.554 0.612 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429037522 1081376700 /nfs/dbraw/zinc/37/67/00/1081376700.db2.gz XYJFCKAYCRNRGO-RTWAWAEBSA-N 2 2 420.554 0.612 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429037523 1081376879 /nfs/dbraw/zinc/37/68/79/1081376879.db2.gz XYJFCKAYCRNRGO-SFTDATJTSA-N 2 2 420.554 0.612 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429037523 1081376874 /nfs/dbraw/zinc/37/68/74/1081376874.db2.gz XYJFCKAYCRNRGO-SFTDATJTSA-N 2 2 420.554 0.612 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 ZINC000429039394 1081377256 /nfs/dbraw/zinc/37/72/56/1081377256.db2.gz ZCYVEOQDXMOSJQ-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 ZINC000429039394 1081377246 /nfs/dbraw/zinc/37/72/46/1081377246.db2.gz ZCYVEOQDXMOSJQ-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 ZINC000429039394 1081377235 /nfs/dbraw/zinc/37/72/35/1081377235.db2.gz ZCYVEOQDXMOSJQ-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 ZINC000429039394 1081377227 /nfs/dbraw/zinc/37/72/27/1081377227.db2.gz ZCYVEOQDXMOSJQ-FQEVSTJZSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 ZINC000429039397 1081377340 /nfs/dbraw/zinc/37/73/40/1081377340.db2.gz ZCYVEOQDXMOSJQ-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 ZINC000429039397 1081377330 /nfs/dbraw/zinc/37/73/30/1081377330.db2.gz ZCYVEOQDXMOSJQ-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 ZINC000429039397 1081377325 /nfs/dbraw/zinc/37/73/25/1081377325.db2.gz ZCYVEOQDXMOSJQ-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)C1 ZINC000429039397 1081377317 /nfs/dbraw/zinc/37/73/17/1081377317.db2.gz ZCYVEOQDXMOSJQ-HXUWFJFHSA-N 2 2 424.542 0.686 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000429780840 1074687499 /nfs/dbraw/zinc/68/74/99/1074687499.db2.gz QUCKULVBQVFFSV-UHFFFAOYSA-N 2 2 417.510 0.185 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000429780840 1074687490 /nfs/dbraw/zinc/68/74/90/1074687490.db2.gz QUCKULVBQVFFSV-UHFFFAOYSA-N 2 2 417.510 0.185 20 0 HCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000429789041 1074692306 /nfs/dbraw/zinc/69/23/06/1074692306.db2.gz BPFRXYMJFZTDDT-UHFFFAOYSA-N 2 2 418.542 0.454 20 0 HCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC000429790002 1074692788 /nfs/dbraw/zinc/69/27/88/1074692788.db2.gz SKMXGJXOKKZZCB-INIZCTEOSA-N 2 2 403.527 0.656 20 0 HCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC000429790003 1074692585 /nfs/dbraw/zinc/69/25/85/1074692585.db2.gz SKMXGJXOKKZZCB-MRXNPFEDSA-N 2 2 403.527 0.656 20 0 HCADLP Cc1cc(N2CCN(C(=O)C[NH+]3CCC(NC(N)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000429792438 1074681466 /nfs/dbraw/zinc/68/14/66/1074681466.db2.gz QFVXJYKQKKYDHW-UHFFFAOYSA-N 2 2 403.531 0.690 20 0 HCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444794223 1078393084 /nfs/dbraw/zinc/39/30/84/1078393084.db2.gz RGXISBIVFNCVLP-DOTOQJQBSA-N 2 2 419.551 0.994 20 0 HCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444794223 1078393082 /nfs/dbraw/zinc/39/30/82/1078393082.db2.gz RGXISBIVFNCVLP-DOTOQJQBSA-N 2 2 419.551 0.994 20 0 HCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444794224 1078393050 /nfs/dbraw/zinc/39/30/50/1078393050.db2.gz RGXISBIVFNCVLP-NVXWUHKLSA-N 2 2 419.551 0.994 20 0 HCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444794224 1078393046 /nfs/dbraw/zinc/39/30/46/1078393046.db2.gz RGXISBIVFNCVLP-NVXWUHKLSA-N 2 2 419.551 0.994 20 0 HCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444794225 1078393161 /nfs/dbraw/zinc/39/31/61/1078393161.db2.gz RGXISBIVFNCVLP-RDJZCZTQSA-N 2 2 419.551 0.994 20 0 HCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444794225 1078393157 /nfs/dbraw/zinc/39/31/57/1078393157.db2.gz RGXISBIVFNCVLP-RDJZCZTQSA-N 2 2 419.551 0.994 20 0 HCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444794226 1078393350 /nfs/dbraw/zinc/39/33/50/1078393350.db2.gz RGXISBIVFNCVLP-WBVHZDCISA-N 2 2 419.551 0.994 20 0 HCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444794226 1078393346 /nfs/dbraw/zinc/39/33/46/1078393346.db2.gz RGXISBIVFNCVLP-WBVHZDCISA-N 2 2 419.551 0.994 20 0 HCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000444797050 1078395070 /nfs/dbraw/zinc/39/50/70/1078395070.db2.gz OWOXFJYZRJBJNS-KRWDZBQOSA-N 2 2 404.559 0.658 20 0 HCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000444797050 1078395068 /nfs/dbraw/zinc/39/50/68/1078395068.db2.gz OWOXFJYZRJBJNS-KRWDZBQOSA-N 2 2 404.559 0.658 20 0 HCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000444797051 1078391044 /nfs/dbraw/zinc/39/10/44/1078391044.db2.gz OWOXFJYZRJBJNS-QGZVFWFLSA-N 2 2 404.559 0.658 20 0 HCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000444797051 1078391041 /nfs/dbraw/zinc/39/10/41/1078391041.db2.gz OWOXFJYZRJBJNS-QGZVFWFLSA-N 2 2 404.559 0.658 20 0 HCADLP C[NH+]1CCC(CNC(=O)Nc2nc(CS(C)(=O)=O)no2)([NH+]2CCCCC2)CC1 ZINC000462273117 1075319612 /nfs/dbraw/zinc/31/96/12/1075319612.db2.gz AROYIOMXUPBBQY-UHFFFAOYSA-N 2 2 414.532 0.108 20 0 HCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)cn2)CC1 ZINC000462542532 1075433926 /nfs/dbraw/zinc/43/39/26/1075433926.db2.gz NABXKCDMOBVCKN-UHFFFAOYSA-N 2 2 401.490 0.889 20 0 HCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](Cc3ccccc3)C(=O)N3CCOCC3)cn2)CC1 ZINC000462649977 1075471772 /nfs/dbraw/zinc/47/17/72/1075471772.db2.gz YYHABOLSYOWVQR-NRFANRHFSA-N 2 2 424.549 0.788 20 0 HCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](Cc3ccccc3)C(=O)N3CCOCC3)cn2)CC1 ZINC000462649978 1075471939 /nfs/dbraw/zinc/47/19/39/1075471939.db2.gz YYHABOLSYOWVQR-OAQYLSRUSA-N 2 2 424.549 0.788 20 0 HCADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462737502 1075505470 /nfs/dbraw/zinc/50/54/70/1075505470.db2.gz PZHIQIXNRNJJFL-MSOLQXFVSA-N 2 2 417.620 0.856 20 0 HCADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462737502 1075505463 /nfs/dbraw/zinc/50/54/63/1075505463.db2.gz PZHIQIXNRNJJFL-MSOLQXFVSA-N 2 2 417.620 0.856 20 0 HCADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462737503 1075505541 /nfs/dbraw/zinc/50/55/41/1075505541.db2.gz PZHIQIXNRNJJFL-QZTJIDSGSA-N 2 2 417.620 0.856 20 0 HCADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462737503 1075505533 /nfs/dbraw/zinc/50/55/33/1075505533.db2.gz PZHIQIXNRNJJFL-QZTJIDSGSA-N 2 2 417.620 0.856 20 0 HCADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462737504 1075505590 /nfs/dbraw/zinc/50/55/90/1075505590.db2.gz PZHIQIXNRNJJFL-ROUUACIJSA-N 2 2 417.620 0.856 20 0 HCADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462737504 1075505585 /nfs/dbraw/zinc/50/55/85/1075505585.db2.gz PZHIQIXNRNJJFL-ROUUACIJSA-N 2 2 417.620 0.856 20 0 HCADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462737505 1075505392 /nfs/dbraw/zinc/50/53/92/1075505392.db2.gz PZHIQIXNRNJJFL-ZWKOTPCHSA-N 2 2 417.620 0.856 20 0 HCADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462737505 1075505385 /nfs/dbraw/zinc/50/53/85/1075505385.db2.gz PZHIQIXNRNJJFL-ZWKOTPCHSA-N 2 2 417.620 0.856 20 0 HCADLP CCN1CC[NH+](CCC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC1 ZINC000462748076 1075510400 /nfs/dbraw/zinc/51/04/00/1075510400.db2.gz GIPABORAVAPRIB-UHFFFAOYSA-N 2 2 411.572 0.493 20 0 HCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000462752735 1075507123 /nfs/dbraw/zinc/50/71/23/1075507123.db2.gz BTQHCZZVWPWPEZ-HNNXBMFYSA-N 2 2 400.570 0.902 20 0 HCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000462752735 1075507121 /nfs/dbraw/zinc/50/71/21/1075507121.db2.gz BTQHCZZVWPWPEZ-HNNXBMFYSA-N 2 2 400.570 0.902 20 0 HCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000462752740 1075506993 /nfs/dbraw/zinc/50/69/93/1075506993.db2.gz BTQHCZZVWPWPEZ-OAHLLOKOSA-N 2 2 400.570 0.902 20 0 HCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000462752740 1075506979 /nfs/dbraw/zinc/50/69/79/1075506979.db2.gz BTQHCZZVWPWPEZ-OAHLLOKOSA-N 2 2 400.570 0.902 20 0 HCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCCC[NH+]2CCOCC2)c1 ZINC000462763149 1075512916 /nfs/dbraw/zinc/51/29/16/1075512916.db2.gz NZBWGEIGQYYGSD-UHFFFAOYSA-N 2 2 412.556 0.968 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462808057 1075526488 /nfs/dbraw/zinc/52/64/88/1075526488.db2.gz GMBLKXJUQVMWFX-GIVPXCGWSA-N 2 2 414.550 0.804 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462808057 1075526481 /nfs/dbraw/zinc/52/64/81/1075526481.db2.gz GMBLKXJUQVMWFX-GIVPXCGWSA-N 2 2 414.550 0.804 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462808058 1075526576 /nfs/dbraw/zinc/52/65/76/1075526576.db2.gz GMBLKXJUQVMWFX-HLAWJBBLSA-N 2 2 414.550 0.804 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462808058 1075526570 /nfs/dbraw/zinc/52/65/70/1075526570.db2.gz GMBLKXJUQVMWFX-HLAWJBBLSA-N 2 2 414.550 0.804 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462808059 1075526415 /nfs/dbraw/zinc/52/64/15/1075526415.db2.gz GMBLKXJUQVMWFX-HMXCVIKNSA-N 2 2 414.550 0.804 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462808059 1075526408 /nfs/dbraw/zinc/52/64/08/1075526408.db2.gz GMBLKXJUQVMWFX-HMXCVIKNSA-N 2 2 414.550 0.804 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462808060 1075526616 /nfs/dbraw/zinc/52/66/16/1075526616.db2.gz GMBLKXJUQVMWFX-NRSPTQNISA-N 2 2 414.550 0.804 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462808060 1075526607 /nfs/dbraw/zinc/52/66/07/1075526607.db2.gz GMBLKXJUQVMWFX-NRSPTQNISA-N 2 2 414.550 0.804 20 0 HCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000462901088 1075552086 /nfs/dbraw/zinc/55/20/86/1075552086.db2.gz BDCRAZBYXGOEJL-KRWDZBQOSA-N 2 2 404.577 0.655 20 0 HCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000462901089 1075552021 /nfs/dbraw/zinc/55/20/21/1075552021.db2.gz BDCRAZBYXGOEJL-QGZVFWFLSA-N 2 2 404.577 0.655 20 0 HCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000462901789 1075552073 /nfs/dbraw/zinc/55/20/73/1075552073.db2.gz FOARJYVPQZPUIP-UHFFFAOYSA-N 2 2 420.557 0.443 20 0 HCADLP CC(C)c1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc(N(C)C)[nH+]1 ZINC000462925061 1075556333 /nfs/dbraw/zinc/55/63/33/1075556333.db2.gz TYBXIZYQRIZNOI-UHFFFAOYSA-N 2 2 411.576 0.280 20 0 HCADLP CN(C(=O)C1(C2CC2)CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000463002089 1075579043 /nfs/dbraw/zinc/57/90/43/1075579043.db2.gz OGGADMRDIZTRQC-UHFFFAOYSA-N 2 2 406.571 0.890 20 0 HCADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000463164302 1075629562 /nfs/dbraw/zinc/62/95/62/1075629562.db2.gz VEENPAIHIGSXAS-HNNXBMFYSA-N 2 2 412.556 0.964 20 0 HCADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000463164307 1075629622 /nfs/dbraw/zinc/62/96/22/1075629622.db2.gz VEENPAIHIGSXAS-OAHLLOKOSA-N 2 2 412.556 0.964 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000463204221 1075646450 /nfs/dbraw/zinc/64/64/50/1075646450.db2.gz QNEWRQGUGBURGC-UHFFFAOYSA-N 2 2 423.583 0.417 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000463211062 1075651102 /nfs/dbraw/zinc/65/11/02/1075651102.db2.gz DFOUNUCZDNZBQT-APWZRJJASA-N 2 2 423.583 0.284 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000463211062 1075651098 /nfs/dbraw/zinc/65/10/98/1075651098.db2.gz DFOUNUCZDNZBQT-APWZRJJASA-N 2 2 423.583 0.284 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000463211063 1075651290 /nfs/dbraw/zinc/65/12/90/1075651290.db2.gz DFOUNUCZDNZBQT-LPHOPBHVSA-N 2 2 423.583 0.284 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000463211063 1075651286 /nfs/dbraw/zinc/65/12/86/1075651286.db2.gz DFOUNUCZDNZBQT-LPHOPBHVSA-N 2 2 423.583 0.284 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000463211064 1075651256 /nfs/dbraw/zinc/65/12/56/1075651256.db2.gz DFOUNUCZDNZBQT-QFBILLFUSA-N 2 2 423.583 0.284 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000463211064 1075651251 /nfs/dbraw/zinc/65/12/51/1075651251.db2.gz DFOUNUCZDNZBQT-QFBILLFUSA-N 2 2 423.583 0.284 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000463211065 1075651193 /nfs/dbraw/zinc/65/11/93/1075651193.db2.gz DFOUNUCZDNZBQT-VQIMIIECSA-N 2 2 423.583 0.284 20 0 HCADLP CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000463211065 1075651187 /nfs/dbraw/zinc/65/11/87/1075651187.db2.gz DFOUNUCZDNZBQT-VQIMIIECSA-N 2 2 423.583 0.284 20 0 HCADLP C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463415534 1075730826 /nfs/dbraw/zinc/73/08/26/1075730826.db2.gz JGCXKMGKWLCSLD-KRWDZBQOSA-N 2 2 401.529 0.452 20 0 HCADLP C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463415535 1075730928 /nfs/dbraw/zinc/73/09/28/1075730928.db2.gz JGCXKMGKWLCSLD-QGZVFWFLSA-N 2 2 401.529 0.452 20 0 HCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000463424484 1075735815 /nfs/dbraw/zinc/73/58/15/1075735815.db2.gz BGPLGTDATCNADT-UHFFFAOYSA-N 2 2 411.568 0.785 20 0 HCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629701 1075781380 /nfs/dbraw/zinc/78/13/80/1075781380.db2.gz OHJRSBYALMJDIY-KRWDZBQOSA-N 2 2 424.567 0.434 20 0 HCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629701 1075781371 /nfs/dbraw/zinc/78/13/71/1075781371.db2.gz OHJRSBYALMJDIY-KRWDZBQOSA-N 2 2 424.567 0.434 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629702 1075781325 /nfs/dbraw/zinc/78/13/25/1075781325.db2.gz OHJRSBYALMJDIY-QGZVFWFLSA-N 2 2 424.567 0.434 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629702 1075781317 /nfs/dbraw/zinc/78/13/17/1075781317.db2.gz OHJRSBYALMJDIY-QGZVFWFLSA-N 2 2 424.567 0.434 20 0 HCADLP CN(C(=O)CCCOc1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000463788454 1075808163 /nfs/dbraw/zinc/80/81/63/1075808163.db2.gz JMCVNJSFDFGYFD-UHFFFAOYSA-N 2 2 417.554 0.937 20 0 HCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000463873563 1075830673 /nfs/dbraw/zinc/83/06/73/1075830673.db2.gz SDSZEKGXXHJOTB-FQEVSTJZSA-N 2 2 411.568 0.785 20 0 HCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000463873563 1075830671 /nfs/dbraw/zinc/83/06/71/1075830671.db2.gz SDSZEKGXXHJOTB-FQEVSTJZSA-N 2 2 411.568 0.785 20 0 HCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000463873564 1075830949 /nfs/dbraw/zinc/83/09/49/1075830949.db2.gz SDSZEKGXXHJOTB-HXUWFJFHSA-N 2 2 411.568 0.785 20 0 HCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000463873564 1075830946 /nfs/dbraw/zinc/83/09/46/1075830946.db2.gz SDSZEKGXXHJOTB-HXUWFJFHSA-N 2 2 411.568 0.785 20 0 HCADLP COc1ccc([C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[NH+](C)C)cc1OC ZINC000465407621 1077473741 /nfs/dbraw/zinc/47/37/41/1077473741.db2.gz VLPDVQLWHGICPY-DYESRHJHSA-N 2 2 424.542 0.689 20 0 HCADLP COc1ccc([C@H](CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)[NH+](C)C)cc1OC ZINC000465407622 1077473933 /nfs/dbraw/zinc/47/39/33/1077473933.db2.gz VLPDVQLWHGICPY-LAUBAEHRSA-N 2 2 424.542 0.689 20 0 HCADLP COc1ccc([C@@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[NH+](C)C)cc1OC ZINC000465407623 1077473439 /nfs/dbraw/zinc/47/34/39/1077473439.db2.gz VLPDVQLWHGICPY-UTKZUKDTSA-N 2 2 424.542 0.689 20 0 HCADLP COc1ccc([C@H](CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)[NH+](C)C)cc1OC ZINC000465407624 1077473519 /nfs/dbraw/zinc/47/35/19/1077473519.db2.gz VLPDVQLWHGICPY-UWJYYQICSA-N 2 2 424.542 0.689 20 0 HCADLP C[C@@H](CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000465429831 1077628303 /nfs/dbraw/zinc/62/83/03/1077628303.db2.gz GTIXCDVBXSFVOQ-NRFANRHFSA-N 2 2 416.614 0.987 20 0 HCADLP C[C@H](CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000465429832 1077628227 /nfs/dbraw/zinc/62/82/27/1077628227.db2.gz GTIXCDVBXSFVOQ-OAQYLSRUSA-N 2 2 416.614 0.987 20 0 HCADLP C[C@@](O)(CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000465439076 1077644646 /nfs/dbraw/zinc/64/46/46/1077644646.db2.gz YHRVVUDVGZUBNR-JOCHJYFZSA-N 2 2 419.570 0.187 20 0 HCADLP C[C@](O)(CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000465439078 1077645255 /nfs/dbraw/zinc/64/52/55/1077645255.db2.gz YHRVVUDVGZUBNR-QFIPXVFZSA-N 2 2 419.570 0.187 20 0 HCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000465513460 1078003505 /nfs/dbraw/zinc/00/35/05/1078003505.db2.gz CFVDEOJHPRQPGP-IBGZPJMESA-N 2 2 417.602 0.906 20 0 HCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000465513460 1078003498 /nfs/dbraw/zinc/00/34/98/1078003498.db2.gz CFVDEOJHPRQPGP-IBGZPJMESA-N 2 2 417.602 0.906 20 0 HCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000465513462 1078003437 /nfs/dbraw/zinc/00/34/37/1078003437.db2.gz CFVDEOJHPRQPGP-LJQANCHMSA-N 2 2 417.602 0.906 20 0 HCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000465513462 1078003430 /nfs/dbraw/zinc/00/34/30/1078003430.db2.gz CFVDEOJHPRQPGP-LJQANCHMSA-N 2 2 417.602 0.906 20 0 HCADLP C[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)CN1CC[NH+](C)CC1 ZINC000465518002 1078055044 /nfs/dbraw/zinc/05/50/44/1078055044.db2.gz NOCMQZCYINKKST-GOSISDBHSA-N 2 2 403.575 0.516 20 0 HCADLP C[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)CN1CC[NH+](C)CC1 ZINC000465518004 1078055102 /nfs/dbraw/zinc/05/51/02/1078055102.db2.gz NOCMQZCYINKKST-SFHVURJKSA-N 2 2 403.575 0.516 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000465520325 1078062349 /nfs/dbraw/zinc/06/23/49/1078062349.db2.gz HDFZRQDVIHQZJS-IBGZPJMESA-N 2 2 416.570 0.660 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000465520328 1078062317 /nfs/dbraw/zinc/06/23/17/1078062317.db2.gz HDFZRQDVIHQZJS-LJQANCHMSA-N 2 2 416.570 0.660 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)ccn2)CC1 ZINC000465525859 1078092304 /nfs/dbraw/zinc/09/23/04/1078092304.db2.gz SNYBTARIBGSBDU-LJQANCHMSA-N 2 2 402.543 0.840 20 0 HCADLP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)cn2)CC1 ZINC000465527626 1078101021 /nfs/dbraw/zinc/10/10/21/1078101021.db2.gz QSBBVZZXBDPEQA-IBGZPJMESA-N 2 2 417.602 0.906 20 0 HCADLP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)cn2)CC1 ZINC000465527627 1078101216 /nfs/dbraw/zinc/10/12/16/1078101216.db2.gz QSBBVZZXBDPEQA-LJQANCHMSA-N 2 2 417.602 0.906 20 0 HCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000465537589 1078130234 /nfs/dbraw/zinc/13/02/34/1078130234.db2.gz DSIPRXJNZYBVGM-GOSISDBHSA-N 2 2 410.607 0.550 20 0 HCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000465537590 1078130287 /nfs/dbraw/zinc/13/02/87/1078130287.db2.gz DSIPRXJNZYBVGM-SFHVURJKSA-N 2 2 410.607 0.550 20 0 HCADLP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cn2)CC1 ZINC000465541728 1078198744 /nfs/dbraw/zinc/19/87/44/1078198744.db2.gz JQZYBWKWUUAANR-NRFANRHFSA-N 2 2 420.558 0.106 20 0 HCADLP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cn2)CC1 ZINC000465541729 1078199650 /nfs/dbraw/zinc/19/96/50/1078199650.db2.gz JQZYBWKWUUAANR-OAQYLSRUSA-N 2 2 420.558 0.106 20 0 HCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465543240 1078210714 /nfs/dbraw/zinc/21/07/14/1078210714.db2.gz NCVVEUANZNYXRE-KRWDZBQOSA-N 2 2 424.571 0.317 20 0 HCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465543240 1078210683 /nfs/dbraw/zinc/21/06/83/1078210683.db2.gz NCVVEUANZNYXRE-KRWDZBQOSA-N 2 2 424.571 0.317 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465543247 1078210481 /nfs/dbraw/zinc/21/04/81/1078210481.db2.gz NCVVEUANZNYXRE-QGZVFWFLSA-N 2 2 424.571 0.317 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000465543247 1078210460 /nfs/dbraw/zinc/21/04/60/1078210460.db2.gz NCVVEUANZNYXRE-QGZVFWFLSA-N 2 2 424.571 0.317 20 0 HCADLP C[C@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000465546791 1078306932 /nfs/dbraw/zinc/30/69/32/1078306932.db2.gz LAYCIOUIJAJIDX-DLBZAZTESA-N 2 2 424.571 0.315 20 0 HCADLP C[C@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000465546791 1078306923 /nfs/dbraw/zinc/30/69/23/1078306923.db2.gz LAYCIOUIJAJIDX-DLBZAZTESA-N 2 2 424.571 0.315 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000465546792 1078306998 /nfs/dbraw/zinc/30/69/98/1078306998.db2.gz LAYCIOUIJAJIDX-IAGOWNOFSA-N 2 2 424.571 0.315 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000465546792 1078306994 /nfs/dbraw/zinc/30/69/94/1078306994.db2.gz LAYCIOUIJAJIDX-IAGOWNOFSA-N 2 2 424.571 0.315 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000465546793 1078307030 /nfs/dbraw/zinc/30/70/30/1078307030.db2.gz LAYCIOUIJAJIDX-IRXDYDNUSA-N 2 2 424.571 0.315 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000465546793 1078307029 /nfs/dbraw/zinc/30/70/29/1078307029.db2.gz LAYCIOUIJAJIDX-IRXDYDNUSA-N 2 2 424.571 0.315 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000465546794 1078307036 /nfs/dbraw/zinc/30/70/36/1078307036.db2.gz LAYCIOUIJAJIDX-SJORKVTESA-N 2 2 424.571 0.315 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000465546794 1078307035 /nfs/dbraw/zinc/30/70/35/1078307035.db2.gz LAYCIOUIJAJIDX-SJORKVTESA-N 2 2 424.571 0.315 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000465550645 1078715916 /nfs/dbraw/zinc/71/59/16/1078715916.db2.gz UYYPYZBTVAPMMP-GOSISDBHSA-N 2 2 416.570 0.707 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000465550646 1078716488 /nfs/dbraw/zinc/71/64/88/1078716488.db2.gz UYYPYZBTVAPMMP-SFHVURJKSA-N 2 2 416.570 0.707 20 0 HCADLP C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000465552817 1078903099 /nfs/dbraw/zinc/90/30/99/1078903099.db2.gz VEMVZGYCPRAPTG-DENIHFKCSA-N 2 2 419.570 0.580 20 0 HCADLP C[C@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000465552818 1078903288 /nfs/dbraw/zinc/90/32/88/1078903288.db2.gz VEMVZGYCPRAPTG-KNQAVFIVSA-N 2 2 419.570 0.580 20 0 HCADLP C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000465552819 1078903199 /nfs/dbraw/zinc/90/31/99/1078903199.db2.gz VEMVZGYCPRAPTG-SIKLNZKXSA-N 2 2 419.570 0.580 20 0 HCADLP C[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000465552820 1078903266 /nfs/dbraw/zinc/90/32/66/1078903266.db2.gz VEMVZGYCPRAPTG-UGKGYDQZSA-N 2 2 419.570 0.580 20 0 HCADLP C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)CN1CC[NH+](C)CC1 ZINC000465565389 1079026744 /nfs/dbraw/zinc/02/67/44/1079026744.db2.gz JZFIVDDXQUKZND-GOSISDBHSA-N 2 2 403.575 0.516 20 0 HCADLP C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)CN1CC[NH+](C)CC1 ZINC000465565391 1079026608 /nfs/dbraw/zinc/02/66/08/1079026608.db2.gz JZFIVDDXQUKZND-SFHVURJKSA-N 2 2 403.575 0.516 20 0 HCADLP CCC(CC)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000465565945 1079024396 /nfs/dbraw/zinc/02/43/96/1079024396.db2.gz KVIWJEFTQFPETF-AZUAARDMSA-N 2 2 400.564 0.506 20 0 HCADLP CCC(CC)[C@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000465565946 1079024437 /nfs/dbraw/zinc/02/44/37/1079024437.db2.gz KVIWJEFTQFPETF-ICSRJNTNSA-N 2 2 400.564 0.506 20 0 HCADLP CCC(CC)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000465565947 1079025050 /nfs/dbraw/zinc/02/50/50/1079025050.db2.gz KVIWJEFTQFPETF-QUCCMNQESA-N 2 2 400.564 0.506 20 0 HCADLP CCC(CC)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000465565948 1079024840 /nfs/dbraw/zinc/02/48/40/1079024840.db2.gz KVIWJEFTQFPETF-UYAOXDASSA-N 2 2 400.564 0.506 20 0 HCADLP C[C@@H](CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465572387 1079059819 /nfs/dbraw/zinc/05/98/19/1079059819.db2.gz XXHWPKMBSHTDNI-IBGZPJMESA-N 2 2 418.590 0.171 20 0 HCADLP C[C@H](CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465572400 1079059679 /nfs/dbraw/zinc/05/96/79/1079059679.db2.gz XXHWPKMBSHTDNI-LJQANCHMSA-N 2 2 418.590 0.171 20 0 HCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000465572424 1079059860 /nfs/dbraw/zinc/05/98/60/1079059860.db2.gz NBHKUJBZWTXBBJ-IBGZPJMESA-N 2 2 417.602 0.906 20 0 HCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000465572424 1079059854 /nfs/dbraw/zinc/05/98/54/1079059854.db2.gz NBHKUJBZWTXBBJ-IBGZPJMESA-N 2 2 417.602 0.906 20 0 HCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000465572426 1079059714 /nfs/dbraw/zinc/05/97/14/1079059714.db2.gz NBHKUJBZWTXBBJ-LJQANCHMSA-N 2 2 417.602 0.906 20 0 HCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000465572426 1079059708 /nfs/dbraw/zinc/05/97/08/1079059708.db2.gz NBHKUJBZWTXBBJ-LJQANCHMSA-N 2 2 417.602 0.906 20 0 HCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000465585213 1079381490 /nfs/dbraw/zinc/38/14/90/1079381490.db2.gz MJGVOJNCLGGHOD-IBGZPJMESA-N 2 2 417.558 0.495 20 0 HCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465585214 1079381471 /nfs/dbraw/zinc/38/14/71/1079381471.db2.gz MJGVOJNCLGGHOD-LJQANCHMSA-N 2 2 417.558 0.495 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cn2)CC1 ZINC000465585981 1079378272 /nfs/dbraw/zinc/37/82/72/1079378272.db2.gz WLZUJVGWEVNEBG-IBGZPJMESA-N 2 2 402.543 0.840 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cn2)CC1 ZINC000465585982 1079378302 /nfs/dbraw/zinc/37/83/02/1079378302.db2.gz WLZUJVGWEVNEBG-LJQANCHMSA-N 2 2 402.543 0.840 20 0 HCADLP C[C@@](O)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000465604726 1079498705 /nfs/dbraw/zinc/49/87/05/1079498705.db2.gz PHMAKQCIUNUESS-JOCHJYFZSA-N 2 2 419.570 0.581 20 0 HCADLP C[C@](O)(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000465604727 1079498555 /nfs/dbraw/zinc/49/85/55/1079498555.db2.gz PHMAKQCIUNUESS-QFIPXVFZSA-N 2 2 419.570 0.581 20 0 HCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465643730 1080242467 /nfs/dbraw/zinc/24/24/67/1080242467.db2.gz XQCYGQVWRBZJQO-GOSISDBHSA-N 2 2 405.547 0.351 20 0 HCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465643731 1080242739 /nfs/dbraw/zinc/24/27/39/1080242739.db2.gz XQCYGQVWRBZJQO-SFHVURJKSA-N 2 2 405.547 0.351 20 0 HCADLP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)Cc2ccccc2C1 ZINC000465650052 1080244254 /nfs/dbraw/zinc/24/42/54/1080244254.db2.gz BYNFYOVMVMIDEW-UHFFFAOYSA-N 2 2 423.565 0.997 20 0 HCADLP COCC(=O)N1CCC(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000465662089 1080250092 /nfs/dbraw/zinc/25/00/92/1080250092.db2.gz KBZFOQMONKDFRL-UHFFFAOYSA-N 2 2 409.575 0.873 20 0 HCADLP CCS(=O)(=O)N(C)CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465663351 1080251374 /nfs/dbraw/zinc/25/13/74/1080251374.db2.gz MUVXNXQQCJUOFH-UHFFFAOYSA-N 2 2 417.620 0.908 20 0 HCADLP C[C@@](O)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C[NH+]1CCOCC1 ZINC000465663694 1080251185 /nfs/dbraw/zinc/25/11/85/1080251185.db2.gz TWMDFPYNHVFSQX-GOSISDBHSA-N 2 2 400.589 0.730 20 0 HCADLP C[C@](O)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C[NH+]1CCOCC1 ZINC000465663696 1080251409 /nfs/dbraw/zinc/25/14/09/1080251409.db2.gz TWMDFPYNHVFSQX-SFHVURJKSA-N 2 2 400.589 0.730 20 0 HCADLP CCN(CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)S(C)(=O)=O ZINC000465721599 1080276895 /nfs/dbraw/zinc/27/68/95/1080276895.db2.gz LNCYAIRZJAWHTQ-UHFFFAOYSA-N 2 2 417.620 0.908 20 0 HCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)CCO1 ZINC000465737385 1080292374 /nfs/dbraw/zinc/29/23/74/1080292374.db2.gz IHQUHTFEZQJRAE-AVRDEDQJSA-N 2 2 420.554 0.790 20 0 HCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)CCO1 ZINC000465737385 1080292362 /nfs/dbraw/zinc/29/23/62/1080292362.db2.gz IHQUHTFEZQJRAE-AVRDEDQJSA-N 2 2 420.554 0.790 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)CCO1 ZINC000465737386 1080292532 /nfs/dbraw/zinc/29/25/32/1080292532.db2.gz IHQUHTFEZQJRAE-GCJKJVERSA-N 2 2 420.554 0.790 20 0 HCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)CCO1 ZINC000465737386 1080292526 /nfs/dbraw/zinc/29/25/26/1080292526.db2.gz IHQUHTFEZQJRAE-GCJKJVERSA-N 2 2 420.554 0.790 20 0 HCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)CCO1 ZINC000465737387 1080292315 /nfs/dbraw/zinc/29/23/15/1080292315.db2.gz IHQUHTFEZQJRAE-PGRDOPGGSA-N 2 2 420.554 0.790 20 0 HCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)CCO1 ZINC000465737387 1080292306 /nfs/dbraw/zinc/29/23/06/1080292306.db2.gz IHQUHTFEZQJRAE-PGRDOPGGSA-N 2 2 420.554 0.790 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)CCO1 ZINC000465737388 1080292461 /nfs/dbraw/zinc/29/24/61/1080292461.db2.gz IHQUHTFEZQJRAE-XMSQKQJNSA-N 2 2 420.554 0.790 20 0 HCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)CCO1 ZINC000465737388 1080292451 /nfs/dbraw/zinc/29/24/51/1080292451.db2.gz IHQUHTFEZQJRAE-XMSQKQJNSA-N 2 2 420.554 0.790 20 0 HCADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465763882 1080319034 /nfs/dbraw/zinc/31/90/34/1080319034.db2.gz YJNONJBYXXOKBX-KRWDZBQOSA-N 2 2 415.604 0.660 20 0 HCADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465764483 1080324547 /nfs/dbraw/zinc/32/45/47/1080324547.db2.gz YJNONJBYXXOKBX-QGZVFWFLSA-N 2 2 415.604 0.660 20 0 HCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000465765804 1080325284 /nfs/dbraw/zinc/32/52/84/1080325284.db2.gz VZBBPWOOQQJHOS-HKUYNNGSSA-N 2 2 400.589 0.947 20 0 HCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000465765805 1080325135 /nfs/dbraw/zinc/32/51/35/1080325135.db2.gz VZBBPWOOQQJHOS-IEBWSBKVSA-N 2 2 400.589 0.947 20 0 HCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000465765806 1080325011 /nfs/dbraw/zinc/32/50/11/1080325011.db2.gz VZBBPWOOQQJHOS-MJGOQNOKSA-N 2 2 400.589 0.947 20 0 HCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000465765807 1080325933 /nfs/dbraw/zinc/32/59/33/1080325933.db2.gz VZBBPWOOQQJHOS-PKOBYXMFSA-N 2 2 400.589 0.947 20 0 HCADLP C[C@H](CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000465772307 1080333443 /nfs/dbraw/zinc/33/34/43/1080333443.db2.gz QLYJARYWXYFELT-GOSISDBHSA-N 2 2 403.575 0.516 20 0 HCADLP C[C@@H](CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000465772310 1080333322 /nfs/dbraw/zinc/33/33/22/1080333322.db2.gz QLYJARYWXYFELT-SFHVURJKSA-N 2 2 403.575 0.516 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000465776961 1080334605 /nfs/dbraw/zinc/33/46/05/1080334605.db2.gz WDZPXIRIPHRAET-LJQANCHMSA-N 2 2 402.543 0.840 20 0 HCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000465778036 1080335388 /nfs/dbraw/zinc/33/53/88/1080335388.db2.gz XHMZNCPVULDVMM-IBGZPJMESA-N 2 2 417.602 0.906 20 0 HCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000465778036 1080335378 /nfs/dbraw/zinc/33/53/78/1080335378.db2.gz XHMZNCPVULDVMM-IBGZPJMESA-N 2 2 417.602 0.906 20 0 HCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000465778037 1080335113 /nfs/dbraw/zinc/33/51/13/1080335113.db2.gz XHMZNCPVULDVMM-LJQANCHMSA-N 2 2 417.602 0.906 20 0 HCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000465778037 1080335097 /nfs/dbraw/zinc/33/50/97/1080335097.db2.gz XHMZNCPVULDVMM-LJQANCHMSA-N 2 2 417.602 0.906 20 0 HCADLP Cn1ccnc(N2CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)c1=O ZINC000465804817 1080345815 /nfs/dbraw/zinc/34/58/15/1080345815.db2.gz BBMXMCGBHSCSFD-UHFFFAOYSA-N 2 2 417.558 0.171 20 0 HCADLP C[NH+]1CCC(CNC(=O)NCCN2CCCS2(=O)=O)([NH+]2CCCCC2)CC1 ZINC000465806853 1080347180 /nfs/dbraw/zinc/34/71/80/1080347180.db2.gz DFIHHYHHSNLKNC-UHFFFAOYSA-N 2 2 401.577 0.271 20 0 HCADLP CC(C)NS(=O)(=O)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465806994 1080347206 /nfs/dbraw/zinc/34/72/06/1080347206.db2.gz GWFRRMKMIIBUKH-UHFFFAOYSA-N 2 2 403.593 0.564 20 0 HCADLP Cc1nc(C)n(C[C@@H]2CN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCO2)n1 ZINC000465807067 1080347270 /nfs/dbraw/zinc/34/72/70/1080347270.db2.gz HCBGQCBBSJGULO-FQEVSTJZSA-N 2 2 419.574 0.864 20 0 HCADLP Cc1nc(C)n(C[C@H]2CN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCO2)n1 ZINC000465807177 1080347342 /nfs/dbraw/zinc/34/73/42/1080347342.db2.gz HCBGQCBBSJGULO-HXUWFJFHSA-N 2 2 419.574 0.864 20 0 HCADLP C[C@@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CN1CC[NH+](C)CC1 ZINC000465808986 1080349209 /nfs/dbraw/zinc/34/92/09/1080349209.db2.gz JXUKZDQJHIEBBD-FQEVSTJZSA-N 3 2 417.602 0.776 20 0 HCADLP C[C@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CN1CC[NH+](C)CC1 ZINC000465808993 1080349090 /nfs/dbraw/zinc/34/90/90/1080349090.db2.gz JXUKZDQJHIEBBD-HXUWFJFHSA-N 3 2 417.602 0.776 20 0 HCADLP Cc1cc(N2CC[C@@H](NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2=O)n(C)n1 ZINC000465811311 1080349855 /nfs/dbraw/zinc/34/98/55/1080349855.db2.gz MELGHOPRTMOBIV-GOSISDBHSA-N 2 2 417.558 0.692 20 0 HCADLP Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2=O)n(C)n1 ZINC000465812070 1080350545 /nfs/dbraw/zinc/35/05/45/1080350545.db2.gz MELGHOPRTMOBIV-SFHVURJKSA-N 2 2 417.558 0.692 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cccc(OCC(N)=O)c3)CC2)CC1 ZINC000465816928 1080353441 /nfs/dbraw/zinc/35/34/41/1080353441.db2.gz SLKGBYCIINIETH-UHFFFAOYSA-N 2 2 403.527 0.909 20 0 HCADLP CCN(CC)C(=O)CN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000465817927 1080354925 /nfs/dbraw/zinc/35/49/25/1080354925.db2.gz UATXXDPBIBSQNO-UHFFFAOYSA-N 2 2 422.618 0.741 20 0 HCADLP CC(C)OCCOC[C@@H](O)CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465827119 1080359308 /nfs/dbraw/zinc/35/93/08/1080359308.db2.gz UPSXOLRPYSXKOK-FQEVSTJZSA-N 2 2 414.591 0.989 20 0 HCADLP CC(C)OCCOC[C@H](O)CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465827120 1080360207 /nfs/dbraw/zinc/36/02/07/1080360207.db2.gz UPSXOLRPYSXKOK-HXUWFJFHSA-N 2 2 414.591 0.989 20 0 HCADLP C[NH+]1CCC(CNC(=O)NCCNC(=O)c2cnccn2)([NH+]2CCCCC2)CC1 ZINC000465828551 1080360085 /nfs/dbraw/zinc/36/00/85/1080360085.db2.gz BRCGMLYCRSTDBS-UHFFFAOYSA-N 2 2 403.531 0.456 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465840885 1080368251 /nfs/dbraw/zinc/36/82/51/1080368251.db2.gz KEVRERCOEYRKBC-MOPGFXCFSA-N 2 2 409.575 0.825 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465840885 1080368244 /nfs/dbraw/zinc/36/82/44/1080368244.db2.gz KEVRERCOEYRKBC-MOPGFXCFSA-N 2 2 409.575 0.825 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465840887 1080367896 /nfs/dbraw/zinc/36/78/96/1080367896.db2.gz KEVRERCOEYRKBC-OALUTQOASA-N 2 2 409.575 0.825 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465840887 1080367892 /nfs/dbraw/zinc/36/78/92/1080367892.db2.gz KEVRERCOEYRKBC-OALUTQOASA-N 2 2 409.575 0.825 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465840889 1080368008 /nfs/dbraw/zinc/36/80/08/1080368008.db2.gz KEVRERCOEYRKBC-RBUKOAKNSA-N 2 2 409.575 0.825 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465840889 1080367999 /nfs/dbraw/zinc/36/79/99/1080367999.db2.gz KEVRERCOEYRKBC-RBUKOAKNSA-N 2 2 409.575 0.825 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465840891 1080368197 /nfs/dbraw/zinc/36/81/97/1080368197.db2.gz KEVRERCOEYRKBC-RTBURBONSA-N 2 2 409.575 0.825 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465840891 1080368187 /nfs/dbraw/zinc/36/81/87/1080368187.db2.gz KEVRERCOEYRKBC-RTBURBONSA-N 2 2 409.575 0.825 20 0 HCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000465843013 1080369394 /nfs/dbraw/zinc/36/93/94/1080369394.db2.gz QPRNMRLWVPIBJR-HXUWFJFHSA-N 2 2 417.554 0.984 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000465865496 1080444869 /nfs/dbraw/zinc/44/48/69/1080444869.db2.gz DJUWYEHYSPFGOI-IBGZPJMESA-N 2 2 409.575 0.825 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000465865497 1080445219 /nfs/dbraw/zinc/44/52/19/1080445219.db2.gz DJUWYEHYSPFGOI-LJQANCHMSA-N 2 2 409.575 0.825 20 0 HCADLP C[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465947830 1080572572 /nfs/dbraw/zinc/57/25/72/1080572572.db2.gz ICVIDQFJZJUPGD-IBGZPJMESA-N 3 2 422.618 0.823 20 0 HCADLP C[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465947830 1080572563 /nfs/dbraw/zinc/57/25/63/1080572563.db2.gz ICVIDQFJZJUPGD-IBGZPJMESA-N 3 2 422.618 0.823 20 0 HCADLP C[NH+]1CCC(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465947834 1080572434 /nfs/dbraw/zinc/57/24/34/1080572434.db2.gz ICVIDQFJZJUPGD-LJQANCHMSA-N 3 2 422.618 0.823 20 0 HCADLP C[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465947834 1080572423 /nfs/dbraw/zinc/57/24/23/1080572423.db2.gz ICVIDQFJZJUPGD-LJQANCHMSA-N 3 2 422.618 0.823 20 0 HCADLP CCN(CC)S(=O)(=O)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465948499 1080575832 /nfs/dbraw/zinc/57/58/32/1080575832.db2.gz KXXKJVNQBWOXKQ-UHFFFAOYSA-N 2 2 417.620 0.908 20 0 HCADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000465960264 1080593256 /nfs/dbraw/zinc/59/32/56/1080593256.db2.gz SYPROBUOVNQEQA-PMACEKPBSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000465960264 1080593245 /nfs/dbraw/zinc/59/32/45/1080593245.db2.gz SYPROBUOVNQEQA-PMACEKPBSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000465960264 1080593237 /nfs/dbraw/zinc/59/32/37/1080593237.db2.gz SYPROBUOVNQEQA-PMACEKPBSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000465960264 1080593230 /nfs/dbraw/zinc/59/32/30/1080593230.db2.gz SYPROBUOVNQEQA-PMACEKPBSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000465960268 1080592997 /nfs/dbraw/zinc/59/29/97/1080592997.db2.gz SYPROBUOVNQEQA-UXHICEINSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000465960268 1080592991 /nfs/dbraw/zinc/59/29/91/1080592991.db2.gz SYPROBUOVNQEQA-UXHICEINSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000465960268 1080592987 /nfs/dbraw/zinc/59/29/87/1080592987.db2.gz SYPROBUOVNQEQA-UXHICEINSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000465960268 1080592980 /nfs/dbraw/zinc/59/29/80/1080592980.db2.gz SYPROBUOVNQEQA-UXHICEINSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000465960276 1080593069 /nfs/dbraw/zinc/59/30/69/1080593069.db2.gz SYPROBUOVNQEQA-WOJBJXKFSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000465960276 1080593061 /nfs/dbraw/zinc/59/30/61/1080593061.db2.gz SYPROBUOVNQEQA-WOJBJXKFSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000465960276 1080593053 /nfs/dbraw/zinc/59/30/53/1080593053.db2.gz SYPROBUOVNQEQA-WOJBJXKFSA-N 2 2 417.554 0.774 20 0 HCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000465960276 1080593043 /nfs/dbraw/zinc/59/30/43/1080593043.db2.gz SYPROBUOVNQEQA-WOJBJXKFSA-N 2 2 417.554 0.774 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000465973014 1080618660 /nfs/dbraw/zinc/61/86/60/1080618660.db2.gz NPOQFTSNOTXSLJ-DENIHFKCSA-N 2 2 419.570 0.580 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000465973015 1080618582 /nfs/dbraw/zinc/61/85/82/1080618582.db2.gz NPOQFTSNOTXSLJ-KNQAVFIVSA-N 2 2 419.570 0.580 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000465973016 1080618636 /nfs/dbraw/zinc/61/86/36/1080618636.db2.gz NPOQFTSNOTXSLJ-SIKLNZKXSA-N 2 2 419.570 0.580 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000465973017 1080618692 /nfs/dbraw/zinc/61/86/92/1080618692.db2.gz NPOQFTSNOTXSLJ-UGKGYDQZSA-N 2 2 419.570 0.580 20 0 HCADLP C[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465974518 1080617817 /nfs/dbraw/zinc/61/78/17/1080617817.db2.gz BGCFPTKXALAKJF-PMACEKPBSA-N 2 2 417.602 0.775 20 0 HCADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465974519 1080618003 /nfs/dbraw/zinc/61/80/03/1080618003.db2.gz BGCFPTKXALAKJF-UXHICEINSA-N 2 2 417.602 0.775 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000465974520 1080617753 /nfs/dbraw/zinc/61/77/53/1080617753.db2.gz BGCFPTKXALAKJF-VQTJNVASSA-N 2 2 417.602 0.775 20 0 HCADLP C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCN(C)CC1 ZINC000465974521 1080617981 /nfs/dbraw/zinc/61/79/81/1080617981.db2.gz BGCFPTKXALAKJF-WOJBJXKFSA-N 2 2 417.602 0.775 20 0 HCADLP Cn1cc(N2CC[C@@H](NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2=O)cn1 ZINC000465982828 1080684010 /nfs/dbraw/zinc/68/40/10/1080684010.db2.gz IUDGEXLTYWVLBE-GOSISDBHSA-N 2 2 417.558 0.775 20 0 HCADLP Cn1cc(N2CC[C@H](NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2=O)cn1 ZINC000465982829 1080683908 /nfs/dbraw/zinc/68/39/08/1080683908.db2.gz IUDGEXLTYWVLBE-SFHVURJKSA-N 2 2 417.558 0.775 20 0 HCADLP C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@H+]1C ZINC000466049567 1080852829 /nfs/dbraw/zinc/85/28/29/1080852829.db2.gz LGOYIUWBIHAGGU-DLBZAZTESA-N 2 2 403.531 0.628 20 0 HCADLP C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@@H+]1C ZINC000466049567 1080852824 /nfs/dbraw/zinc/85/28/24/1080852824.db2.gz LGOYIUWBIHAGGU-DLBZAZTESA-N 2 2 403.531 0.628 20 0 HCADLP C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@H+]1C ZINC000466049567 1080852821 /nfs/dbraw/zinc/85/28/21/1080852821.db2.gz LGOYIUWBIHAGGU-DLBZAZTESA-N 2 2 403.531 0.628 20 0 HCADLP C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@@H+]1C ZINC000466049567 1080852818 /nfs/dbraw/zinc/85/28/18/1080852818.db2.gz LGOYIUWBIHAGGU-DLBZAZTESA-N 2 2 403.531 0.628 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@H+]1C ZINC000466049568 1080852699 /nfs/dbraw/zinc/85/26/99/1080852699.db2.gz LGOYIUWBIHAGGU-IAGOWNOFSA-N 2 2 403.531 0.628 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@@H+]1C ZINC000466049568 1080852696 /nfs/dbraw/zinc/85/26/96/1080852696.db2.gz LGOYIUWBIHAGGU-IAGOWNOFSA-N 2 2 403.531 0.628 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@H+]1C ZINC000466049568 1080852687 /nfs/dbraw/zinc/85/26/87/1080852687.db2.gz LGOYIUWBIHAGGU-IAGOWNOFSA-N 2 2 403.531 0.628 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@@H+]1C ZINC000466049568 1080852680 /nfs/dbraw/zinc/85/26/80/1080852680.db2.gz LGOYIUWBIHAGGU-IAGOWNOFSA-N 2 2 403.531 0.628 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@H+]1C ZINC000466049569 1080852765 /nfs/dbraw/zinc/85/27/65/1080852765.db2.gz LGOYIUWBIHAGGU-IRXDYDNUSA-N 2 2 403.531 0.628 20 0 HCADLP 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C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000466262351 1081047873 /nfs/dbraw/zinc/04/78/73/1081047873.db2.gz CFAZQSQEXSUHJZ-WMZOPIPTSA-N 2 2 400.527 0.902 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000466353025 1081101282 /nfs/dbraw/zinc/10/12/82/1081101282.db2.gz PWUINJXCMUMGGX-CABCVRRESA-N 2 2 404.519 0.126 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000466353025 1081101269 /nfs/dbraw/zinc/10/12/69/1081101269.db2.gz PWUINJXCMUMGGX-CABCVRRESA-N 2 2 404.519 0.126 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000466353026 1081101156 /nfs/dbraw/zinc/10/11/56/1081101156.db2.gz PWUINJXCMUMGGX-GJZGRUSLSA-N 2 2 404.519 0.126 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000466353026 1081101147 /nfs/dbraw/zinc/10/11/47/1081101147.db2.gz PWUINJXCMUMGGX-GJZGRUSLSA-N 2 2 404.519 0.126 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000466353027 1081101415 /nfs/dbraw/zinc/10/14/15/1081101415.db2.gz PWUINJXCMUMGGX-HUUCEWRRSA-N 2 2 404.519 0.126 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000466353027 1081101407 /nfs/dbraw/zinc/10/14/07/1081101407.db2.gz PWUINJXCMUMGGX-HUUCEWRRSA-N 2 2 404.519 0.126 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000466353028 1081101346 /nfs/dbraw/zinc/10/13/46/1081101346.db2.gz PWUINJXCMUMGGX-LSDHHAIUSA-N 2 2 404.519 0.126 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000466353028 1081101340 /nfs/dbraw/zinc/10/13/40/1081101340.db2.gz PWUINJXCMUMGGX-LSDHHAIUSA-N 2 2 404.519 0.126 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)[nH+]cn1 ZINC000466353769 1081100486 /nfs/dbraw/zinc/10/04/86/1081100486.db2.gz OVRHCQLXTXONHB-DLBZAZTESA-N 2 2 405.547 0.879 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000466353769 1081100477 /nfs/dbraw/zinc/10/04/77/1081100477.db2.gz OVRHCQLXTXONHB-DLBZAZTESA-N 2 2 405.547 0.879 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)[nH+]cn1 ZINC000466353770 1081100457 /nfs/dbraw/zinc/10/04/57/1081100457.db2.gz OVRHCQLXTXONHB-IAGOWNOFSA-N 2 2 405.547 0.879 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000466353770 1081100447 /nfs/dbraw/zinc/10/04/47/1081100447.db2.gz OVRHCQLXTXONHB-IAGOWNOFSA-N 2 2 405.547 0.879 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)[nH+]cn1 ZINC000466353771 1081100621 /nfs/dbraw/zinc/10/06/21/1081100621.db2.gz OVRHCQLXTXONHB-IRXDYDNUSA-N 2 2 405.547 0.879 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000466353771 1081100618 /nfs/dbraw/zinc/10/06/18/1081100618.db2.gz OVRHCQLXTXONHB-IRXDYDNUSA-N 2 2 405.547 0.879 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)[nH+]cn1 ZINC000466353772 1081100583 /nfs/dbraw/zinc/10/05/83/1081100583.db2.gz OVRHCQLXTXONHB-SJORKVTESA-N 2 2 405.547 0.879 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000466353772 1081100576 /nfs/dbraw/zinc/10/05/76/1081100576.db2.gz OVRHCQLXTXONHB-SJORKVTESA-N 2 2 405.547 0.879 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)CCC2CCOCC2)CC1 ZINC000466484603 1081217386 /nfs/dbraw/zinc/21/73/86/1081217386.db2.gz FPWHRNGVVBOIKV-UHFFFAOYSA-N 2 2 401.515 0.760 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)CCC2CCOCC2)CC1 ZINC000466484603 1081217372 /nfs/dbraw/zinc/21/73/72/1081217372.db2.gz FPWHRNGVVBOIKV-UHFFFAOYSA-N 2 2 401.515 0.760 20 0 HCADLP O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000467203361 1077315894 /nfs/dbraw/zinc/31/58/94/1077315894.db2.gz WTOBBUMWANTBOH-UHFFFAOYSA-N 2 2 400.523 0.737 20 0 HCADLP C[NH+](C)CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000467636540 1078130411 /nfs/dbraw/zinc/13/04/11/1078130411.db2.gz QZHOFFHNIRHFOW-KRWDZBQOSA-N 2 2 409.556 0.024 20 0 HCADLP C[NH+](C)CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000467636541 1078130169 /nfs/dbraw/zinc/13/01/69/1078130169.db2.gz QZHOFFHNIRHFOW-QGZVFWFLSA-N 2 2 409.556 0.024 20 0 HCADLP O=C(NCCC[NH+]1CCOCC1)c1ccc(C(=O)NCCC[NH+]2CCOCC2)o1 ZINC000473663018 1080068823 /nfs/dbraw/zinc/06/88/23/1080068823.db2.gz KDJPGRYMZARDKB-UHFFFAOYSA-N 2 2 408.499 0.184 20 0 HCADLP O=C(NCC[NH+]1CCSCC1)c1ccc(C(=O)NCC[NH+]2CCSCC2)o1 ZINC000473695870 1080072096 /nfs/dbraw/zinc/07/20/96/1080072096.db2.gz WFMMLQSQPQSVEC-UHFFFAOYSA-N 2 2 412.581 0.837 20 0 HCADLP O=C(NCC[NH+]1CCCOCC1)c1ccc(C(=O)NCC[N@H+]2CCCOCC2)o1 ZINC000473776463 1080085165 /nfs/dbraw/zinc/08/51/65/1080085165.db2.gz PRJITLUEEHNCFB-UHFFFAOYSA-N 2 2 408.499 0.184 20 0 HCADLP O=C(NCC[NH+]1CCCOCC1)c1ccc(C(=O)NCC[N@@H+]2CCCOCC2)o1 ZINC000473776463 1080085154 /nfs/dbraw/zinc/08/51/54/1080085154.db2.gz PRJITLUEEHNCFB-UHFFFAOYSA-N 2 2 408.499 0.184 20 0 HCADLP c1nc2nc(=NCC[NH+]3CCSCC3)cc(NCC[NH+]3CCSCC3)n2[nH]1 ZINC000480003722 1081122404 /nfs/dbraw/zinc/12/24/04/1081122404.db2.gz KCORRIYHEJMUSA-UHFFFAOYSA-N 2 2 408.601 0.468 20 0 HCADLP C[C@@](O)(CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C[NH+]1CCOCC1 ZINC000489813338 1073541787 /nfs/dbraw/zinc/54/17/87/1073541787.db2.gz SGSCGUYOVMCSLH-JOCHJYFZSA-N 2 2 420.554 0.526 20 0 HCADLP C[C@](O)(CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C[NH+]1CCOCC1 ZINC000489813340 1073541698 /nfs/dbraw/zinc/54/16/98/1073541698.db2.gz SGSCGUYOVMCSLH-QFIPXVFZSA-N 2 2 420.554 0.526 20 0 HCADLP CCC1(CO)CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000491253129 1075315397 /nfs/dbraw/zinc/31/53/97/1075315397.db2.gz DLCXTLIOZUGMNN-UHFFFAOYSA-N 2 2 401.515 0.496 20 0 HCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)c2)CC1 ZINC000491518802 1077241830 /nfs/dbraw/zinc/24/18/30/1077241830.db2.gz AIYWQOSDFDQMQP-UHFFFAOYSA-N 2 2 405.568 0.538 20 0 HCADLP O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000491552211 1077245198 /nfs/dbraw/zinc/24/51/98/1077245198.db2.gz HZTWJHIBGYGWHY-UHFFFAOYSA-N 2 2 406.552 0.665 20 0 HCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000491612457 1077258390 /nfs/dbraw/zinc/25/83/90/1077258390.db2.gz JMOUDBYBFPUZNC-UHFFFAOYSA-N 2 2 414.466 0.840 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000491899323 1077269058 /nfs/dbraw/zinc/26/90/58/1077269058.db2.gz LAVGJJRLLLVGLQ-DFQSSKMNSA-N 2 2 422.570 0.051 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000491899324 1077269078 /nfs/dbraw/zinc/26/90/78/1077269078.db2.gz LAVGJJRLLLVGLQ-MISYRCLQSA-N 2 2 422.570 0.051 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000491899325 1077269179 /nfs/dbraw/zinc/26/91/79/1077269179.db2.gz LAVGJJRLLLVGLQ-RLLQIKCJSA-N 2 2 422.570 0.051 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000491899326 1077269126 /nfs/dbraw/zinc/26/91/26/1077269126.db2.gz LAVGJJRLLLVGLQ-SXLOBPIMSA-N 2 2 422.570 0.051 20 0 HCADLP COc1ccc(S(=O)(=O)N2CCC([NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000492179239 1077280506 /nfs/dbraw/zinc/28/05/06/1077280506.db2.gz OFMBOGMJIKZLOI-IBGZPJMESA-N 2 2 424.567 0.778 20 0 HCADLP COc1ccc(S(=O)(=O)N2CCC([NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000492179239 1077280502 /nfs/dbraw/zinc/28/05/02/1077280502.db2.gz OFMBOGMJIKZLOI-IBGZPJMESA-N 2 2 424.567 0.778 20 0 HCADLP COc1ccc(S(=O)(=O)N2CCC([NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000492179240 1077280442 /nfs/dbraw/zinc/28/04/42/1077280442.db2.gz OFMBOGMJIKZLOI-LJQANCHMSA-N 2 2 424.567 0.778 20 0 HCADLP COc1ccc(S(=O)(=O)N2CCC([NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000492179240 1077280433 /nfs/dbraw/zinc/28/04/33/1077280433.db2.gz OFMBOGMJIKZLOI-LJQANCHMSA-N 2 2 424.567 0.778 20 0 HCADLP NC(=O)c1cccnc1N1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000492273658 1077285305 /nfs/dbraw/zinc/28/53/05/1077285305.db2.gz TWDSGVGQHKUPCB-UHFFFAOYSA-N 2 2 423.521 0.436 20 0 HCADLP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000492309085 1077286869 /nfs/dbraw/zinc/28/68/69/1077286869.db2.gz NLSPXWQACKRQCF-UHFFFAOYSA-N 2 2 410.540 0.707 20 0 HCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cn1 ZINC000492333053 1077287731 /nfs/dbraw/zinc/28/77/31/1077287731.db2.gz ZAVIFXKDCNVCBB-UHFFFAOYSA-N 2 2 411.470 0.845 20 0 HCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000492631829 1077303411 /nfs/dbraw/zinc/30/34/11/1077303411.db2.gz TZRPTBYCMJSRMV-UHFFFAOYSA-N 2 2 417.598 0.704 20 0 HCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000492631829 1077303406 /nfs/dbraw/zinc/30/34/06/1077303406.db2.gz TZRPTBYCMJSRMV-UHFFFAOYSA-N 2 2 417.598 0.704 20 0 HCADLP COc1ccc(CN2CCN(C(=O)C[N@@H+](C)CCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000492652401 1077304996 /nfs/dbraw/zinc/30/49/96/1077304996.db2.gz CXUPUTRXGOCFSS-UHFFFAOYSA-N 2 2 417.598 0.909 20 0 HCADLP COc1ccc(CN2CCN(C(=O)C[N@H+](C)CCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000492652401 1077304992 /nfs/dbraw/zinc/30/49/92/1077304992.db2.gz CXUPUTRXGOCFSS-UHFFFAOYSA-N 2 2 417.598 0.909 20 0 HCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000492655037 1077304020 /nfs/dbraw/zinc/30/40/20/1077304020.db2.gz HPTUFKWUFSQPCF-KRWDZBQOSA-N 2 2 423.583 0.587 20 0 HCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000492655037 1077304016 /nfs/dbraw/zinc/30/40/16/1077304016.db2.gz HPTUFKWUFSQPCF-KRWDZBQOSA-N 2 2 423.583 0.587 20 0 HCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000492655043 1077303992 /nfs/dbraw/zinc/30/39/92/1077303992.db2.gz HPTUFKWUFSQPCF-QGZVFWFLSA-N 2 2 423.583 0.587 20 0 HCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000492655043 1077303991 /nfs/dbraw/zinc/30/39/91/1077303991.db2.gz HPTUFKWUFSQPCF-QGZVFWFLSA-N 2 2 423.583 0.587 20 0 HCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000492758214 1077312706 /nfs/dbraw/zinc/31/27/06/1077312706.db2.gz UBRBCUJNTWDIAN-KRWDZBQOSA-N 2 2 407.534 0.688 20 0 HCADLP C[C@H](NC(=O)CNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000492758214 1077312701 /nfs/dbraw/zinc/31/27/01/1077312701.db2.gz UBRBCUJNTWDIAN-KRWDZBQOSA-N 2 2 407.534 0.688 20 0 HCADLP C[C@@H](NC(=O)CNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000492758252 1077312757 /nfs/dbraw/zinc/31/27/57/1077312757.db2.gz UBRBCUJNTWDIAN-QGZVFWFLSA-N 2 2 407.534 0.688 20 0 HCADLP C[C@@H](NC(=O)CNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000492758252 1077312754 /nfs/dbraw/zinc/31/27/54/1077312754.db2.gz UBRBCUJNTWDIAN-QGZVFWFLSA-N 2 2 407.534 0.688 20 0 HCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492782336 1077313336 /nfs/dbraw/zinc/31/33/36/1077313336.db2.gz GQQKAUVKHBJZNL-INIZCTEOSA-N 2 2 423.583 0.181 20 0 HCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492782336 1077313332 /nfs/dbraw/zinc/31/33/32/1077313332.db2.gz GQQKAUVKHBJZNL-INIZCTEOSA-N 2 2 423.583 0.181 20 0 HCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492782337 1077313462 /nfs/dbraw/zinc/31/34/62/1077313462.db2.gz GQQKAUVKHBJZNL-MRXNPFEDSA-N 2 2 423.583 0.181 20 0 HCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492782337 1077313456 /nfs/dbraw/zinc/31/34/56/1077313456.db2.gz GQQKAUVKHBJZNL-MRXNPFEDSA-N 2 2 423.583 0.181 20 0 HCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000492854097 1077317400 /nfs/dbraw/zinc/31/74/00/1077317400.db2.gz STKSCXNHLCHPPX-UHFFFAOYSA-N 2 2 417.963 0.495 20 0 HCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000492854097 1077317395 /nfs/dbraw/zinc/31/73/95/1077317395.db2.gz STKSCXNHLCHPPX-UHFFFAOYSA-N 2 2 417.963 0.495 20 0 HCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000492854380 1077317347 /nfs/dbraw/zinc/31/73/47/1077317347.db2.gz UMOCCNTUKCGENQ-UHFFFAOYSA-N 2 2 411.572 0.445 20 0 HCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000492854380 1077317343 /nfs/dbraw/zinc/31/73/43/1077317343.db2.gz UMOCCNTUKCGENQ-UHFFFAOYSA-N 2 2 411.572 0.445 20 0 HCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000492895985 1077318964 /nfs/dbraw/zinc/31/89/64/1077318964.db2.gz URTHCFNTSTWMMK-UHFFFAOYSA-N 2 2 405.543 0.661 20 0 HCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000492895985 1077318958 /nfs/dbraw/zinc/31/89/58/1077318958.db2.gz URTHCFNTSTWMMK-UHFFFAOYSA-N 2 2 405.543 0.661 20 0 HCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1C ZINC000492913126 1077319209 /nfs/dbraw/zinc/31/92/09/1077319209.db2.gz RDDBGNMKXMJCPZ-UHFFFAOYSA-N 2 2 411.572 0.411 20 0 HCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1C ZINC000492913126 1077319204 /nfs/dbraw/zinc/31/92/04/1077319204.db2.gz RDDBGNMKXMJCPZ-UHFFFAOYSA-N 2 2 411.572 0.411 20 0 HCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000492934366 1077319714 /nfs/dbraw/zinc/31/97/14/1077319714.db2.gz BPGDMHOMNIOSLZ-UHFFFAOYSA-N 2 2 406.922 0.824 20 0 HCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000492934366 1077319708 /nfs/dbraw/zinc/31/97/08/1077319708.db2.gz BPGDMHOMNIOSLZ-UHFFFAOYSA-N 2 2 406.922 0.824 20 0 HCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000492935928 1077319580 /nfs/dbraw/zinc/31/95/80/1077319580.db2.gz IGAAQJZHAYZFHV-UHFFFAOYSA-N 2 2 404.494 0.618 20 0 HCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000492935928 1077319573 /nfs/dbraw/zinc/31/95/73/1077319573.db2.gz IGAAQJZHAYZFHV-UHFFFAOYSA-N 2 2 404.494 0.618 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)CC1 ZINC000493371238 1077343966 /nfs/dbraw/zinc/34/39/66/1077343966.db2.gz UTVYTPBNIOKJTP-RBUKOAKNSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493937413 1077378636 /nfs/dbraw/zinc/37/86/36/1077378636.db2.gz QBCCMHKVEXRRDQ-IBGZPJMESA-N 2 2 423.602 0.975 20 0 HCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493937413 1077378632 /nfs/dbraw/zinc/37/86/32/1077378632.db2.gz QBCCMHKVEXRRDQ-IBGZPJMESA-N 2 2 423.602 0.975 20 0 HCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493937414 1077378682 /nfs/dbraw/zinc/37/86/82/1077378682.db2.gz QBCCMHKVEXRRDQ-LJQANCHMSA-N 2 2 423.602 0.975 20 0 HCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493937414 1077378675 /nfs/dbraw/zinc/37/86/75/1077378675.db2.gz QBCCMHKVEXRRDQ-LJQANCHMSA-N 2 2 423.602 0.975 20 0 HCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000494006058 1077386192 /nfs/dbraw/zinc/38/61/92/1077386192.db2.gz FXBMCZIRYZCGTM-INIZCTEOSA-N 2 2 417.510 0.306 20 0 HCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000494006059 1077386288 /nfs/dbraw/zinc/38/62/88/1077386288.db2.gz FXBMCZIRYZCGTM-MRXNPFEDSA-N 2 2 417.510 0.306 20 0 HCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000494176695 1077421465 /nfs/dbraw/zinc/42/14/65/1077421465.db2.gz RDDKMJLWGXEHLS-QZTJIDSGSA-N 2 2 406.531 0.715 20 0 HCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000494176696 1077421580 /nfs/dbraw/zinc/42/15/80/1077421580.db2.gz RDDKMJLWGXEHLS-ROUUACIJSA-N 2 2 406.531 0.715 20 0 HCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000494176697 1077421928 /nfs/dbraw/zinc/42/19/28/1077421928.db2.gz RDDKMJLWGXEHLS-ZWKOTPCHSA-N 2 2 406.531 0.715 20 0 HCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000494190108 1077435741 /nfs/dbraw/zinc/43/57/41/1077435741.db2.gz XYBKJVFLFUFHIY-MOPGFXCFSA-N 2 2 406.531 0.715 20 0 HCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000494190109 1077435900 /nfs/dbraw/zinc/43/59/00/1077435900.db2.gz XYBKJVFLFUFHIY-OALUTQOASA-N 2 2 406.531 0.715 20 0 HCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000494190110 1077435916 /nfs/dbraw/zinc/43/59/16/1077435916.db2.gz XYBKJVFLFUFHIY-RBUKOAKNSA-N 2 2 406.531 0.715 20 0 HCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000494190111 1077435684 /nfs/dbraw/zinc/43/56/84/1077435684.db2.gz XYBKJVFLFUFHIY-RTBURBONSA-N 2 2 406.531 0.715 20 0 HCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494200387 1077440345 /nfs/dbraw/zinc/44/03/45/1077440345.db2.gz DEURVQKOXYJLDY-PMACEKPBSA-N 2 2 417.554 0.438 20 0 HCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494200387 1077440338 /nfs/dbraw/zinc/44/03/38/1077440338.db2.gz DEURVQKOXYJLDY-PMACEKPBSA-N 2 2 417.554 0.438 20 0 HCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494200388 1077440183 /nfs/dbraw/zinc/44/01/83/1077440183.db2.gz DEURVQKOXYJLDY-UXHICEINSA-N 2 2 417.554 0.438 20 0 HCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494200388 1077440174 /nfs/dbraw/zinc/44/01/74/1077440174.db2.gz DEURVQKOXYJLDY-UXHICEINSA-N 2 2 417.554 0.438 20 0 HCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000494203684 1077442387 /nfs/dbraw/zinc/44/23/87/1077442387.db2.gz FCBLSNWWVARZRS-PMACEKPBSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000494203684 1077442378 /nfs/dbraw/zinc/44/23/78/1077442378.db2.gz FCBLSNWWVARZRS-PMACEKPBSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C4CC4)CCO3)CC2)C1 ZINC000494203684 1077442370 /nfs/dbraw/zinc/44/23/70/1077442370.db2.gz FCBLSNWWVARZRS-PMACEKPBSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C4CC4)CCO3)CC2)C1 ZINC000494203684 1077442354 /nfs/dbraw/zinc/44/23/54/1077442354.db2.gz FCBLSNWWVARZRS-PMACEKPBSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000494203685 1077442596 /nfs/dbraw/zinc/44/25/96/1077442596.db2.gz FCBLSNWWVARZRS-UXHICEINSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000494203685 1077442587 /nfs/dbraw/zinc/44/25/87/1077442587.db2.gz FCBLSNWWVARZRS-UXHICEINSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C4CC4)CCO3)CC2)C1 ZINC000494203685 1077442578 /nfs/dbraw/zinc/44/25/78/1077442578.db2.gz FCBLSNWWVARZRS-UXHICEINSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C4CC4)CCO3)CC2)C1 ZINC000494203685 1077442562 /nfs/dbraw/zinc/44/25/62/1077442562.db2.gz FCBLSNWWVARZRS-UXHICEINSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000494203686 1077442864 /nfs/dbraw/zinc/44/28/64/1077442864.db2.gz FCBLSNWWVARZRS-VQTJNVASSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000494203686 1077442856 /nfs/dbraw/zinc/44/28/56/1077442856.db2.gz FCBLSNWWVARZRS-VQTJNVASSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C4CC4)CCO3)CC2)C1 ZINC000494203686 1077442850 /nfs/dbraw/zinc/44/28/50/1077442850.db2.gz FCBLSNWWVARZRS-VQTJNVASSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C4CC4)CCO3)CC2)C1 ZINC000494203686 1077442846 /nfs/dbraw/zinc/44/28/46/1077442846.db2.gz FCBLSNWWVARZRS-VQTJNVASSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)C1 ZINC000494203687 1077442497 /nfs/dbraw/zinc/44/24/97/1077442497.db2.gz FCBLSNWWVARZRS-WOJBJXKFSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)C1 ZINC000494203687 1077442489 /nfs/dbraw/zinc/44/24/89/1077442489.db2.gz FCBLSNWWVARZRS-WOJBJXKFSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C4CC4)CCO3)CC2)C1 ZINC000494203687 1077442479 /nfs/dbraw/zinc/44/24/79/1077442479.db2.gz FCBLSNWWVARZRS-WOJBJXKFSA-N 2 2 409.575 0.286 20 0 HCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C4CC4)CCO3)CC2)C1 ZINC000494203687 1077442466 /nfs/dbraw/zinc/44/24/66/1077442466.db2.gz FCBLSNWWVARZRS-WOJBJXKFSA-N 2 2 409.575 0.286 20 0 HCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)CC1 ZINC000494214626 1077432213 /nfs/dbraw/zinc/43/22/13/1077432213.db2.gz BUJJHMUEBYCMIO-FQEVSTJZSA-N 2 2 421.586 0.825 20 0 HCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)CC1 ZINC000494214626 1077432198 /nfs/dbraw/zinc/43/21/98/1077432198.db2.gz BUJJHMUEBYCMIO-FQEVSTJZSA-N 2 2 421.586 0.825 20 0 HCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)CC1 ZINC000494214627 1077432413 /nfs/dbraw/zinc/43/24/13/1077432413.db2.gz BUJJHMUEBYCMIO-HXUWFJFHSA-N 2 2 421.586 0.825 20 0 HCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)CC1 ZINC000494214627 1077432402 /nfs/dbraw/zinc/43/24/02/1077432402.db2.gz BUJJHMUEBYCMIO-HXUWFJFHSA-N 2 2 421.586 0.825 20 0 HCADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)nc1 ZINC000494225682 1077459259 /nfs/dbraw/zinc/45/92/59/1077459259.db2.gz BVYHYVSCTYTULQ-IBGZPJMESA-N 2 2 402.543 0.838 20 0 HCADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)nc1 ZINC000494225682 1077459243 /nfs/dbraw/zinc/45/92/43/1077459243.db2.gz BVYHYVSCTYTULQ-IBGZPJMESA-N 2 2 402.543 0.838 20 0 HCADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)nc1 ZINC000494225683 1077459615 /nfs/dbraw/zinc/45/96/15/1077459615.db2.gz BVYHYVSCTYTULQ-LJQANCHMSA-N 2 2 402.543 0.838 20 0 HCADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)nc1 ZINC000494225683 1077459609 /nfs/dbraw/zinc/45/96/09/1077459609.db2.gz BVYHYVSCTYTULQ-LJQANCHMSA-N 2 2 402.543 0.838 20 0 HCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000494239925 1077468682 /nfs/dbraw/zinc/46/86/82/1077468682.db2.gz ARJRBYYUTCMQCD-GOSISDBHSA-N 2 2 405.547 0.399 20 0 HCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000494239925 1077468666 /nfs/dbraw/zinc/46/86/66/1077468666.db2.gz ARJRBYYUTCMQCD-GOSISDBHSA-N 2 2 405.547 0.399 20 0 HCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000494239926 1077468741 /nfs/dbraw/zinc/46/87/41/1077468741.db2.gz ARJRBYYUTCMQCD-SFHVURJKSA-N 2 2 405.547 0.399 20 0 HCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000494239926 1077468737 /nfs/dbraw/zinc/46/87/37/1077468737.db2.gz ARJRBYYUTCMQCD-SFHVURJKSA-N 2 2 405.547 0.399 20 0 HCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000494342516 1077502178 /nfs/dbraw/zinc/50/21/78/1077502178.db2.gz YNDPUCWVSDFCPN-FQEVSTJZSA-N 2 2 417.554 0.288 20 0 HCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000494342517 1077502863 /nfs/dbraw/zinc/50/28/63/1077502863.db2.gz YNDPUCWVSDFCPN-HXUWFJFHSA-N 2 2 417.554 0.288 20 0 HCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000494356402 1077510557 /nfs/dbraw/zinc/51/05/57/1077510557.db2.gz KJKJHGNYLZYASV-KRWDZBQOSA-N 2 2 405.499 0.040 20 0 HCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000494356403 1077510775 /nfs/dbraw/zinc/51/07/75/1077510775.db2.gz KJKJHGNYLZYASV-QGZVFWFLSA-N 2 2 405.499 0.040 20 0 HCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000494414871 1077533107 /nfs/dbraw/zinc/53/31/07/1077533107.db2.gz GYBRXKOMQZGUET-FQEVSTJZSA-N 2 2 418.538 0.415 20 0 HCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000494414873 1077533202 /nfs/dbraw/zinc/53/32/02/1077533202.db2.gz GYBRXKOMQZGUET-HXUWFJFHSA-N 2 2 418.538 0.415 20 0 HCADLP COC(=O)C(C)(C)N1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000494418612 1077540375 /nfs/dbraw/zinc/54/03/75/1077540375.db2.gz OQUHTUZWJNDDJG-UHFFFAOYSA-N 2 2 403.527 0.690 20 0 HCADLP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494426704 1077536544 /nfs/dbraw/zinc/53/65/44/1077536544.db2.gz QYTCLHIJZIIKDB-FQEVSTJZSA-N 2 2 421.586 0.873 20 0 HCADLP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494426704 1077536538 /nfs/dbraw/zinc/53/65/38/1077536538.db2.gz QYTCLHIJZIIKDB-FQEVSTJZSA-N 2 2 421.586 0.873 20 0 HCADLP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494426710 1077536579 /nfs/dbraw/zinc/53/65/79/1077536579.db2.gz QYTCLHIJZIIKDB-HXUWFJFHSA-N 2 2 421.586 0.873 20 0 HCADLP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494426710 1077536573 /nfs/dbraw/zinc/53/65/73/1077536573.db2.gz QYTCLHIJZIIKDB-HXUWFJFHSA-N 2 2 421.586 0.873 20 0 HCADLP Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)nc([C@H](C)N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000494432762 1077537945 /nfs/dbraw/zinc/53/79/45/1077537945.db2.gz USEVGMQJYCEHJV-FHWLQOOXSA-N 2 2 406.575 0.347 20 0 HCADLP Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)nc([C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000494432767 1077538213 /nfs/dbraw/zinc/53/82/13/1077538213.db2.gz USEVGMQJYCEHJV-GBESFXJTSA-N 2 2 406.575 0.347 20 0 HCADLP Cc1cc(N2CCN(C(=O)CN3CC[NH+](C[C@H](C)O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000494462205 1077544107 /nfs/dbraw/zinc/54/41/07/1077544107.db2.gz ASRZFSGWGCYZBV-SFHVURJKSA-N 2 2 404.559 0.555 20 0 HCADLP C[C@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000494463073 1077544006 /nfs/dbraw/zinc/54/40/06/1077544006.db2.gz IWVHVJFFUOFBCW-SFHVURJKSA-N 2 2 402.539 0.264 20 0 HCADLP C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000494467084 1077544973 /nfs/dbraw/zinc/54/49/73/1077544973.db2.gz QPWSZLVAZXACNG-OALUTQOASA-N 2 2 404.555 0.522 20 0 HCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000494467085 1077544886 /nfs/dbraw/zinc/54/48/86/1077544886.db2.gz QPWSZLVAZXACNG-RBUKOAKNSA-N 2 2 404.555 0.522 20 0 HCADLP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C[C@H](C)O)CC3)CC2)cc1 ZINC000494468206 1077545079 /nfs/dbraw/zinc/54/50/79/1077545079.db2.gz SCUJSDOQTRBSCL-IBGZPJMESA-N 2 2 404.555 0.728 20 0 HCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C[C@H](C)O)CC3)CC2)cc1 ZINC000494468206 1077545064 /nfs/dbraw/zinc/54/50/64/1077545064.db2.gz SCUJSDOQTRBSCL-IBGZPJMESA-N 2 2 404.555 0.728 20 0 HCADLP C[NH+]1CCC(CNC(=O)N2CCN(C(C)(C)C(N)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000494556316 1077556723 /nfs/dbraw/zinc/55/67/23/1077556723.db2.gz DMUBAAHTRZCBFB-UHFFFAOYSA-N 2 2 408.591 0.528 20 0 HCADLP C[NH+]1CCC(CNC(=O)N2CCN(c3nc(N)ns3)CC2)([NH+]2CCCCC2)CC1 ZINC000494556964 1077556896 /nfs/dbraw/zinc/55/68/96/1077556896.db2.gz HCZYQQHFMPIKJN-UHFFFAOYSA-N 2 2 422.603 0.902 20 0 HCADLP Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000494643181 1077578169 /nfs/dbraw/zinc/57/81/69/1077578169.db2.gz OCZZMJGSNRKWTN-HNNXBMFYSA-N 2 2 415.523 0.705 20 0 HCADLP Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000494643182 1077578089 /nfs/dbraw/zinc/57/80/89/1077578089.db2.gz OCZZMJGSNRKWTN-OAHLLOKOSA-N 2 2 415.523 0.705 20 0 HCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494663039 1077580025 /nfs/dbraw/zinc/58/00/25/1077580025.db2.gz DEAPCJBHFDJLNP-GOSISDBHSA-N 2 2 417.558 0.493 20 0 HCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494663039 1077580018 /nfs/dbraw/zinc/58/00/18/1077580018.db2.gz DEAPCJBHFDJLNP-GOSISDBHSA-N 2 2 417.558 0.493 20 0 HCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494663040 1077579996 /nfs/dbraw/zinc/57/99/96/1077579996.db2.gz DEAPCJBHFDJLNP-SFHVURJKSA-N 2 2 417.558 0.493 20 0 HCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494663040 1077579989 /nfs/dbraw/zinc/57/99/89/1077579989.db2.gz DEAPCJBHFDJLNP-SFHVURJKSA-N 2 2 417.558 0.493 20 0 HCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000494677461 1077584745 /nfs/dbraw/zinc/58/47/45/1077584745.db2.gz ACWHZZNGFBQQFF-SFHVURJKSA-N 2 2 405.547 0.087 20 0 HCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684848 1077588085 /nfs/dbraw/zinc/58/80/85/1077588085.db2.gz GOWIKWUIHWZECL-GDBMZVCRSA-N 2 2 420.518 0.614 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684848 1077588077 /nfs/dbraw/zinc/58/80/77/1077588077.db2.gz GOWIKWUIHWZECL-GDBMZVCRSA-N 2 2 420.518 0.614 20 0 HCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684863 1077588133 /nfs/dbraw/zinc/58/81/33/1077588133.db2.gz GOWIKWUIHWZECL-GOEBONIOSA-N 2 2 420.518 0.614 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684863 1077588128 /nfs/dbraw/zinc/58/81/28/1077588128.db2.gz GOWIKWUIHWZECL-GOEBONIOSA-N 2 2 420.518 0.614 20 0 HCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684864 1077588167 /nfs/dbraw/zinc/58/81/67/1077588167.db2.gz GOWIKWUIHWZECL-HOCLYGCPSA-N 2 2 420.518 0.614 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684864 1077588161 /nfs/dbraw/zinc/58/81/61/1077588161.db2.gz GOWIKWUIHWZECL-HOCLYGCPSA-N 2 2 420.518 0.614 20 0 HCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684866 1077588201 /nfs/dbraw/zinc/58/82/01/1077588201.db2.gz GOWIKWUIHWZECL-ZBFHGGJFSA-N 2 2 420.518 0.614 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1 ZINC000494684866 1077588195 /nfs/dbraw/zinc/58/81/95/1077588195.db2.gz GOWIKWUIHWZECL-ZBFHGGJFSA-N 2 2 420.518 0.614 20 0 HCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000494685132 1077588870 /nfs/dbraw/zinc/58/88/70/1077588870.db2.gz IEUHDGSSCFJCDA-NRFANRHFSA-N 2 2 416.566 0.994 20 0 HCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000494685133 1077588605 /nfs/dbraw/zinc/58/86/05/1077588605.db2.gz IEUHDGSSCFJCDA-OAQYLSRUSA-N 2 2 416.566 0.994 20 0 HCADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000494694485 1077590595 /nfs/dbraw/zinc/59/05/95/1077590595.db2.gz ACWHZZNGFBQQFF-GOSISDBHSA-N 2 2 405.547 0.087 20 0 HCADLP O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000494717653 1077597944 /nfs/dbraw/zinc/59/79/44/1077597944.db2.gz KBGOLAQNNFAFFY-FQEVSTJZSA-N 2 2 416.566 0.789 20 0 HCADLP O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000494717654 1077598030 /nfs/dbraw/zinc/59/80/30/1077598030.db2.gz KBGOLAQNNFAFFY-HXUWFJFHSA-N 2 2 416.566 0.789 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494717774 1077597398 /nfs/dbraw/zinc/59/73/98/1077597398.db2.gz GFNHWADJLCHLIZ-IBGZPJMESA-N 2 2 408.568 0.912 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494717774 1077597383 /nfs/dbraw/zinc/59/73/83/1077597383.db2.gz GFNHWADJLCHLIZ-IBGZPJMESA-N 2 2 408.568 0.912 20 0 HCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494717775 1077597236 /nfs/dbraw/zinc/59/72/36/1077597236.db2.gz GFNHWADJLCHLIZ-LJQANCHMSA-N 2 2 408.568 0.912 20 0 HCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494717775 1077597216 /nfs/dbraw/zinc/59/72/16/1077597216.db2.gz GFNHWADJLCHLIZ-LJQANCHMSA-N 2 2 408.568 0.912 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494731734 1077599306 /nfs/dbraw/zinc/59/93/06/1077599306.db2.gz VTOZTBWJKYPCAF-NEWSRXKRSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494731734 1077599296 /nfs/dbraw/zinc/59/92/96/1077599296.db2.gz VTOZTBWJKYPCAF-NEWSRXKRSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494731734 1077599287 /nfs/dbraw/zinc/59/92/87/1077599287.db2.gz VTOZTBWJKYPCAF-NEWSRXKRSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494731734 1077599276 /nfs/dbraw/zinc/59/92/76/1077599276.db2.gz VTOZTBWJKYPCAF-NEWSRXKRSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494731735 1077599707 /nfs/dbraw/zinc/59/97/07/1077599707.db2.gz VTOZTBWJKYPCAF-QRQLOZEOSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494731735 1077599691 /nfs/dbraw/zinc/59/96/91/1077599691.db2.gz VTOZTBWJKYPCAF-QRQLOZEOSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494731735 1077599680 /nfs/dbraw/zinc/59/96/80/1077599680.db2.gz VTOZTBWJKYPCAF-QRQLOZEOSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494731735 1077599660 /nfs/dbraw/zinc/59/96/60/1077599660.db2.gz VTOZTBWJKYPCAF-QRQLOZEOSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494731736 1077599508 /nfs/dbraw/zinc/59/95/08/1077599508.db2.gz VTOZTBWJKYPCAF-UHOSZYNNSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494731736 1077599498 /nfs/dbraw/zinc/59/94/98/1077599498.db2.gz VTOZTBWJKYPCAF-UHOSZYNNSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494731736 1077599485 /nfs/dbraw/zinc/59/94/85/1077599485.db2.gz VTOZTBWJKYPCAF-UHOSZYNNSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494731736 1077599472 /nfs/dbraw/zinc/59/94/72/1077599472.db2.gz VTOZTBWJKYPCAF-UHOSZYNNSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494731737 1077599151 /nfs/dbraw/zinc/59/91/51/1077599151.db2.gz VTOZTBWJKYPCAF-WDSOQIARSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494731737 1077599142 /nfs/dbraw/zinc/59/91/42/1077599142.db2.gz VTOZTBWJKYPCAF-WDSOQIARSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494731737 1077599136 /nfs/dbraw/zinc/59/91/36/1077599136.db2.gz VTOZTBWJKYPCAF-WDSOQIARSA-N 2 2 408.568 0.779 20 0 HCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000494731737 1077599132 /nfs/dbraw/zinc/59/91/32/1077599132.db2.gz VTOZTBWJKYPCAF-WDSOQIARSA-N 2 2 408.568 0.779 20 0 HCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494805479 1077641323 /nfs/dbraw/zinc/64/13/23/1077641323.db2.gz TZELVWRTCKTEON-FQEVSTJZSA-N 2 2 401.511 0.786 20 0 HCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494805479 1077641321 /nfs/dbraw/zinc/64/13/21/1077641321.db2.gz TZELVWRTCKTEON-FQEVSTJZSA-N 2 2 401.511 0.786 20 0 HCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494805480 1077641119 /nfs/dbraw/zinc/64/11/19/1077641119.db2.gz TZELVWRTCKTEON-HXUWFJFHSA-N 2 2 401.511 0.786 20 0 HCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494805480 1077641112 /nfs/dbraw/zinc/64/11/12/1077641112.db2.gz TZELVWRTCKTEON-HXUWFJFHSA-N 2 2 401.511 0.786 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)O1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000494839946 1077656602 /nfs/dbraw/zinc/65/66/02/1077656602.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)O1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000494839946 1077656592 /nfs/dbraw/zinc/65/65/92/1077656592.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)O1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000494839946 1077656584 /nfs/dbraw/zinc/65/65/84/1077656584.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)O1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000494839946 1077656570 /nfs/dbraw/zinc/65/65/70/1077656570.db2.gz ZVDQOKFYVFWFHW-FGYAAKKASA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)O1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000494839949 1077656689 /nfs/dbraw/zinc/65/66/89/1077656689.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)O1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000494839949 1077656687 /nfs/dbraw/zinc/65/66/87/1077656687.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)O1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000494839949 1077656685 /nfs/dbraw/zinc/65/66/85/1077656685.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)O1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000494839949 1077656683 /nfs/dbraw/zinc/65/66/83/1077656683.db2.gz ZVDQOKFYVFWFHW-JVSBHGNQSA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)O1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000494839951 1077656640 /nfs/dbraw/zinc/65/66/40/1077656640.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)O1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000494839951 1077656639 /nfs/dbraw/zinc/65/66/39/1077656639.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)O1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000494839951 1077656638 /nfs/dbraw/zinc/65/66/38/1077656638.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)O1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000494839951 1077656637 /nfs/dbraw/zinc/65/66/37/1077656637.db2.gz ZVDQOKFYVFWFHW-LWYYNNOASA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)O1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000494839953 1077656672 /nfs/dbraw/zinc/65/66/72/1077656672.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)O1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000494839953 1077656671 /nfs/dbraw/zinc/65/66/71/1077656671.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)O1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000494839953 1077656670 /nfs/dbraw/zinc/65/66/70/1077656670.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 2 2 404.555 0.927 20 0 HCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)O1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000494839953 1077656669 /nfs/dbraw/zinc/65/66/69/1077656669.db2.gz ZVDQOKFYVFWFHW-WTGUMLROSA-N 2 2 404.555 0.927 20 0 HCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000494909153 1077671604 /nfs/dbraw/zinc/67/16/04/1077671604.db2.gz LUDZFAICYUVEQV-IBGZPJMESA-N 2 2 419.574 0.789 20 0 HCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000494909153 1077671597 /nfs/dbraw/zinc/67/15/97/1077671597.db2.gz LUDZFAICYUVEQV-IBGZPJMESA-N 2 2 419.574 0.789 20 0 HCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000494909154 1077671678 /nfs/dbraw/zinc/67/16/78/1077671678.db2.gz LUDZFAICYUVEQV-LJQANCHMSA-N 2 2 419.574 0.789 20 0 HCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000494909154 1077671672 /nfs/dbraw/zinc/67/16/72/1077671672.db2.gz LUDZFAICYUVEQV-LJQANCHMSA-N 2 2 419.574 0.789 20 0 HCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000494910612 1077672255 /nfs/dbraw/zinc/67/22/55/1077672255.db2.gz RGNFMLWPRLDFSK-IBGZPJMESA-N 2 2 405.543 0.888 20 0 HCADLP CC[C@H]1C[N@H+](CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000494910612 1077672249 /nfs/dbraw/zinc/67/22/49/1077672249.db2.gz RGNFMLWPRLDFSK-IBGZPJMESA-N 2 2 405.543 0.888 20 0 HCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000494910618 1077672233 /nfs/dbraw/zinc/67/22/33/1077672233.db2.gz RGNFMLWPRLDFSK-LJQANCHMSA-N 2 2 405.543 0.888 20 0 HCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000494910618 1077672223 /nfs/dbraw/zinc/67/22/23/1077672223.db2.gz RGNFMLWPRLDFSK-LJQANCHMSA-N 2 2 405.543 0.888 20 0 HCADLP CNC(=O)CCOC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000494937795 1077680936 /nfs/dbraw/zinc/68/09/36/1077680936.db2.gz FXYQSHVNAKTJJP-UHFFFAOYSA-N 2 2 424.586 0.755 20 0 HCADLP CNC(=O)CCOC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000494956608 1077683562 /nfs/dbraw/zinc/68/35/62/1077683562.db2.gz DIRFPMMWVNZVMR-KRWDZBQOSA-N 2 2 403.527 0.736 20 0 HCADLP CNC(=O)CCOC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000494956609 1077683371 /nfs/dbraw/zinc/68/33/71/1077683371.db2.gz DIRFPMMWVNZVMR-QGZVFWFLSA-N 2 2 403.527 0.736 20 0 HCADLP CNC(=O)CCOC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000494963692 1077688783 /nfs/dbraw/zinc/68/87/83/1077688783.db2.gz ZJZIVMVWFZQDJL-UHFFFAOYSA-N 2 2 402.539 0.948 20 0 HCADLP CNC(=O)CCOC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000494970412 1077687378 /nfs/dbraw/zinc/68/73/78/1077687378.db2.gz HPRIFVJECYUBKE-UHFFFAOYSA-N 2 2 403.527 0.737 20 0 HCADLP CCOC(=O)C1(O)CC[NH+](CC(C)C[NH+]2CCC(O)(C(=O)OCC)CC2)CC1 ZINC000495052732 1077722864 /nfs/dbraw/zinc/72/28/64/1077722864.db2.gz YTRDCYZZKQNESW-UHFFFAOYSA-N 2 2 400.516 0.403 20 0 HCADLP CN(C(=O)[C@@H](O)CCc1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000495099892 1077737788 /nfs/dbraw/zinc/73/77/88/1077737788.db2.gz QFZNOMJWQATLNY-NRFANRHFSA-N 2 2 416.566 0.677 20 0 HCADLP CN(C(=O)[C@H](O)CCc1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000495099894 1077737756 /nfs/dbraw/zinc/73/77/56/1077737756.db2.gz QFZNOMJWQATLNY-OAQYLSRUSA-N 2 2 416.566 0.677 20 0 HCADLP CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000495175476 1077749325 /nfs/dbraw/zinc/74/93/25/1077749325.db2.gz PPEGQYLURIVIRZ-CABCVRRESA-N 2 2 411.547 0.301 20 0 HCADLP CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000495175526 1077749374 /nfs/dbraw/zinc/74/93/74/1077749374.db2.gz PPEGQYLURIVIRZ-GJZGRUSLSA-N 2 2 411.547 0.301 20 0 HCADLP CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000495175529 1077749355 /nfs/dbraw/zinc/74/93/55/1077749355.db2.gz PPEGQYLURIVIRZ-HUUCEWRRSA-N 2 2 411.547 0.301 20 0 HCADLP CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000495175532 1077749443 /nfs/dbraw/zinc/74/94/43/1077749443.db2.gz PPEGQYLURIVIRZ-LSDHHAIUSA-N 2 2 411.547 0.301 20 0 HCADLP C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000495212213 1077758622 /nfs/dbraw/zinc/75/86/22/1077758622.db2.gz LLABQYUNZGFCMK-FOIQADDNSA-N 2 2 401.515 0.495 20 0 HCADLP C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000495212213 1077758610 /nfs/dbraw/zinc/75/86/10/1077758610.db2.gz LLABQYUNZGFCMK-FOIQADDNSA-N 2 2 401.515 0.495 20 0 HCADLP C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000495212214 1077758536 /nfs/dbraw/zinc/75/85/36/1077758536.db2.gz LLABQYUNZGFCMK-MGPUTAFESA-N 2 2 401.515 0.495 20 0 HCADLP C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000495212214 1077758527 /nfs/dbraw/zinc/75/85/27/1077758527.db2.gz LLABQYUNZGFCMK-MGPUTAFESA-N 2 2 401.515 0.495 20 0 HCADLP C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000495212215 1077758408 /nfs/dbraw/zinc/75/84/08/1077758408.db2.gz LLABQYUNZGFCMK-QRWLVFNGSA-N 2 2 401.515 0.495 20 0 HCADLP C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000495212215 1077758397 /nfs/dbraw/zinc/75/83/97/1077758397.db2.gz LLABQYUNZGFCMK-QRWLVFNGSA-N 2 2 401.515 0.495 20 0 HCADLP C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000495212216 1077759112 /nfs/dbraw/zinc/75/91/12/1077759112.db2.gz LLABQYUNZGFCMK-YWZLYKJASA-N 2 2 401.515 0.495 20 0 HCADLP C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000495212216 1077759107 /nfs/dbraw/zinc/75/91/07/1077759107.db2.gz LLABQYUNZGFCMK-YWZLYKJASA-N 2 2 401.515 0.495 20 0 HCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495265786 1077786159 /nfs/dbraw/zinc/78/61/59/1077786159.db2.gz CJPJPLJDRHEFHX-KRWDZBQOSA-N 2 2 405.547 0.921 20 0 HCADLP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495265786 1077786150 /nfs/dbraw/zinc/78/61/50/1077786150.db2.gz CJPJPLJDRHEFHX-KRWDZBQOSA-N 2 2 405.547 0.921 20 0 HCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495265786 1077786145 /nfs/dbraw/zinc/78/61/45/1077786145.db2.gz CJPJPLJDRHEFHX-KRWDZBQOSA-N 2 2 405.547 0.921 20 0 HCADLP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495265786 1077786137 /nfs/dbraw/zinc/78/61/37/1077786137.db2.gz CJPJPLJDRHEFHX-KRWDZBQOSA-N 2 2 405.547 0.921 20 0 HCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495265789 1077786290 /nfs/dbraw/zinc/78/62/90/1077786290.db2.gz CJPJPLJDRHEFHX-QGZVFWFLSA-N 2 2 405.547 0.921 20 0 HCADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495265789 1077786282 /nfs/dbraw/zinc/78/62/82/1077786282.db2.gz CJPJPLJDRHEFHX-QGZVFWFLSA-N 2 2 405.547 0.921 20 0 HCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495265789 1077786274 /nfs/dbraw/zinc/78/62/74/1077786274.db2.gz CJPJPLJDRHEFHX-QGZVFWFLSA-N 2 2 405.547 0.921 20 0 HCADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495265789 1077786265 /nfs/dbraw/zinc/78/62/65/1077786265.db2.gz CJPJPLJDRHEFHX-QGZVFWFLSA-N 2 2 405.547 0.921 20 0 HCADLP COCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495268338 1077788484 /nfs/dbraw/zinc/78/84/84/1077788484.db2.gz VMHSREZMTCAGDY-KRWDZBQOSA-N 2 2 421.546 0.159 20 0 HCADLP COCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495268338 1077788477 /nfs/dbraw/zinc/78/84/77/1077788477.db2.gz VMHSREZMTCAGDY-KRWDZBQOSA-N 2 2 421.546 0.159 20 0 HCADLP COCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495268338 1077788469 /nfs/dbraw/zinc/78/84/69/1077788469.db2.gz VMHSREZMTCAGDY-KRWDZBQOSA-N 2 2 421.546 0.159 20 0 HCADLP COCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495268338 1077788457 /nfs/dbraw/zinc/78/84/57/1077788457.db2.gz VMHSREZMTCAGDY-KRWDZBQOSA-N 2 2 421.546 0.159 20 0 HCADLP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495268339 1077788310 /nfs/dbraw/zinc/78/83/10/1077788310.db2.gz VMHSREZMTCAGDY-QGZVFWFLSA-N 2 2 421.546 0.159 20 0 HCADLP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495268339 1077788304 /nfs/dbraw/zinc/78/83/04/1077788304.db2.gz VMHSREZMTCAGDY-QGZVFWFLSA-N 2 2 421.546 0.159 20 0 HCADLP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495268339 1077788295 /nfs/dbraw/zinc/78/82/95/1077788295.db2.gz VMHSREZMTCAGDY-QGZVFWFLSA-N 2 2 421.546 0.159 20 0 HCADLP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495268339 1077788291 /nfs/dbraw/zinc/78/82/91/1077788291.db2.gz VMHSREZMTCAGDY-QGZVFWFLSA-N 2 2 421.546 0.159 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495406200 1077828352 /nfs/dbraw/zinc/82/83/52/1077828352.db2.gz ACAMKVHYTOEMSL-NRFANRHFSA-N 2 2 405.539 0.656 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495406201 1077828553 /nfs/dbraw/zinc/82/85/53/1077828553.db2.gz ACAMKVHYTOEMSL-OAQYLSRUSA-N 2 2 405.539 0.656 20 0 HCADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495407908 1077827643 /nfs/dbraw/zinc/82/76/43/1077827643.db2.gz JWUADXDIGLUBKC-GOSISDBHSA-N 2 2 417.558 0.923 20 0 HCADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495407908 1077827640 /nfs/dbraw/zinc/82/76/40/1077827640.db2.gz JWUADXDIGLUBKC-GOSISDBHSA-N 2 2 417.558 0.923 20 0 HCADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495407909 1077827578 /nfs/dbraw/zinc/82/75/78/1077827578.db2.gz JWUADXDIGLUBKC-SFHVURJKSA-N 2 2 417.558 0.923 20 0 HCADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495407909 1077827575 /nfs/dbraw/zinc/82/75/75/1077827575.db2.gz JWUADXDIGLUBKC-SFHVURJKSA-N 2 2 417.558 0.923 20 0 HCADLP C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495408488 1077827652 /nfs/dbraw/zinc/82/76/52/1077827652.db2.gz LLTSPIOKJXWONY-KRWDZBQOSA-N 2 2 403.531 0.675 20 0 HCADLP C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495408488 1077827651 /nfs/dbraw/zinc/82/76/51/1077827651.db2.gz LLTSPIOKJXWONY-KRWDZBQOSA-N 2 2 403.531 0.675 20 0 HCADLP C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495408489 1077827584 /nfs/dbraw/zinc/82/75/84/1077827584.db2.gz LLTSPIOKJXWONY-QGZVFWFLSA-N 2 2 403.531 0.675 20 0 HCADLP C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495408489 1077827583 /nfs/dbraw/zinc/82/75/83/1077827583.db2.gz LLTSPIOKJXWONY-QGZVFWFLSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000495409779 1077827823 /nfs/dbraw/zinc/82/78/23/1077827823.db2.gz PWGUSTOSGOJWCE-INIZCTEOSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000495409779 1077827822 /nfs/dbraw/zinc/82/78/22/1077827822.db2.gz PWGUSTOSGOJWCE-INIZCTEOSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000495409779 1077827818 /nfs/dbraw/zinc/82/78/18/1077827818.db2.gz PWGUSTOSGOJWCE-INIZCTEOSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000495409779 1077827817 /nfs/dbraw/zinc/82/78/17/1077827817.db2.gz PWGUSTOSGOJWCE-INIZCTEOSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+](CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000495409780 1077827784 /nfs/dbraw/zinc/82/77/84/1077827784.db2.gz PWGUSTOSGOJWCE-MRXNPFEDSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+](CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000495409780 1077827783 /nfs/dbraw/zinc/82/77/83/1077827783.db2.gz PWGUSTOSGOJWCE-MRXNPFEDSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+](CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000495409780 1077827782 /nfs/dbraw/zinc/82/77/82/1077827782.db2.gz PWGUSTOSGOJWCE-MRXNPFEDSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+](CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000495409780 1077827780 /nfs/dbraw/zinc/82/77/80/1077827780.db2.gz PWGUSTOSGOJWCE-MRXNPFEDSA-N 2 2 403.531 0.675 20 0 HCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495413037 1077829377 /nfs/dbraw/zinc/82/93/77/1077829377.db2.gz CUQDYKDVOQTXJS-DLBZAZTESA-N 2 2 405.547 0.921 20 0 HCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495413037 1077829376 /nfs/dbraw/zinc/82/93/76/1077829376.db2.gz CUQDYKDVOQTXJS-DLBZAZTESA-N 2 2 405.547 0.921 20 0 HCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495413040 1077829370 /nfs/dbraw/zinc/82/93/70/1077829370.db2.gz CUQDYKDVOQTXJS-IAGOWNOFSA-N 2 2 405.547 0.921 20 0 HCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495413040 1077829369 /nfs/dbraw/zinc/82/93/69/1077829369.db2.gz CUQDYKDVOQTXJS-IAGOWNOFSA-N 2 2 405.547 0.921 20 0 HCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495413041 1077829429 /nfs/dbraw/zinc/82/94/29/1077829429.db2.gz CUQDYKDVOQTXJS-IRXDYDNUSA-N 2 2 405.547 0.921 20 0 HCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495413041 1077829428 /nfs/dbraw/zinc/82/94/28/1077829428.db2.gz CUQDYKDVOQTXJS-IRXDYDNUSA-N 2 2 405.547 0.921 20 0 HCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495413042 1077829419 /nfs/dbraw/zinc/82/94/19/1077829419.db2.gz CUQDYKDVOQTXJS-SJORKVTESA-N 2 2 405.547 0.921 20 0 HCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495413042 1077829416 /nfs/dbraw/zinc/82/94/16/1077829416.db2.gz CUQDYKDVOQTXJS-SJORKVTESA-N 2 2 405.547 0.921 20 0 HCADLP C[N@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495420319 1077830664 /nfs/dbraw/zinc/83/06/64/1077830664.db2.gz GXBTVAQUSZQANJ-KRWDZBQOSA-N 2 2 403.531 0.629 20 0 HCADLP C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495420319 1077830661 /nfs/dbraw/zinc/83/06/61/1077830661.db2.gz GXBTVAQUSZQANJ-KRWDZBQOSA-N 2 2 403.531 0.629 20 0 HCADLP C[N@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495420319 1077830660 /nfs/dbraw/zinc/83/06/60/1077830660.db2.gz GXBTVAQUSZQANJ-KRWDZBQOSA-N 2 2 403.531 0.629 20 0 HCADLP C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495420319 1077830658 /nfs/dbraw/zinc/83/06/58/1077830658.db2.gz GXBTVAQUSZQANJ-KRWDZBQOSA-N 2 2 403.531 0.629 20 0 HCADLP C[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495420320 1077830602 /nfs/dbraw/zinc/83/06/02/1077830602.db2.gz GXBTVAQUSZQANJ-QGZVFWFLSA-N 2 2 403.531 0.629 20 0 HCADLP C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000495420320 1077830601 /nfs/dbraw/zinc/83/06/01/1077830601.db2.gz GXBTVAQUSZQANJ-QGZVFWFLSA-N 2 2 403.531 0.629 20 0 HCADLP C[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495420320 1077830599 /nfs/dbraw/zinc/83/05/99/1077830599.db2.gz GXBTVAQUSZQANJ-QGZVFWFLSA-N 2 2 403.531 0.629 20 0 HCADLP C[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000495420320 1077830597 /nfs/dbraw/zinc/83/05/97/1077830597.db2.gz GXBTVAQUSZQANJ-QGZVFWFLSA-N 2 2 403.531 0.629 20 0 HCADLP CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495428811 1077830322 /nfs/dbraw/zinc/83/03/22/1077830322.db2.gz ZQOCWJMRLKBDAB-KRWDZBQOSA-N 2 2 405.547 0.923 20 0 HCADLP CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495428811 1077830320 /nfs/dbraw/zinc/83/03/20/1077830320.db2.gz ZQOCWJMRLKBDAB-KRWDZBQOSA-N 2 2 405.547 0.923 20 0 HCADLP CC[NH+](CC)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495428812 1077830358 /nfs/dbraw/zinc/83/03/58/1077830358.db2.gz ZQOCWJMRLKBDAB-QGZVFWFLSA-N 2 2 405.547 0.923 20 0 HCADLP CC[NH+](CC)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495428812 1077830356 /nfs/dbraw/zinc/83/03/56/1077830356.db2.gz ZQOCWJMRLKBDAB-QGZVFWFLSA-N 2 2 405.547 0.923 20 0 HCADLP O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000495473617 1077834111 /nfs/dbraw/zinc/83/41/11/1077834111.db2.gz IHFFVJPABOUJGU-UHFFFAOYSA-N 2 2 412.538 0.940 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000495786831 1077890386 /nfs/dbraw/zinc/89/03/86/1077890386.db2.gz BMZJKLOOLOZCSR-UHFFFAOYSA-N 2 2 401.511 0.836 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000495786831 1077890383 /nfs/dbraw/zinc/89/03/83/1077890383.db2.gz BMZJKLOOLOZCSR-UHFFFAOYSA-N 2 2 401.511 0.836 20 0 HCADLP C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C2=O ZINC000495788762 1077893323 /nfs/dbraw/zinc/89/33/23/1077893323.db2.gz MBEXMPVYPFQWHK-HRAATJIYSA-N 2 2 407.559 0.972 20 0 HCADLP C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C2=O ZINC000495788762 1077893318 /nfs/dbraw/zinc/89/33/18/1077893318.db2.gz MBEXMPVYPFQWHK-HRAATJIYSA-N 2 2 407.559 0.972 20 0 HCADLP C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C2=O ZINC000495788763 1077893387 /nfs/dbraw/zinc/89/33/87/1077893387.db2.gz MBEXMPVYPFQWHK-IERDGZPVSA-N 2 2 407.559 0.972 20 0 HCADLP C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C2=O ZINC000495788763 1077893384 /nfs/dbraw/zinc/89/33/84/1077893384.db2.gz MBEXMPVYPFQWHK-IERDGZPVSA-N 2 2 407.559 0.972 20 0 HCADLP C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C2=O ZINC000495788764 1077893413 /nfs/dbraw/zinc/89/34/13/1077893413.db2.gz MBEXMPVYPFQWHK-IIBYNOLFSA-N 2 2 407.559 0.972 20 0 HCADLP C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C2=O ZINC000495788764 1077893409 /nfs/dbraw/zinc/89/34/09/1077893409.db2.gz MBEXMPVYPFQWHK-IIBYNOLFSA-N 2 2 407.559 0.972 20 0 HCADLP C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C2=O ZINC000495788765 1077893302 /nfs/dbraw/zinc/89/33/02/1077893302.db2.gz MBEXMPVYPFQWHK-KKSFZXQISA-N 2 2 407.559 0.972 20 0 HCADLP C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C2=O ZINC000495788765 1077893301 /nfs/dbraw/zinc/89/33/01/1077893301.db2.gz MBEXMPVYPFQWHK-KKSFZXQISA-N 2 2 407.559 0.972 20 0 HCADLP C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495789887 1077894552 /nfs/dbraw/zinc/89/45/52/1077894552.db2.gz RZYQDSOHKMCWLQ-HNNXBMFYSA-N 2 2 414.547 0.977 20 0 HCADLP C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495789887 1077894550 /nfs/dbraw/zinc/89/45/50/1077894550.db2.gz RZYQDSOHKMCWLQ-HNNXBMFYSA-N 2 2 414.547 0.977 20 0 HCADLP COc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(OC)c1OCC(N)=O ZINC000495790949 1077895522 /nfs/dbraw/zinc/89/55/22/1077895522.db2.gz XJSBPYNDYGYZND-UHFFFAOYSA-N 2 2 422.526 0.666 20 0 HCADLP COc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(OC)c1OCC(N)=O ZINC000495790949 1077895520 /nfs/dbraw/zinc/89/55/20/1077895520.db2.gz XJSBPYNDYGYZND-UHFFFAOYSA-N 2 2 422.526 0.666 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000495802922 1077915099 /nfs/dbraw/zinc/91/50/99/1077915099.db2.gz DVWBGYHKRAIQTI-UHFFFAOYSA-N 2 2 416.613 0.938 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000495802922 1077915093 /nfs/dbraw/zinc/91/50/93/1077915093.db2.gz DVWBGYHKRAIQTI-UHFFFAOYSA-N 2 2 416.613 0.938 20 0 HCADLP Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495804305 1077915007 /nfs/dbraw/zinc/91/50/07/1077915007.db2.gz NVUNJFZSWFMOOL-AWEZNQCLSA-N 2 2 415.560 0.443 20 0 HCADLP Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495804305 1077915001 /nfs/dbraw/zinc/91/50/01/1077915001.db2.gz NVUNJFZSWFMOOL-AWEZNQCLSA-N 2 2 415.560 0.443 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000495819974 1077916786 /nfs/dbraw/zinc/91/67/86/1077916786.db2.gz MDUVCVCLWMMKHV-UHFFFAOYSA-N 2 2 416.320 0.196 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000495819974 1077916779 /nfs/dbraw/zinc/91/67/79/1077916779.db2.gz MDUVCVCLWMMKHV-UHFFFAOYSA-N 2 2 416.320 0.196 20 0 HCADLP CNS(=O)(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1OC ZINC000495833395 1077919343 /nfs/dbraw/zinc/91/93/43/1077919343.db2.gz VZAWQVYQVKKRSO-UHFFFAOYSA-N 2 2 412.556 0.701 20 0 HCADLP CNS(=O)(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1OC ZINC000495833395 1077919337 /nfs/dbraw/zinc/91/93/37/1077919337.db2.gz VZAWQVYQVKKRSO-UHFFFAOYSA-N 2 2 412.556 0.701 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2)CC1 ZINC000495971695 1077956474 /nfs/dbraw/zinc/95/64/74/1077956474.db2.gz WEIXXMNYJNNDMB-APWZRJJASA-N 2 2 413.522 0.565 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc2)CC1 ZINC000495971695 1077956463 /nfs/dbraw/zinc/95/64/63/1077956463.db2.gz WEIXXMNYJNNDMB-APWZRJJASA-N 2 2 413.522 0.565 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2)CC1 ZINC000495971696 1077956684 /nfs/dbraw/zinc/95/66/84/1077956684.db2.gz WEIXXMNYJNNDMB-LPHOPBHVSA-N 2 2 413.522 0.565 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2)CC1 ZINC000495971696 1077956678 /nfs/dbraw/zinc/95/66/78/1077956678.db2.gz WEIXXMNYJNNDMB-LPHOPBHVSA-N 2 2 413.522 0.565 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000495971698 1077956359 /nfs/dbraw/zinc/95/63/59/1077956359.db2.gz WEIXXMNYJNNDMB-QFBILLFUSA-N 2 2 413.522 0.565 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2)CC1 ZINC000495971698 1077956349 /nfs/dbraw/zinc/95/63/49/1077956349.db2.gz WEIXXMNYJNNDMB-QFBILLFUSA-N 2 2 413.522 0.565 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000495971700 1077956183 /nfs/dbraw/zinc/95/61/83/1077956183.db2.gz WEIXXMNYJNNDMB-VQIMIIECSA-N 2 2 413.522 0.565 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cc2)CC1 ZINC000495971700 1077956180 /nfs/dbraw/zinc/95/61/80/1077956180.db2.gz WEIXXMNYJNNDMB-VQIMIIECSA-N 2 2 413.522 0.565 20 0 HCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000496241855 1078056716 /nfs/dbraw/zinc/05/67/16/1078056716.db2.gz COOAPWXUPDDMJN-NRFANRHFSA-N 2 2 402.587 0.691 20 0 HCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000496241855 1078056711 /nfs/dbraw/zinc/05/67/11/1078056711.db2.gz COOAPWXUPDDMJN-NRFANRHFSA-N 2 2 402.587 0.691 20 0 HCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000496241995 1078056534 /nfs/dbraw/zinc/05/65/34/1078056534.db2.gz COOAPWXUPDDMJN-OAQYLSRUSA-N 2 2 402.587 0.691 20 0 HCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000496241995 1078056523 /nfs/dbraw/zinc/05/65/23/1078056523.db2.gz COOAPWXUPDDMJN-OAQYLSRUSA-N 2 2 402.587 0.691 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000496264286 1078058115 /nfs/dbraw/zinc/05/81/15/1078058115.db2.gz JYSPOVVZCJMQNB-MOPGFXCFSA-N 2 2 410.559 0.051 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496264286 1078058110 /nfs/dbraw/zinc/05/81/10/1078058110.db2.gz JYSPOVVZCJMQNB-MOPGFXCFSA-N 2 2 410.559 0.051 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000496264293 1078058198 /nfs/dbraw/zinc/05/81/98/1078058198.db2.gz JYSPOVVZCJMQNB-OALUTQOASA-N 2 2 410.559 0.051 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496264293 1078058193 /nfs/dbraw/zinc/05/81/93/1078058193.db2.gz JYSPOVVZCJMQNB-OALUTQOASA-N 2 2 410.559 0.051 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000496264294 1078058247 /nfs/dbraw/zinc/05/82/47/1078058247.db2.gz JYSPOVVZCJMQNB-RBUKOAKNSA-N 2 2 410.559 0.051 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496264294 1078058242 /nfs/dbraw/zinc/05/82/42/1078058242.db2.gz JYSPOVVZCJMQNB-RBUKOAKNSA-N 2 2 410.559 0.051 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000496264295 1078058071 /nfs/dbraw/zinc/05/80/71/1078058071.db2.gz JYSPOVVZCJMQNB-RTBURBONSA-N 2 2 410.559 0.051 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496264295 1078058066 /nfs/dbraw/zinc/05/80/66/1078058066.db2.gz JYSPOVVZCJMQNB-RTBURBONSA-N 2 2 410.559 0.051 20 0 HCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496282510 1078060386 /nfs/dbraw/zinc/06/03/86/1078060386.db2.gz JDOZXQMPNDHHRU-KRWDZBQOSA-N 2 2 404.559 0.343 20 0 HCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496282510 1078060383 /nfs/dbraw/zinc/06/03/83/1078060383.db2.gz JDOZXQMPNDHHRU-KRWDZBQOSA-N 2 2 404.559 0.343 20 0 HCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496282511 1078060521 /nfs/dbraw/zinc/06/05/21/1078060521.db2.gz JDOZXQMPNDHHRU-QGZVFWFLSA-N 2 2 404.559 0.343 20 0 HCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496282511 1078060518 /nfs/dbraw/zinc/06/05/18/1078060518.db2.gz JDOZXQMPNDHHRU-QGZVFWFLSA-N 2 2 404.559 0.343 20 0 HCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496334371 1078065355 /nfs/dbraw/zinc/06/53/55/1078065355.db2.gz VLTNVYVJEROWKI-UHFFFAOYSA-N 2 2 406.575 0.826 20 0 HCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496334371 1078065349 /nfs/dbraw/zinc/06/53/49/1078065349.db2.gz VLTNVYVJEROWKI-UHFFFAOYSA-N 2 2 406.575 0.826 20 0 HCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496342665 1078065997 /nfs/dbraw/zinc/06/59/97/1078065997.db2.gz JEWOVRCUHDIOEA-UHFFFAOYSA-N 2 2 415.582 0.781 20 0 HCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496342665 1078065991 /nfs/dbraw/zinc/06/59/91/1078065991.db2.gz JEWOVRCUHDIOEA-UHFFFAOYSA-N 2 2 415.582 0.781 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353690 1078064093 /nfs/dbraw/zinc/06/40/93/1078064093.db2.gz AADSGUXWJUCLBJ-HKUYNNGSSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353690 1078064088 /nfs/dbraw/zinc/06/40/88/1078064088.db2.gz AADSGUXWJUCLBJ-HKUYNNGSSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353690 1078064084 /nfs/dbraw/zinc/06/40/84/1078064084.db2.gz AADSGUXWJUCLBJ-HKUYNNGSSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353690 1078064079 /nfs/dbraw/zinc/06/40/79/1078064079.db2.gz AADSGUXWJUCLBJ-HKUYNNGSSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000496353693 1078064147 /nfs/dbraw/zinc/06/41/47/1078064147.db2.gz AADSGUXWJUCLBJ-IEBWSBKVSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000496353693 1078064144 /nfs/dbraw/zinc/06/41/44/1078064144.db2.gz AADSGUXWJUCLBJ-IEBWSBKVSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000496353693 1078064142 /nfs/dbraw/zinc/06/41/42/1078064142.db2.gz AADSGUXWJUCLBJ-IEBWSBKVSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000496353693 1078064137 /nfs/dbraw/zinc/06/41/37/1078064137.db2.gz AADSGUXWJUCLBJ-IEBWSBKVSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000496353695 1078064345 /nfs/dbraw/zinc/06/43/45/1078064345.db2.gz AADSGUXWJUCLBJ-MJGOQNOKSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000496353695 1078064341 /nfs/dbraw/zinc/06/43/41/1078064341.db2.gz AADSGUXWJUCLBJ-MJGOQNOKSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000496353695 1078064334 /nfs/dbraw/zinc/06/43/34/1078064334.db2.gz AADSGUXWJUCLBJ-MJGOQNOKSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000496353695 1078064329 /nfs/dbraw/zinc/06/43/29/1078064329.db2.gz AADSGUXWJUCLBJ-MJGOQNOKSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353697 1078064126 /nfs/dbraw/zinc/06/41/26/1078064126.db2.gz AADSGUXWJUCLBJ-PKOBYXMFSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353697 1078064123 /nfs/dbraw/zinc/06/41/23/1078064123.db2.gz AADSGUXWJUCLBJ-PKOBYXMFSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353697 1078064122 /nfs/dbraw/zinc/06/41/22/1078064122.db2.gz AADSGUXWJUCLBJ-PKOBYXMFSA-N 2 2 422.570 0.996 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353697 1078064119 /nfs/dbraw/zinc/06/41/19/1078064119.db2.gz AADSGUXWJUCLBJ-PKOBYXMFSA-N 2 2 422.570 0.996 20 0 HCADLP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000496355962 1078064660 /nfs/dbraw/zinc/06/46/60/1078064660.db2.gz FHYFTNBOADONEJ-UHFFFAOYSA-N 2 2 401.555 0.473 20 0 HCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000496355962 1078064654 /nfs/dbraw/zinc/06/46/54/1078064654.db2.gz FHYFTNBOADONEJ-UHFFFAOYSA-N 2 2 401.555 0.473 20 0 HCADLP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1(C)C ZINC000496356281 1078064720 /nfs/dbraw/zinc/06/47/20/1078064720.db2.gz GCGRLZUJVUSNOR-UHFFFAOYSA-N 2 2 415.582 0.516 20 0 HCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1(C)C ZINC000496356281 1078064717 /nfs/dbraw/zinc/06/47/17/1078064717.db2.gz GCGRLZUJVUSNOR-UHFFFAOYSA-N 2 2 415.582 0.516 20 0 HCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC000496357580 1078064704 /nfs/dbraw/zinc/06/47/04/1078064704.db2.gz HLVDVUYQGRRRNL-UHFFFAOYSA-N 2 2 415.582 0.781 20 0 HCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC000496357580 1078064701 /nfs/dbraw/zinc/06/47/01/1078064701.db2.gz HLVDVUYQGRRRNL-UHFFFAOYSA-N 2 2 415.582 0.781 20 0 HCADLP C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000496358288 1078065027 /nfs/dbraw/zinc/06/50/27/1078065027.db2.gz JINIPRNSZHXPTP-IBGZPJMESA-N 2 2 401.555 0.644 20 0 HCADLP C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000496358288 1078065022 /nfs/dbraw/zinc/06/50/22/1078065022.db2.gz JINIPRNSZHXPTP-IBGZPJMESA-N 2 2 401.555 0.644 20 0 HCADLP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1(C)C ZINC000496358288 1078065020 /nfs/dbraw/zinc/06/50/20/1078065020.db2.gz JINIPRNSZHXPTP-IBGZPJMESA-N 2 2 401.555 0.644 20 0 HCADLP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1(C)C ZINC000496358288 1078065015 /nfs/dbraw/zinc/06/50/15/1078065015.db2.gz JINIPRNSZHXPTP-IBGZPJMESA-N 2 2 401.555 0.644 20 0 HCADLP C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000496358289 1078065117 /nfs/dbraw/zinc/06/51/17/1078065117.db2.gz JINIPRNSZHXPTP-LJQANCHMSA-N 2 2 401.555 0.644 20 0 HCADLP C[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000496358289 1078065108 /nfs/dbraw/zinc/06/51/08/1078065108.db2.gz JINIPRNSZHXPTP-LJQANCHMSA-N 2 2 401.555 0.644 20 0 HCADLP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000496358289 1078065101 /nfs/dbraw/zinc/06/51/01/1078065101.db2.gz JINIPRNSZHXPTP-LJQANCHMSA-N 2 2 401.555 0.644 20 0 HCADLP C[NH+]1CCN(CCNC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000496358289 1078065094 /nfs/dbraw/zinc/06/50/94/1078065094.db2.gz JINIPRNSZHXPTP-LJQANCHMSA-N 2 2 401.555 0.644 20 0 HCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000496379196 1078066572 /nfs/dbraw/zinc/06/65/72/1078066572.db2.gz NTHWKWYDYHCMTQ-UHFFFAOYSA-N 2 2 405.543 0.808 20 0 HCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC000496379196 1078066567 /nfs/dbraw/zinc/06/65/67/1078066567.db2.gz NTHWKWYDYHCMTQ-UHFFFAOYSA-N 2 2 405.543 0.808 20 0 HCADLP C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1(C)C ZINC000496384832 1078067325 /nfs/dbraw/zinc/06/73/25/1078067325.db2.gz ZXBUIFRBCXPMSX-UHFFFAOYSA-N 2 2 421.611 0.577 20 0 HCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1(C)C ZINC000496384832 1078067323 /nfs/dbraw/zinc/06/73/23/1078067323.db2.gz ZXBUIFRBCXPMSX-UHFFFAOYSA-N 2 2 421.611 0.577 20 0 HCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496396354 1078068691 /nfs/dbraw/zinc/06/86/91/1078068691.db2.gz SNIBGUABCFBBIA-LJQANCHMSA-N 2 2 415.582 0.862 20 0 HCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496396354 1078068687 /nfs/dbraw/zinc/06/86/87/1078068687.db2.gz SNIBGUABCFBBIA-LJQANCHMSA-N 2 2 415.582 0.862 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496396354 1078068684 /nfs/dbraw/zinc/06/86/84/1078068684.db2.gz SNIBGUABCFBBIA-LJQANCHMSA-N 2 2 415.582 0.862 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496396354 1078068681 /nfs/dbraw/zinc/06/86/81/1078068681.db2.gz SNIBGUABCFBBIA-LJQANCHMSA-N 2 2 415.582 0.862 20 0 HCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496413051 1078069609 /nfs/dbraw/zinc/06/96/09/1078069609.db2.gz SNIBGUABCFBBIA-IBGZPJMESA-N 2 2 415.582 0.862 20 0 HCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496413051 1078069604 /nfs/dbraw/zinc/06/96/04/1078069604.db2.gz SNIBGUABCFBBIA-IBGZPJMESA-N 2 2 415.582 0.862 20 0 HCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496413051 1078069599 /nfs/dbraw/zinc/06/95/99/1078069599.db2.gz SNIBGUABCFBBIA-IBGZPJMESA-N 2 2 415.582 0.862 20 0 HCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496413051 1078069591 /nfs/dbraw/zinc/06/95/91/1078069591.db2.gz SNIBGUABCFBBIA-IBGZPJMESA-N 2 2 415.582 0.862 20 0 HCADLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)CCC(=O)N1C1CC1 ZINC000496595981 1078079003 /nfs/dbraw/zinc/07/90/03/1078079003.db2.gz XLWCOOQCDAFJBA-YLJYHZDGSA-N 2 2 418.542 0.618 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2cccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2)C1 ZINC000496616049 1078080197 /nfs/dbraw/zinc/08/01/97/1078080197.db2.gz UQSGEQUPZDMRGM-BGYRXZFFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2cccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2)C1 ZINC000496616049 1078080195 /nfs/dbraw/zinc/08/01/95/1078080195.db2.gz UQSGEQUPZDMRGM-BGYRXZFFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2cccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2)C1 ZINC000496616049 1078080189 /nfs/dbraw/zinc/08/01/89/1078080189.db2.gz UQSGEQUPZDMRGM-BGYRXZFFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2cccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2)C1 ZINC000496616049 1078080183 /nfs/dbraw/zinc/08/01/83/1078080183.db2.gz UQSGEQUPZDMRGM-BGYRXZFFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2cccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2)C1 ZINC000496616050 1078080244 /nfs/dbraw/zinc/08/02/44/1078080244.db2.gz UQSGEQUPZDMRGM-PMACEKPBSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2cccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2)C1 ZINC000496616050 1078080239 /nfs/dbraw/zinc/08/02/39/1078080239.db2.gz UQSGEQUPZDMRGM-PMACEKPBSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2cccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2)C1 ZINC000496616051 1078080290 /nfs/dbraw/zinc/08/02/90/1078080290.db2.gz UQSGEQUPZDMRGM-WOJBJXKFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2cccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2)C1 ZINC000496616051 1078080286 /nfs/dbraw/zinc/08/02/86/1078080286.db2.gz UQSGEQUPZDMRGM-WOJBJXKFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000496755698 1078088918 /nfs/dbraw/zinc/08/89/18/1078088918.db2.gz XJLXQIQQCZVFAF-BGYRXZFFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000496755698 1078088913 /nfs/dbraw/zinc/08/89/13/1078088913.db2.gz XJLXQIQQCZVFAF-BGYRXZFFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000496755698 1078088912 /nfs/dbraw/zinc/08/89/12/1078088912.db2.gz XJLXQIQQCZVFAF-BGYRXZFFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000496755698 1078088909 /nfs/dbraw/zinc/08/89/09/1078088909.db2.gz XJLXQIQQCZVFAF-BGYRXZFFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000496755700 1078088853 /nfs/dbraw/zinc/08/88/53/1078088853.db2.gz XJLXQIQQCZVFAF-PMACEKPBSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000496755700 1078088849 /nfs/dbraw/zinc/08/88/49/1078088849.db2.gz XJLXQIQQCZVFAF-PMACEKPBSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2ccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000496755702 1078089170 /nfs/dbraw/zinc/08/91/70/1078089170.db2.gz XJLXQIQQCZVFAF-WOJBJXKFSA-N 2 2 418.538 0.360 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2ccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000496755702 1078089167 /nfs/dbraw/zinc/08/91/67/1078089167.db2.gz XJLXQIQQCZVFAF-WOJBJXKFSA-N 2 2 418.538 0.360 20 0 HCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)CC1 ZINC000496986171 1078109246 /nfs/dbraw/zinc/10/92/46/1078109246.db2.gz AGFIIKFCQZEXMB-NRFANRHFSA-N 2 2 404.555 0.982 20 0 HCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)CC1 ZINC000496986172 1078109520 /nfs/dbraw/zinc/10/95/20/1078109520.db2.gz AGFIIKFCQZEXMB-OAQYLSRUSA-N 2 2 404.555 0.982 20 0 HCADLP CC[NH+]1CCN(c2ccc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2F)CC1 ZINC000496988286 1078111548 /nfs/dbraw/zinc/11/15/48/1078111548.db2.gz LTIOURWPHDMUGN-GOSISDBHSA-N 2 2 408.518 0.733 20 0 HCADLP CC[NH+]1CCN(c2ccc(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2F)CC1 ZINC000496988291 1078111667 /nfs/dbraw/zinc/11/16/67/1078111667.db2.gz LTIOURWPHDMUGN-SFHVURJKSA-N 2 2 408.518 0.733 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000497037628 1078121567 /nfs/dbraw/zinc/12/15/67/1078121567.db2.gz XNLSMMDSZSLRGC-NRFANRHFSA-N 2 2 404.555 0.740 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000497037629 1078121433 /nfs/dbraw/zinc/12/14/33/1078121433.db2.gz XNLSMMDSZSLRGC-OAQYLSRUSA-N 2 2 404.555 0.740 20 0 HCADLP CCn1cc(C[NH+]2CCCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000497352279 1078207533 /nfs/dbraw/zinc/20/75/33/1078207533.db2.gz JYDWBRHTIYEAQF-GOSISDBHSA-N 2 2 405.547 0.460 20 0 HCADLP CCn1cc(C[NH+]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000497352279 1078207526 /nfs/dbraw/zinc/20/75/26/1078207526.db2.gz JYDWBRHTIYEAQF-GOSISDBHSA-N 2 2 405.547 0.460 20 0 HCADLP CCn1cc(C[N@H+]2CCCN(C(=O)NCCC[NH+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000497352279 1078207507 /nfs/dbraw/zinc/20/75/07/1078207507.db2.gz JYDWBRHTIYEAQF-GOSISDBHSA-N 2 2 405.547 0.460 20 0 HCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)NCCC[NH+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000497352279 1078207496 /nfs/dbraw/zinc/20/74/96/1078207496.db2.gz JYDWBRHTIYEAQF-GOSISDBHSA-N 2 2 405.547 0.460 20 0 HCADLP CCn1cc(C[NH+]2CCCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000497352280 1078207746 /nfs/dbraw/zinc/20/77/46/1078207746.db2.gz JYDWBRHTIYEAQF-SFHVURJKSA-N 2 2 405.547 0.460 20 0 HCADLP CCn1cc(C[NH+]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000497352280 1078207736 /nfs/dbraw/zinc/20/77/36/1078207736.db2.gz JYDWBRHTIYEAQF-SFHVURJKSA-N 2 2 405.547 0.460 20 0 HCADLP CCn1cc(C[N@H+]2CCCN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000497352280 1078207727 /nfs/dbraw/zinc/20/77/27/1078207727.db2.gz JYDWBRHTIYEAQF-SFHVURJKSA-N 2 2 405.547 0.460 20 0 HCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000497352280 1078207712 /nfs/dbraw/zinc/20/77/12/1078207712.db2.gz JYDWBRHTIYEAQF-SFHVURJKSA-N 2 2 405.547 0.460 20 0 HCADLP C[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC000497388466 1078229934 /nfs/dbraw/zinc/22/99/34/1078229934.db2.gz UASZRXFNYBFVAB-AABGKKOBSA-N 2 2 400.523 0.381 20 0 HCADLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC000497388466 1078229924 /nfs/dbraw/zinc/22/99/24/1078229924.db2.gz UASZRXFNYBFVAB-AABGKKOBSA-N 2 2 400.523 0.381 20 0 HCADLP C[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497388467 1078230090 /nfs/dbraw/zinc/23/00/90/1078230090.db2.gz UASZRXFNYBFVAB-AQNXPRMDSA-N 2 2 400.523 0.381 20 0 HCADLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497388467 1078230077 /nfs/dbraw/zinc/23/00/77/1078230077.db2.gz UASZRXFNYBFVAB-AQNXPRMDSA-N 2 2 400.523 0.381 20 0 HCADLP C[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC000497388470 1078230029 /nfs/dbraw/zinc/23/00/29/1078230029.db2.gz UASZRXFNYBFVAB-UFYCRDLUSA-N 2 2 400.523 0.381 20 0 HCADLP C[N@@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC000497388470 1078230018 /nfs/dbraw/zinc/23/00/18/1078230018.db2.gz UASZRXFNYBFVAB-UFYCRDLUSA-N 2 2 400.523 0.381 20 0 HCADLP C[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497388473 1078230167 /nfs/dbraw/zinc/23/01/67/1078230167.db2.gz UASZRXFNYBFVAB-ZCNNSNEGSA-N 2 2 400.523 0.381 20 0 HCADLP C[N@@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497388473 1078230160 /nfs/dbraw/zinc/23/01/60/1078230160.db2.gz UASZRXFNYBFVAB-ZCNNSNEGSA-N 2 2 400.523 0.381 20 0 HCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[NH+]2CCC1CC2 ZINC000497475327 1078255573 /nfs/dbraw/zinc/25/55/73/1078255573.db2.gz XMFZGWRBWNJFCH-KRWDZBQOSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[NH+]2CCC1CC2 ZINC000497475327 1078255562 /nfs/dbraw/zinc/25/55/62/1078255562.db2.gz XMFZGWRBWNJFCH-KRWDZBQOSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CC[NH+]2CCC1CC2 ZINC000497475329 1078255630 /nfs/dbraw/zinc/25/56/30/1078255630.db2.gz XMFZGWRBWNJFCH-QGZVFWFLSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CC[NH+]2CCC1CC2 ZINC000497475329 1078255626 /nfs/dbraw/zinc/25/56/26/1078255626.db2.gz XMFZGWRBWNJFCH-QGZVFWFLSA-N 2 2 415.542 0.772 20 0 HCADLP C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1Cc1ccccc1 ZINC000497477976 1078259113 /nfs/dbraw/zinc/25/91/13/1078259113.db2.gz FGIJEVMHMJETEP-JOCHJYFZSA-N 2 2 417.598 0.945 20 0 HCADLP C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1Cc1ccccc1 ZINC000497477976 1078259110 /nfs/dbraw/zinc/25/91/10/1078259110.db2.gz FGIJEVMHMJETEP-JOCHJYFZSA-N 2 2 417.598 0.945 20 0 HCADLP C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1Cc1ccccc1 ZINC000497477977 1078259209 /nfs/dbraw/zinc/25/92/09/1078259209.db2.gz FGIJEVMHMJETEP-QFIPXVFZSA-N 2 2 417.598 0.945 20 0 HCADLP C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1Cc1ccccc1 ZINC000497477977 1078259204 /nfs/dbraw/zinc/25/92/04/1078259204.db2.gz FGIJEVMHMJETEP-QFIPXVFZSA-N 2 2 417.598 0.945 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000497485438 1078256742 /nfs/dbraw/zinc/25/67/42/1078256742.db2.gz ZVOCISGYQRXTDX-UHFFFAOYSA-N 2 2 403.575 0.612 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000497485438 1078256737 /nfs/dbraw/zinc/25/67/37/1078256737.db2.gz ZVOCISGYQRXTDX-UHFFFAOYSA-N 2 2 403.575 0.612 20 0 HCADLP COCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000497487756 1078257260 /nfs/dbraw/zinc/25/72/60/1078257260.db2.gz GMBNYDPXABXETK-GOSISDBHSA-N 2 2 417.554 0.983 20 0 HCADLP COCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000497487757 1078257104 /nfs/dbraw/zinc/25/71/04/1078257104.db2.gz GMBNYDPXABXETK-SFHVURJKSA-N 2 2 417.554 0.983 20 0 HCADLP COCCCNC(=O)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000497492885 1078258717 /nfs/dbraw/zinc/25/87/17/1078258717.db2.gz AEZNEKBGJQVFQN-UHFFFAOYSA-N 2 2 417.554 0.985 20 0 HCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)C1 ZINC000497504666 1078262393 /nfs/dbraw/zinc/26/23/93/1078262393.db2.gz FLBGVYCRYFACSI-LEWJYISDSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)C1 ZINC000497504666 1078262390 /nfs/dbraw/zinc/26/23/90/1078262390.db2.gz FLBGVYCRYFACSI-LEWJYISDSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)CC2)C1 ZINC000497504666 1078262386 /nfs/dbraw/zinc/26/23/86/1078262386.db2.gz FLBGVYCRYFACSI-LEWJYISDSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)CC2)C1 ZINC000497504666 1078262382 /nfs/dbraw/zinc/26/23/82/1078262382.db2.gz FLBGVYCRYFACSI-LEWJYISDSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)C1 ZINC000497504667 1078262437 /nfs/dbraw/zinc/26/24/37/1078262437.db2.gz FLBGVYCRYFACSI-NHCUHLMSSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)C1 ZINC000497504667 1078262434 /nfs/dbraw/zinc/26/24/34/1078262434.db2.gz FLBGVYCRYFACSI-NHCUHLMSSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)CC2)C1 ZINC000497504667 1078262431 /nfs/dbraw/zinc/26/24/31/1078262431.db2.gz FLBGVYCRYFACSI-NHCUHLMSSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)CC2)C1 ZINC000497504667 1078262427 /nfs/dbraw/zinc/26/24/27/1078262427.db2.gz FLBGVYCRYFACSI-NHCUHLMSSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)C1 ZINC000497504668 1078262411 /nfs/dbraw/zinc/26/24/11/1078262411.db2.gz FLBGVYCRYFACSI-RTWAWAEBSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)C1 ZINC000497504668 1078262410 /nfs/dbraw/zinc/26/24/10/1078262410.db2.gz FLBGVYCRYFACSI-RTWAWAEBSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)CC2)C1 ZINC000497504668 1078262409 /nfs/dbraw/zinc/26/24/09/1078262409.db2.gz FLBGVYCRYFACSI-RTWAWAEBSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)CC2)C1 ZINC000497504668 1078262406 /nfs/dbraw/zinc/26/24/06/1078262406.db2.gz FLBGVYCRYFACSI-RTWAWAEBSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)C1 ZINC000497504669 1078262590 /nfs/dbraw/zinc/26/25/90/1078262590.db2.gz FLBGVYCRYFACSI-SFTDATJTSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)C1 ZINC000497504669 1078262585 /nfs/dbraw/zinc/26/25/85/1078262585.db2.gz FLBGVYCRYFACSI-SFTDATJTSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)CC2)C1 ZINC000497504669 1078262578 /nfs/dbraw/zinc/26/25/78/1078262578.db2.gz FLBGVYCRYFACSI-SFTDATJTSA-N 2 2 408.587 0.741 20 0 HCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)CC2)C1 ZINC000497504669 1078262576 /nfs/dbraw/zinc/26/25/76/1078262576.db2.gz FLBGVYCRYFACSI-SFTDATJTSA-N 2 2 408.587 0.741 20 0 HCADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000497504829 1078262520 /nfs/dbraw/zinc/26/25/20/1078262520.db2.gz NUZZOQIKJKOHEK-UHFFFAOYSA-N 2 2 403.571 0.902 20 0 HCADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000497504829 1078262515 /nfs/dbraw/zinc/26/25/15/1078262515.db2.gz NUZZOQIKJKOHEK-UHFFFAOYSA-N 2 2 403.571 0.902 20 0 HCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC000497507367 1078265890 /nfs/dbraw/zinc/26/58/90/1078265890.db2.gz RYCDFMCSXGUCOZ-INIZCTEOSA-N 2 2 406.527 0.770 20 0 HCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC000497507367 1078265884 /nfs/dbraw/zinc/26/58/84/1078265884.db2.gz RYCDFMCSXGUCOZ-INIZCTEOSA-N 2 2 406.527 0.770 20 0 HCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)CC2 ZINC000497507368 1078265931 /nfs/dbraw/zinc/26/59/31/1078265931.db2.gz RYCDFMCSXGUCOZ-MRXNPFEDSA-N 2 2 406.527 0.770 20 0 HCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)CC2 ZINC000497507368 1078265923 /nfs/dbraw/zinc/26/59/23/1078265923.db2.gz RYCDFMCSXGUCOZ-MRXNPFEDSA-N 2 2 406.527 0.770 20 0 HCADLP CN(CC[NH+]1CCCC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000497593021 1078285145 /nfs/dbraw/zinc/28/51/45/1078285145.db2.gz VWVBJILEZSJJMP-UHFFFAOYSA-N 2 2 424.571 0.271 20 0 HCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000497604858 1078289901 /nfs/dbraw/zinc/28/99/01/1078289901.db2.gz WHHIWGRMMDANTO-FHWLQOOXSA-N 2 2 404.559 0.689 20 0 HCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000497604858 1078289897 /nfs/dbraw/zinc/28/98/97/1078289897.db2.gz WHHIWGRMMDANTO-FHWLQOOXSA-N 2 2 404.559 0.689 20 0 HCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000497604859 1078289727 /nfs/dbraw/zinc/28/97/27/1078289727.db2.gz WHHIWGRMMDANTO-OTWHNJEPSA-N 2 2 404.559 0.689 20 0 HCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000497604859 1078289722 /nfs/dbraw/zinc/28/97/22/1078289722.db2.gz WHHIWGRMMDANTO-OTWHNJEPSA-N 2 2 404.559 0.689 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000497604860 1078289869 /nfs/dbraw/zinc/28/98/69/1078289869.db2.gz WHHIWGRMMDANTO-QRVBRYPASA-N 2 2 404.559 0.689 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000497604860 1078289863 /nfs/dbraw/zinc/28/98/63/1078289863.db2.gz WHHIWGRMMDANTO-QRVBRYPASA-N 2 2 404.559 0.689 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000497604861 1078289704 /nfs/dbraw/zinc/28/97/04/1078289704.db2.gz WHHIWGRMMDANTO-QYZOEREBSA-N 2 2 404.559 0.689 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000497604861 1078289699 /nfs/dbraw/zinc/28/96/99/1078289699.db2.gz WHHIWGRMMDANTO-QYZOEREBSA-N 2 2 404.559 0.689 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000497693115 1078305334 /nfs/dbraw/zinc/30/53/34/1078305334.db2.gz XNTAYWZOQREVAH-UHFFFAOYSA-N 3 2 417.602 0.873 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000497693115 1078305329 /nfs/dbraw/zinc/30/53/29/1078305329.db2.gz XNTAYWZOQREVAH-UHFFFAOYSA-N 3 2 417.602 0.873 20 0 HCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000497696697 1078306135 /nfs/dbraw/zinc/30/61/35/1078306135.db2.gz MNIVELFXPBLOIT-MSOLQXFVSA-N 2 2 400.527 0.856 20 0 HCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000497696697 1078306130 /nfs/dbraw/zinc/30/61/30/1078306130.db2.gz MNIVELFXPBLOIT-MSOLQXFVSA-N 2 2 400.527 0.856 20 0 HCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000497696699 1078306235 /nfs/dbraw/zinc/30/62/35/1078306235.db2.gz MNIVELFXPBLOIT-QZTJIDSGSA-N 2 2 400.527 0.856 20 0 HCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000497696699 1078306232 /nfs/dbraw/zinc/30/62/32/1078306232.db2.gz MNIVELFXPBLOIT-QZTJIDSGSA-N 2 2 400.527 0.856 20 0 HCADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000497696700 1078306200 /nfs/dbraw/zinc/30/62/00/1078306200.db2.gz MNIVELFXPBLOIT-ROUUACIJSA-N 2 2 400.527 0.856 20 0 HCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000497696700 1078306195 /nfs/dbraw/zinc/30/61/95/1078306195.db2.gz MNIVELFXPBLOIT-ROUUACIJSA-N 2 2 400.527 0.856 20 0 HCADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000497696702 1078306008 /nfs/dbraw/zinc/30/60/08/1078306008.db2.gz MNIVELFXPBLOIT-ZWKOTPCHSA-N 2 2 400.527 0.856 20 0 HCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000497696702 1078306004 /nfs/dbraw/zinc/30/60/04/1078306004.db2.gz MNIVELFXPBLOIT-ZWKOTPCHSA-N 2 2 400.527 0.856 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000497734807 1078314339 /nfs/dbraw/zinc/31/43/39/1078314339.db2.gz DUJODEJLRPYXLR-AKHDSKFASA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000497734807 1078314334 /nfs/dbraw/zinc/31/43/34/1078314334.db2.gz DUJODEJLRPYXLR-AKHDSKFASA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000497734807 1078314331 /nfs/dbraw/zinc/31/43/31/1078314331.db2.gz DUJODEJLRPYXLR-AKHDSKFASA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000497734807 1078314327 /nfs/dbraw/zinc/31/43/27/1078314327.db2.gz DUJODEJLRPYXLR-AKHDSKFASA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000497734808 1078314504 /nfs/dbraw/zinc/31/45/04/1078314504.db2.gz DUJODEJLRPYXLR-XWSJACJDSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000497734808 1078314502 /nfs/dbraw/zinc/31/45/02/1078314502.db2.gz DUJODEJLRPYXLR-XWSJACJDSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000497734808 1078314499 /nfs/dbraw/zinc/31/44/99/1078314499.db2.gz DUJODEJLRPYXLR-XWSJACJDSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000497734808 1078314494 /nfs/dbraw/zinc/31/44/94/1078314494.db2.gz DUJODEJLRPYXLR-XWSJACJDSA-N 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DUJODEJLRPYXLR-YRXWBPOGSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000497734812 1078314454 /nfs/dbraw/zinc/31/44/54/1078314454.db2.gz DUJODEJLRPYXLR-YRXWBPOGSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000497734812 1078314452 /nfs/dbraw/zinc/31/44/52/1078314452.db2.gz DUJODEJLRPYXLR-YRXWBPOGSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000497734812 1078314449 /nfs/dbraw/zinc/31/44/49/1078314449.db2.gz DUJODEJLRPYXLR-YRXWBPOGSA-N 2 2 410.559 0.219 20 0 HCADLP Cc1nn(CCC(=O)N2CC[NH+](C)CC2)c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000497751716 1078318634 /nfs/dbraw/zinc/31/86/34/1078318634.db2.gz ZETFPBJIWNETSI-UHFFFAOYSA-N 2 2 404.559 0.371 20 0 HCADLP COC(=O)CC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000497751926 1078318607 /nfs/dbraw/zinc/31/86/07/1078318607.db2.gz ZMCNMNFODJPGKU-UHFFFAOYSA-N 2 2 415.498 0.287 20 0 HCADLP OC(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000497758826 1078322623 /nfs/dbraw/zinc/32/26/23/1078322623.db2.gz MVRHAJZKRRZMGB-UHFFFAOYSA-N 4 2 424.630 0.436 20 0 HCADLP OC(CN1CCCC[C@@H]1C[NH+]1CCOCC1)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000497762957 1078321219 /nfs/dbraw/zinc/32/12/19/1078321219.db2.gz IZXLPBRGCMFZJS-FGZHOGPDSA-N 2 2 424.630 0.721 20 0 HCADLP OC(CN1CCCC[C@@H]1C[NH+]1CCOCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000497762957 1078321213 /nfs/dbraw/zinc/32/12/13/1078321213.db2.gz IZXLPBRGCMFZJS-FGZHOGPDSA-N 2 2 424.630 0.721 20 0 HCADLP OC(C[NH+]1CCCC[C@@H]1CN1CCOCC1)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000497762957 1078321205 /nfs/dbraw/zinc/32/12/05/1078321205.db2.gz IZXLPBRGCMFZJS-FGZHOGPDSA-N 2 2 424.630 0.721 20 0 HCADLP OC(C[NH+]1CCCC[C@@H]1CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000497762957 1078321200 /nfs/dbraw/zinc/32/12/00/1078321200.db2.gz IZXLPBRGCMFZJS-FGZHOGPDSA-N 2 2 424.630 0.721 20 0 HCADLP OC(CN1CCCC[C@H]1C[NH+]1CCOCC1)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000497762959 1078321117 /nfs/dbraw/zinc/32/11/17/1078321117.db2.gz IZXLPBRGCMFZJS-VXKWHMMOSA-N 2 2 424.630 0.721 20 0 HCADLP OC(CN1CCCC[C@H]1C[NH+]1CCOCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000497762959 1078321113 /nfs/dbraw/zinc/32/11/13/1078321113.db2.gz IZXLPBRGCMFZJS-VXKWHMMOSA-N 2 2 424.630 0.721 20 0 HCADLP OC(C[NH+]1CCCC[C@H]1CN1CCOCC1)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000497762959 1078321108 /nfs/dbraw/zinc/32/11/08/1078321108.db2.gz IZXLPBRGCMFZJS-VXKWHMMOSA-N 2 2 424.630 0.721 20 0 HCADLP OC(C[NH+]1CCCC[C@H]1CN1CCOCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000497762959 1078321103 /nfs/dbraw/zinc/32/11/03/1078321103.db2.gz IZXLPBRGCMFZJS-VXKWHMMOSA-N 2 2 424.630 0.721 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)CC1 ZINC000497796271 1078324940 /nfs/dbraw/zinc/32/49/40/1078324940.db2.gz XKUHQYFLMLRLGL-UHFFFAOYSA-N 2 2 403.531 0.842 20 0 HCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000497820499 1078329373 /nfs/dbraw/zinc/32/93/73/1078329373.db2.gz OXRLGTNJHUXNLC-INIZCTEOSA-N 2 2 412.560 0.109 20 0 HCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000497820499 1078329368 /nfs/dbraw/zinc/32/93/68/1078329368.db2.gz OXRLGTNJHUXNLC-INIZCTEOSA-N 2 2 412.560 0.109 20 0 HCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000497820502 1078329519 /nfs/dbraw/zinc/32/95/19/1078329519.db2.gz OXRLGTNJHUXNLC-MRXNPFEDSA-N 2 2 412.560 0.109 20 0 HCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000497820502 1078329514 /nfs/dbraw/zinc/32/95/14/1078329514.db2.gz OXRLGTNJHUXNLC-MRXNPFEDSA-N 2 2 412.560 0.109 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498125669 1078369538 /nfs/dbraw/zinc/36/95/38/1078369538.db2.gz KXTWILOLMUWETG-UHFFFAOYSA-N 2 2 418.590 0.268 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498125669 1078369533 /nfs/dbraw/zinc/36/95/33/1078369533.db2.gz KXTWILOLMUWETG-UHFFFAOYSA-N 2 2 418.590 0.268 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000498125969 1078369580 /nfs/dbraw/zinc/36/95/80/1078369580.db2.gz IURMNYQZKXYYOF-UHFFFAOYSA-N 2 2 403.575 0.612 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000498125969 1078369574 /nfs/dbraw/zinc/36/95/74/1078369574.db2.gz IURMNYQZKXYYOF-UHFFFAOYSA-N 2 2 403.575 0.612 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000498149782 1078376256 /nfs/dbraw/zinc/37/62/56/1078376256.db2.gz AMZWNYMSDJSEMD-UHFFFAOYSA-N 2 2 403.575 0.612 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000498149782 1078376251 /nfs/dbraw/zinc/37/62/51/1078376251.db2.gz AMZWNYMSDJSEMD-UHFFFAOYSA-N 2 2 403.575 0.612 20 0 HCADLP C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000498233515 1078423460 /nfs/dbraw/zinc/42/34/60/1078423460.db2.gz QETKXADITGJISS-KRWDZBQOSA-N 2 2 417.558 0.474 20 0 HCADLP C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000498233516 1078423485 /nfs/dbraw/zinc/42/34/85/1078423485.db2.gz QETKXADITGJISS-QGZVFWFLSA-N 2 2 417.558 0.474 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2CCC(CN(C)C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000498333670 1078511168 /nfs/dbraw/zinc/51/11/68/1078511168.db2.gz FCEHQCZTHOYVSK-GHBBCFCZSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2CCC(CN(C)C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000498333670 1078511159 /nfs/dbraw/zinc/51/11/59/1078511159.db2.gz FCEHQCZTHOYVSK-GHBBCFCZSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC2CCC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000498333670 1078511148 /nfs/dbraw/zinc/51/11/48/1078511148.db2.gz FCEHQCZTHOYVSK-GHBBCFCZSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC2CCC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000498333670 1078511144 /nfs/dbraw/zinc/51/11/44/1078511144.db2.gz FCEHQCZTHOYVSK-GHBBCFCZSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2CCC(CN(C)C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000498333676 1078510647 /nfs/dbraw/zinc/51/06/47/1078510647.db2.gz FCEHQCZTHOYVSK-GUMHCPJTSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2CCC(CN(C)C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000498333676 1078510628 /nfs/dbraw/zinc/51/06/28/1078510628.db2.gz FCEHQCZTHOYVSK-GUMHCPJTSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC2CCC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000498333676 1078510612 /nfs/dbraw/zinc/51/06/12/1078510612.db2.gz FCEHQCZTHOYVSK-GUMHCPJTSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC2CCC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000498333676 1078510592 /nfs/dbraw/zinc/51/05/92/1078510592.db2.gz FCEHQCZTHOYVSK-GUMHCPJTSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2CCC(CN(C)C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000498333677 1078511278 /nfs/dbraw/zinc/51/12/78/1078511278.db2.gz FCEHQCZTHOYVSK-NTFDOXNWSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2CCC(CN(C)C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000498333677 1078511267 /nfs/dbraw/zinc/51/12/67/1078511267.db2.gz FCEHQCZTHOYVSK-NTFDOXNWSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC2CCC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000498333677 1078511254 /nfs/dbraw/zinc/51/12/54/1078511254.db2.gz FCEHQCZTHOYVSK-NTFDOXNWSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC2CCC(NC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000498333677 1078511248 /nfs/dbraw/zinc/51/12/48/1078511248.db2.gz FCEHQCZTHOYVSK-NTFDOXNWSA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2CCC(CN(C)C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000498333678 1078510992 /nfs/dbraw/zinc/51/09/92/1078510992.db2.gz FCEHQCZTHOYVSK-TUNPWDSISA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2CCC(CN(C)C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000498333678 1078510979 /nfs/dbraw/zinc/51/09/79/1078510979.db2.gz FCEHQCZTHOYVSK-TUNPWDSISA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC2CCC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000498333678 1078510968 /nfs/dbraw/zinc/51/09/68/1078510968.db2.gz FCEHQCZTHOYVSK-TUNPWDSISA-N 2 2 424.586 0.561 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC2CCC(NC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000498333678 1078510951 /nfs/dbraw/zinc/51/09/51/1078510951.db2.gz FCEHQCZTHOYVSK-TUNPWDSISA-N 2 2 424.586 0.561 20 0 HCADLP COc1ccccc1NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000498392762 1078564361 /nfs/dbraw/zinc/56/43/61/1078564361.db2.gz UOVDPYYATTXJSP-UHFFFAOYSA-N 2 2 417.554 0.804 20 0 HCADLP C[NH+]1CCC(CNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)([NH+]2CCCCC2)CC1 ZINC000498404509 1078575662 /nfs/dbraw/zinc/57/56/62/1078575662.db2.gz QBIIILKLZFHWJC-UHFFFAOYSA-N 2 2 420.558 0.757 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000498412489 1078574481 /nfs/dbraw/zinc/57/44/81/1078574481.db2.gz AUOHQLVTTSHPJK-UHFFFAOYSA-N 2 2 401.511 0.836 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000498412489 1078574478 /nfs/dbraw/zinc/57/44/78/1078574478.db2.gz AUOHQLVTTSHPJK-UHFFFAOYSA-N 2 2 401.511 0.836 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1nnnn1CC(F)(F)F ZINC000498415610 1078583088 /nfs/dbraw/zinc/58/30/88/1078583088.db2.gz YMPLLVIHVAQJPZ-UHFFFAOYSA-N 2 2 409.482 0.812 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1nnnn1CC(F)(F)F ZINC000498415610 1078583079 /nfs/dbraw/zinc/58/30/79/1078583079.db2.gz YMPLLVIHVAQJPZ-UHFFFAOYSA-N 2 2 409.482 0.812 20 0 HCADLP CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498419923 1078579026 /nfs/dbraw/zinc/57/90/26/1078579026.db2.gz DZOQOEMWHFDXIH-IBGZPJMESA-N 2 2 414.558 0.759 20 0 HCADLP CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498419923 1078579017 /nfs/dbraw/zinc/57/90/17/1078579017.db2.gz DZOQOEMWHFDXIH-IBGZPJMESA-N 2 2 414.558 0.759 20 0 HCADLP CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498419925 1078579265 /nfs/dbraw/zinc/57/92/65/1078579265.db2.gz DZOQOEMWHFDXIH-LJQANCHMSA-N 2 2 414.558 0.759 20 0 HCADLP CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498419925 1078579253 /nfs/dbraw/zinc/57/92/53/1078579253.db2.gz DZOQOEMWHFDXIH-LJQANCHMSA-N 2 2 414.558 0.759 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000498421714 1078579904 /nfs/dbraw/zinc/57/99/04/1078579904.db2.gz JURDZDXCXKEBQB-UHFFFAOYSA-N 2 2 414.558 0.825 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000498421714 1078579895 /nfs/dbraw/zinc/57/98/95/1078579895.db2.gz JURDZDXCXKEBQB-UHFFFAOYSA-N 2 2 414.558 0.825 20 0 HCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498426332 1078591195 /nfs/dbraw/zinc/59/11/95/1078591195.db2.gz SOLMBOZQJCVTMN-PMACEKPBSA-N 2 2 423.602 0.090 20 0 HCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000498426333 1078591159 /nfs/dbraw/zinc/59/11/59/1078591159.db2.gz SOLMBOZQJCVTMN-UXHICEINSA-N 2 2 423.602 0.090 20 0 HCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498426334 1078591119 /nfs/dbraw/zinc/59/11/19/1078591119.db2.gz SOLMBOZQJCVTMN-VQTJNVASSA-N 2 2 423.602 0.090 20 0 HCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000498426335 1078591268 /nfs/dbraw/zinc/59/12/68/1078591268.db2.gz SOLMBOZQJCVTMN-WOJBJXKFSA-N 2 2 423.602 0.090 20 0 HCADLP CNC(=O)COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000498434333 1078605254 /nfs/dbraw/zinc/60/52/54/1078605254.db2.gz HVZABNNLNMWMGL-UHFFFAOYSA-N 2 2 406.527 0.918 20 0 HCADLP CNC(=O)COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000498434333 1078605249 /nfs/dbraw/zinc/60/52/49/1078605249.db2.gz HVZABNNLNMWMGL-UHFFFAOYSA-N 2 2 406.527 0.918 20 0 HCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498557721 1078721045 /nfs/dbraw/zinc/72/10/45/1078721045.db2.gz PAAVANKMBGQQAT-CALCHBBNSA-N 2 2 409.556 0.522 20 0 HCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498557721 1078721037 /nfs/dbraw/zinc/72/10/37/1078721037.db2.gz PAAVANKMBGQQAT-CALCHBBNSA-N 2 2 409.556 0.522 20 0 HCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498557723 1078721251 /nfs/dbraw/zinc/72/12/51/1078721251.db2.gz PAAVANKMBGQQAT-IAGOWNOFSA-N 2 2 409.556 0.522 20 0 HCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498557724 1073494316 /nfs/dbraw/zinc/49/43/16/1073494316.db2.gz PAAVANKMBGQQAT-IRXDYDNUSA-N 2 2 409.556 0.522 20 0 HCADLP O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498569672 1073514219 /nfs/dbraw/zinc/51/42/19/1073514219.db2.gz IANGINDORRLMOR-LEWJYISDSA-N 2 2 403.571 0.609 20 0 HCADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498569672 1073514207 /nfs/dbraw/zinc/51/42/07/1073514207.db2.gz IANGINDORRLMOR-LEWJYISDSA-N 2 2 403.571 0.609 20 0 HCADLP O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498569673 1073515066 /nfs/dbraw/zinc/51/50/66/1073515066.db2.gz IANGINDORRLMOR-NHCUHLMSSA-N 2 2 403.571 0.609 20 0 HCADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498569673 1073515053 /nfs/dbraw/zinc/51/50/53/1073515053.db2.gz IANGINDORRLMOR-NHCUHLMSSA-N 2 2 403.571 0.609 20 0 HCADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498569674 1073514985 /nfs/dbraw/zinc/51/49/85/1073514985.db2.gz IANGINDORRLMOR-RTWAWAEBSA-N 2 2 403.571 0.609 20 0 HCADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498569674 1073514976 /nfs/dbraw/zinc/51/49/76/1073514976.db2.gz IANGINDORRLMOR-RTWAWAEBSA-N 2 2 403.571 0.609 20 0 HCADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498569675 1073514660 /nfs/dbraw/zinc/51/46/60/1073514660.db2.gz IANGINDORRLMOR-SFTDATJTSA-N 2 2 403.571 0.609 20 0 HCADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498569675 1073514641 /nfs/dbraw/zinc/51/46/41/1073514641.db2.gz IANGINDORRLMOR-SFTDATJTSA-N 2 2 403.571 0.609 20 0 HCADLP C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000498748343 1078851191 /nfs/dbraw/zinc/85/11/91/1078851191.db2.gz NBIOLNCZUGFZIK-IBGZPJMESA-N 2 2 407.603 0.853 20 0 HCADLP C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000498748344 1078851210 /nfs/dbraw/zinc/85/12/10/1078851210.db2.gz NBIOLNCZUGFZIK-LJQANCHMSA-N 2 2 407.603 0.853 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2ncc(Br)cn2n1 ZINC000498783771 1078877351 /nfs/dbraw/zinc/87/73/51/1078877351.db2.gz YKLJDQBWEGEPMO-UHFFFAOYSA-N 2 2 410.320 0.985 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2ncc(Br)cn2n1 ZINC000498783771 1078877350 /nfs/dbraw/zinc/87/73/50/1078877350.db2.gz YKLJDQBWEGEPMO-UHFFFAOYSA-N 2 2 410.320 0.985 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498838135 1078909025 /nfs/dbraw/zinc/90/90/25/1078909025.db2.gz OHXLYFLDIQXXLY-GUDVDZBRSA-N 2 2 421.586 0.519 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000498838135 1078909019 /nfs/dbraw/zinc/90/90/19/1078909019.db2.gz OHXLYFLDIQXXLY-GUDVDZBRSA-N 2 2 421.586 0.519 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498838136 1078908915 /nfs/dbraw/zinc/90/89/15/1078908915.db2.gz OHXLYFLDIQXXLY-IPMKNSEASA-N 2 2 421.586 0.519 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000498838136 1078908907 /nfs/dbraw/zinc/90/89/07/1078908907.db2.gz OHXLYFLDIQXXLY-IPMKNSEASA-N 2 2 421.586 0.519 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498838137 1078908727 /nfs/dbraw/zinc/90/87/27/1078908727.db2.gz OHXLYFLDIQXXLY-OTWHNJEPSA-N 2 2 421.586 0.519 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000498838137 1078908721 /nfs/dbraw/zinc/90/87/21/1078908721.db2.gz OHXLYFLDIQXXLY-OTWHNJEPSA-N 2 2 421.586 0.519 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498838138 1078908991 /nfs/dbraw/zinc/90/89/91/1078908991.db2.gz OHXLYFLDIQXXLY-QRVBRYPASA-N 2 2 421.586 0.519 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000498838138 1078908984 /nfs/dbraw/zinc/90/89/84/1078908984.db2.gz OHXLYFLDIQXXLY-QRVBRYPASA-N 2 2 421.586 0.519 20 0 HCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000498846448 1078915619 /nfs/dbraw/zinc/91/56/19/1078915619.db2.gz XGRMNCXJBDVXLA-UHFFFAOYSA-N 2 2 419.570 0.157 20 0 HCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000498846448 1078915618 /nfs/dbraw/zinc/91/56/18/1078915618.db2.gz XGRMNCXJBDVXLA-UHFFFAOYSA-N 2 2 419.570 0.157 20 0 HCADLP CCn1cc(C[NH+]2CCCN(C(=O)C(=O)NCC[N@@H+]3CC=C(C)CC3)CC2)cn1 ZINC000498851813 1078919228 /nfs/dbraw/zinc/91/92/28/1078919228.db2.gz FWKWUFXLEVPLIF-UHFFFAOYSA-N 2 2 402.543 0.706 20 0 HCADLP CCn1cc(C[NH+]2CCCN(C(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)cn1 ZINC000498851813 1078919222 /nfs/dbraw/zinc/91/92/22/1078919222.db2.gz FWKWUFXLEVPLIF-UHFFFAOYSA-N 2 2 402.543 0.706 20 0 HCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)NCC[NH+]3CC=C(C)CC3)CC2)cn1 ZINC000498851813 1078919216 /nfs/dbraw/zinc/91/92/16/1078919216.db2.gz FWKWUFXLEVPLIF-UHFFFAOYSA-N 2 2 402.543 0.706 20 0 HCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[NH+]3CC=C(C)CC3)CC2)cn1 ZINC000498851813 1078919210 /nfs/dbraw/zinc/91/92/10/1078919210.db2.gz FWKWUFXLEVPLIF-UHFFFAOYSA-N 2 2 402.543 0.706 20 0 HCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000498852143 1078918580 /nfs/dbraw/zinc/91/85/80/1078918580.db2.gz GRNLNSGFZBZEBA-UHFFFAOYSA-N 2 2 420.476 0.868 20 0 HCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000498852143 1078918577 /nfs/dbraw/zinc/91/85/77/1078918577.db2.gz GRNLNSGFZBZEBA-UHFFFAOYSA-N 2 2 420.476 0.868 20 0 HCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000498852190 1078919583 /nfs/dbraw/zinc/91/95/83/1078919583.db2.gz GXVCIXSRJZDUFF-UHFFFAOYSA-N 2 2 405.587 0.772 20 0 HCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000498852190 1078919578 /nfs/dbraw/zinc/91/95/78/1078919578.db2.gz GXVCIXSRJZDUFF-UHFFFAOYSA-N 2 2 405.587 0.772 20 0 HCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1 ZINC000498852190 1078919576 /nfs/dbraw/zinc/91/95/76/1078919576.db2.gz GXVCIXSRJZDUFF-UHFFFAOYSA-N 2 2 405.587 0.772 20 0 HCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1 ZINC000498852190 1078919570 /nfs/dbraw/zinc/91/95/70/1078919570.db2.gz GXVCIXSRJZDUFF-UHFFFAOYSA-N 2 2 405.587 0.772 20 0 HCADLP Cc1cc(N2CCC(NC(=O)C(=O)NCC[N@@H+]3CC=C(C)CC3)CC2)nc(C)[nH+]1 ZINC000498876054 1078931637 /nfs/dbraw/zinc/93/16/37/1078931637.db2.gz URLDGCHYAVHWLA-UHFFFAOYSA-N 2 2 400.527 0.947 20 0 HCADLP Cc1cc(N2CCC(NC(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)nc(C)[nH+]1 ZINC000498876054 1078931620 /nfs/dbraw/zinc/93/16/20/1078931620.db2.gz URLDGCHYAVHWLA-UHFFFAOYSA-N 2 2 400.527 0.947 20 0 HCADLP CC[N@H+]1C[C@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000498904002 1078941231 /nfs/dbraw/zinc/94/12/31/1078941231.db2.gz FIYAPBUHTRAADB-CVEARBPZSA-N 2 2 400.531 0.426 20 0 HCADLP CC[N@@H+]1C[C@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000498904002 1078941222 /nfs/dbraw/zinc/94/12/22/1078941222.db2.gz FIYAPBUHTRAADB-CVEARBPZSA-N 2 2 400.531 0.426 20 0 HCADLP CC[N@H+]1C[C@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C ZINC000498904003 1078941506 /nfs/dbraw/zinc/94/15/06/1078941506.db2.gz FIYAPBUHTRAADB-HOTGVXAUSA-N 2 2 400.531 0.426 20 0 HCADLP CC[N@@H+]1C[C@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C ZINC000498904003 1078941494 /nfs/dbraw/zinc/94/14/94/1078941494.db2.gz FIYAPBUHTRAADB-HOTGVXAUSA-N 2 2 400.531 0.426 20 0 HCADLP CC[N@H+]1C[C@@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000498904004 1078941443 /nfs/dbraw/zinc/94/14/43/1078941443.db2.gz FIYAPBUHTRAADB-HZPDHXFCSA-N 2 2 400.531 0.426 20 0 HCADLP CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000498904004 1078941431 /nfs/dbraw/zinc/94/14/31/1078941431.db2.gz FIYAPBUHTRAADB-HZPDHXFCSA-N 2 2 400.531 0.426 20 0 HCADLP CC[N@H+]1C[C@@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C ZINC000498904005 1078941312 /nfs/dbraw/zinc/94/13/12/1078941312.db2.gz FIYAPBUHTRAADB-JKSUJKDBSA-N 2 2 400.531 0.426 20 0 HCADLP CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C ZINC000498904005 1078941306 /nfs/dbraw/zinc/94/13/06/1078941306.db2.gz FIYAPBUHTRAADB-JKSUJKDBSA-N 2 2 400.531 0.426 20 0 HCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)CC1 ZINC000498939801 1078961017 /nfs/dbraw/zinc/96/10/17/1078961017.db2.gz PEEPQVVNTQZOSB-FQEVSTJZSA-N 2 2 421.586 0.008 20 0 HCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)CC1 ZINC000498939801 1078961002 /nfs/dbraw/zinc/96/10/02/1078961002.db2.gz PEEPQVVNTQZOSB-FQEVSTJZSA-N 2 2 421.586 0.008 20 0 HCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC000498939801 1078960980 /nfs/dbraw/zinc/96/09/80/1078960980.db2.gz PEEPQVVNTQZOSB-FQEVSTJZSA-N 2 2 421.586 0.008 20 0 HCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC000498939801 1078960965 /nfs/dbraw/zinc/96/09/65/1078960965.db2.gz PEEPQVVNTQZOSB-FQEVSTJZSA-N 2 2 421.586 0.008 20 0 HCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)CC1 ZINC000498939804 1078960881 /nfs/dbraw/zinc/96/08/81/1078960881.db2.gz PEEPQVVNTQZOSB-HXUWFJFHSA-N 2 2 421.586 0.008 20 0 HCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)CC1 ZINC000498939804 1078960878 /nfs/dbraw/zinc/96/08/78/1078960878.db2.gz PEEPQVVNTQZOSB-HXUWFJFHSA-N 2 2 421.586 0.008 20 0 HCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC000498939804 1078960872 /nfs/dbraw/zinc/96/08/72/1078960872.db2.gz PEEPQVVNTQZOSB-HXUWFJFHSA-N 2 2 421.586 0.008 20 0 HCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC000498939804 1078960866 /nfs/dbraw/zinc/96/08/66/1078960866.db2.gz PEEPQVVNTQZOSB-HXUWFJFHSA-N 2 2 421.586 0.008 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000499017287 1079007931 /nfs/dbraw/zinc/00/79/31/1079007931.db2.gz QWBNIKJGYITXCF-UHFFFAOYSA-N 2 2 419.526 0.696 20 0 HCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)([NH+]2CCCCC2)CC1 ZINC000499231155 1079102121 /nfs/dbraw/zinc/10/21/21/1079102121.db2.gz GUAXXMWURVIIBH-RBUKOAKNSA-N 2 2 422.570 0.459 20 0 HCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323392 1079144308 /nfs/dbraw/zinc/14/43/08/1079144308.db2.gz FYDCVXGKNMSVDE-FUHWJXTLSA-N 2 2 406.527 0.986 20 0 HCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323392 1079144306 /nfs/dbraw/zinc/14/43/06/1079144306.db2.gz FYDCVXGKNMSVDE-FUHWJXTLSA-N 2 2 406.527 0.986 20 0 HCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323393 1079144389 /nfs/dbraw/zinc/14/43/89/1079144389.db2.gz FYDCVXGKNMSVDE-WMZOPIPTSA-N 2 2 406.527 0.986 20 0 HCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323393 1079144386 /nfs/dbraw/zinc/14/43/86/1079144386.db2.gz FYDCVXGKNMSVDE-WMZOPIPTSA-N 2 2 406.527 0.986 20 0 HCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323451 1079144280 /nfs/dbraw/zinc/14/42/80/1079144280.db2.gz FYDCVXGKNMSVDE-AEFFLSMTSA-N 2 2 406.527 0.986 20 0 HCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323451 1079144279 /nfs/dbraw/zinc/14/42/79/1079144279.db2.gz FYDCVXGKNMSVDE-AEFFLSMTSA-N 2 2 406.527 0.986 20 0 HCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323452 1079144336 /nfs/dbraw/zinc/14/43/36/1079144336.db2.gz FYDCVXGKNMSVDE-SJLPKXTDSA-N 2 2 406.527 0.986 20 0 HCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323452 1079144331 /nfs/dbraw/zinc/14/43/31/1079144331.db2.gz FYDCVXGKNMSVDE-SJLPKXTDSA-N 2 2 406.527 0.986 20 0 HCADLP COC(=O)CCN1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000499466954 1080419107 /nfs/dbraw/zinc/41/91/07/1080419107.db2.gz MPKVDSWCGHIPCJ-KRWDZBQOSA-N 2 2 409.531 0.008 20 0 HCADLP COC(=O)CCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000499466955 1080418935 /nfs/dbraw/zinc/41/89/35/1080418935.db2.gz MPKVDSWCGHIPCJ-QGZVFWFLSA-N 2 2 409.531 0.008 20 0 HCADLP CC(C)[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000499608313 1080789524 /nfs/dbraw/zinc/78/95/24/1080789524.db2.gz CZJUCIRMMCRNJZ-FQEVSTJZSA-N 2 2 417.602 0.905 20 0 HCADLP CC(C)[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCN(C)CC1 ZINC000499608313 1080789516 /nfs/dbraw/zinc/78/95/16/1080789516.db2.gz CZJUCIRMMCRNJZ-FQEVSTJZSA-N 2 2 417.602 0.905 20 0 HCADLP CC(C)[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000499608315 1080789347 /nfs/dbraw/zinc/78/93/47/1080789347.db2.gz CZJUCIRMMCRNJZ-HXUWFJFHSA-N 2 2 417.602 0.905 20 0 HCADLP CC(C)[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCN(C)CC1 ZINC000499608315 1080789337 /nfs/dbraw/zinc/78/93/37/1080789337.db2.gz CZJUCIRMMCRNJZ-HXUWFJFHSA-N 2 2 417.602 0.905 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000499651380 1080858347 /nfs/dbraw/zinc/85/83/47/1080858347.db2.gz QHALWFPRTBDJMU-INIZCTEOSA-N 2 2 419.526 0.430 20 0 HCADLP COC(=O)CCN1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000499787024 1081233583 /nfs/dbraw/zinc/23/35/83/1081233583.db2.gz RTPMQAGXSPXZDN-KRWDZBQOSA-N 2 2 423.558 0.400 20 0 HCADLP COC(=O)CCN1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000499787025 1081233373 /nfs/dbraw/zinc/23/33/73/1081233373.db2.gz RTPMQAGXSPXZDN-QGZVFWFLSA-N 2 2 423.558 0.400 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCC2CCC(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000499859691 1081282182 /nfs/dbraw/zinc/28/21/82/1081282182.db2.gz GALAYRVEWKUUCM-GUMHCPJTSA-N 2 2 424.586 0.467 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCC2CCC(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000499859691 1081282176 /nfs/dbraw/zinc/28/21/76/1081282176.db2.gz GALAYRVEWKUUCM-GUMHCPJTSA-N 2 2 424.586 0.467 20 0 HCADLP 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CC[NH+]1CCO[C@@H](C(=O)NCC2CCC(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000499859693 1081282103 /nfs/dbraw/zinc/28/21/03/1081282103.db2.gz GALAYRVEWKUUCM-NTFDOXNWSA-N 2 2 424.586 0.467 20 0 HCADLP CN(CCC[NH+]1CCCC1)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000499910311 1081300740 /nfs/dbraw/zinc/30/07/40/1081300740.db2.gz VLEKQHRTSUPTCV-UHFFFAOYSA-N 2 2 400.531 0.430 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2C(C)(C)C(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2(C)C)C1 ZINC000499960853 1081334187 /nfs/dbraw/zinc/33/41/87/1081334187.db2.gz VLSZXDVZAPAGKX-BANKROOTSA-N 2 2 424.586 0.463 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2C(C)(C)C(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2(C)C)C1 ZINC000499960853 1081334183 /nfs/dbraw/zinc/33/41/83/1081334183.db2.gz VLSZXDVZAPAGKX-BANKROOTSA-N 2 2 424.586 0.463 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2C(C)(C)C(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2(C)C)C1 ZINC000499960853 1081334176 /nfs/dbraw/zinc/33/41/76/1081334176.db2.gz VLSZXDVZAPAGKX-BANKROOTSA-N 2 2 424.586 0.463 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2C(C)(C)C(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2(C)C)C1 ZINC000499960853 1081334170 /nfs/dbraw/zinc/33/41/70/1081334170.db2.gz VLSZXDVZAPAGKX-BANKROOTSA-N 2 2 424.586 0.463 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2C(C)(C)C(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2(C)C)C1 ZINC000499960854 1081334150 /nfs/dbraw/zinc/33/41/50/1081334150.db2.gz VLSZXDVZAPAGKX-JZFKGDSASA-N 2 2 424.586 0.463 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2C(C)(C)C(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2(C)C)C1 ZINC000499960854 1081334147 /nfs/dbraw/zinc/33/41/47/1081334147.db2.gz VLSZXDVZAPAGKX-JZFKGDSASA-N 2 2 424.586 0.463 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2C(C)(C)C(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2(C)C)C1 ZINC000499960855 1081334065 /nfs/dbraw/zinc/33/40/65/1081334065.db2.gz VLSZXDVZAPAGKX-MVYVIFSASA-N 2 2 424.586 0.463 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2C(C)(C)C(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2(C)C)C1 ZINC000499960855 1081334062 /nfs/dbraw/zinc/33/40/62/1081334062.db2.gz VLSZXDVZAPAGKX-MVYVIFSASA-N 2 2 424.586 0.463 20 0 HCADLP CN(C(=O)c1cnc2c(c1)ncn2C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000499989418 1081343687 /nfs/dbraw/zinc/34/36/87/1081343687.db2.gz GDGMWTBXKWIYKB-UHFFFAOYSA-N 2 2 413.526 0.279 20 0 HCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000508943400 1081305425 /nfs/dbraw/zinc/30/54/25/1081305425.db2.gz XWHKKYAHHLHEBP-KRWDZBQOSA-N 2 2 416.526 0.398 20 0 HCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000508943400 1081305415 /nfs/dbraw/zinc/30/54/15/1081305415.db2.gz XWHKKYAHHLHEBP-KRWDZBQOSA-N 2 2 416.526 0.398 20 0 HCADLP CN(CC[NH+]1CCOCC1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C ZINC000508973667 1081339461 /nfs/dbraw/zinc/33/94/61/1081339461.db2.gz VWDVSVAGLMALAD-UHFFFAOYSA-N 2 2 413.570 0.948 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000509712995 1074690085 /nfs/dbraw/zinc/69/00/85/1074690085.db2.gz ITUVYXZAJRUOLN-MSOLQXFVSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000509712995 1074690082 /nfs/dbraw/zinc/69/00/82/1074690082.db2.gz ITUVYXZAJRUOLN-MSOLQXFVSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000509712995 1074690078 /nfs/dbraw/zinc/69/00/78/1074690078.db2.gz ITUVYXZAJRUOLN-MSOLQXFVSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000509712995 1074690074 /nfs/dbraw/zinc/69/00/74/1074690074.db2.gz ITUVYXZAJRUOLN-MSOLQXFVSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000509712997 1074690011 /nfs/dbraw/zinc/69/00/11/1074690011.db2.gz ITUVYXZAJRUOLN-QZTJIDSGSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000509712997 1074690009 /nfs/dbraw/zinc/69/00/09/1074690009.db2.gz ITUVYXZAJRUOLN-QZTJIDSGSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000509712997 1074690003 /nfs/dbraw/zinc/69/00/03/1074690003.db2.gz ITUVYXZAJRUOLN-QZTJIDSGSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000509712997 1074689997 /nfs/dbraw/zinc/68/99/97/1074689997.db2.gz ITUVYXZAJRUOLN-QZTJIDSGSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000509712999 1074689890 /nfs/dbraw/zinc/68/98/90/1074689890.db2.gz ITUVYXZAJRUOLN-ROUUACIJSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000509712999 1074689882 /nfs/dbraw/zinc/68/98/82/1074689882.db2.gz ITUVYXZAJRUOLN-ROUUACIJSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000509712999 1074689876 /nfs/dbraw/zinc/68/98/76/1074689876.db2.gz ITUVYXZAJRUOLN-ROUUACIJSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000509712999 1074689874 /nfs/dbraw/zinc/68/98/74/1074689874.db2.gz ITUVYXZAJRUOLN-ROUUACIJSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000509713001 1074690252 /nfs/dbraw/zinc/69/02/52/1074690252.db2.gz ITUVYXZAJRUOLN-ZWKOTPCHSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000509713001 1074690241 /nfs/dbraw/zinc/69/02/41/1074690241.db2.gz ITUVYXZAJRUOLN-ZWKOTPCHSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000509713001 1074690232 /nfs/dbraw/zinc/69/02/32/1074690232.db2.gz ITUVYXZAJRUOLN-ZWKOTPCHSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000509713001 1074690218 /nfs/dbraw/zinc/69/02/18/1074690218.db2.gz ITUVYXZAJRUOLN-ZWKOTPCHSA-N 2 2 412.481 0.911 20 0 HCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509715815 1074692641 /nfs/dbraw/zinc/69/26/41/1074692641.db2.gz PGAZDXBZVIJARU-UHFFFAOYSA-N 2 2 420.558 0.642 20 0 HCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509715815 1074692636 /nfs/dbraw/zinc/69/26/36/1074692636.db2.gz PGAZDXBZVIJARU-UHFFFAOYSA-N 2 2 420.558 0.642 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000509717510 1074692704 /nfs/dbraw/zinc/69/27/04/1074692704.db2.gz UYWSGPZBMWQGPV-UHFFFAOYSA-N 2 2 408.518 0.945 20 0 HCADLP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000509717510 1074692699 /nfs/dbraw/zinc/69/26/99/1074692699.db2.gz UYWSGPZBMWQGPV-UHFFFAOYSA-N 2 2 408.518 0.945 20 0 HCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000509717510 1074692695 /nfs/dbraw/zinc/69/26/95/1074692695.db2.gz UYWSGPZBMWQGPV-UHFFFAOYSA-N 2 2 408.518 0.945 20 0 HCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000509717510 1074692691 /nfs/dbraw/zinc/69/26/91/1074692691.db2.gz UYWSGPZBMWQGPV-UHFFFAOYSA-N 2 2 408.518 0.945 20 0 HCADLP C[C@H](CNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000534109704 1074567617 /nfs/dbraw/zinc/56/76/17/1074567617.db2.gz PNTJAEPHVFNMFF-GIVPXCGWSA-N 2 2 403.571 0.805 20 0 HCADLP C[C@H](CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000534109704 1074567598 /nfs/dbraw/zinc/56/75/98/1074567598.db2.gz PNTJAEPHVFNMFF-GIVPXCGWSA-N 2 2 403.571 0.805 20 0 HCADLP C[C@H](CNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000534109707 1074567430 /nfs/dbraw/zinc/56/74/30/1074567430.db2.gz PNTJAEPHVFNMFF-HLAWJBBLSA-N 2 2 403.571 0.805 20 0 HCADLP C[C@H](CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000534109707 1074567412 /nfs/dbraw/zinc/56/74/12/1074567412.db2.gz PNTJAEPHVFNMFF-HLAWJBBLSA-N 2 2 403.571 0.805 20 0 HCADLP C[C@H](CNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000534109710 1074567552 /nfs/dbraw/zinc/56/75/52/1074567552.db2.gz PNTJAEPHVFNMFF-HMXCVIKNSA-N 2 2 403.571 0.805 20 0 HCADLP C[C@H](CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000534109710 1074567537 /nfs/dbraw/zinc/56/75/37/1074567537.db2.gz PNTJAEPHVFNMFF-HMXCVIKNSA-N 2 2 403.571 0.805 20 0 HCADLP C[C@H](CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000534109711 1074567317 /nfs/dbraw/zinc/56/73/17/1074567317.db2.gz PNTJAEPHVFNMFF-NRSPTQNISA-N 2 2 403.571 0.805 20 0 HCADLP C[C@H](CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000534109711 1074567302 /nfs/dbraw/zinc/56/73/02/1074567302.db2.gz PNTJAEPHVFNMFF-NRSPTQNISA-N 2 2 403.571 0.805 20 0 HCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(OC)c1 ZINC000534110009 1074567502 /nfs/dbraw/zinc/56/75/02/1074567502.db2.gz SRRDTSLDPDEKNY-INIZCTEOSA-N 2 2 404.467 0.777 20 0 HCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(OC)c1 ZINC000534110011 1074567241 /nfs/dbraw/zinc/56/72/41/1074567241.db2.gz SRRDTSLDPDEKNY-MRXNPFEDSA-N 2 2 404.467 0.777 20 0 HCADLP Cn1cc[nH+]c1N1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000534110357 1074558106 /nfs/dbraw/zinc/55/81/06/1074558106.db2.gz XVUOMZAQTQYXSW-UHFFFAOYSA-N 2 2 404.559 0.693 20 0 HCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000534132193 1074573981 /nfs/dbraw/zinc/57/39/81/1074573981.db2.gz XPGZHQLLKZMNCL-WOJBJXKFSA-N 2 2 424.586 0.374 20 0 HCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)CC1 ZINC000534141413 1074570112 /nfs/dbraw/zinc/57/01/12/1074570112.db2.gz HZXNEMZALFIZHL-UHFFFAOYSA-N 2 2 408.568 0.782 20 0 HCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)CC1 ZINC000534141413 1074570100 /nfs/dbraw/zinc/57/01/00/1074570100.db2.gz HZXNEMZALFIZHL-UHFFFAOYSA-N 2 2 408.568 0.782 20 0 HCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCC[NH+](C)C)cc2)CC1 ZINC000534214347 1074587772 /nfs/dbraw/zinc/58/77/72/1074587772.db2.gz KREHXBOWCLWIHO-UHFFFAOYSA-N 2 2 405.543 0.633 20 0 HCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000534218959 1074588478 /nfs/dbraw/zinc/58/84/78/1074588478.db2.gz AJVJKAHZTFEEOR-UHFFFAOYSA-N 2 2 423.514 0.877 20 0 HCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000534218959 1074588465 /nfs/dbraw/zinc/58/84/65/1074588465.db2.gz AJVJKAHZTFEEOR-UHFFFAOYSA-N 2 2 423.514 0.877 20 0 HCADLP CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359797 1074604479 /nfs/dbraw/zinc/60/44/79/1074604479.db2.gz IXXYSDLWYMLIOS-MOPGFXCFSA-N 2 2 414.616 0.512 20 0 HCADLP CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359797 1074604475 /nfs/dbraw/zinc/60/44/75/1074604475.db2.gz IXXYSDLWYMLIOS-MOPGFXCFSA-N 2 2 414.616 0.512 20 0 HCADLP CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359806 1074605138 /nfs/dbraw/zinc/60/51/38/1074605138.db2.gz IXXYSDLWYMLIOS-OALUTQOASA-N 2 2 414.616 0.512 20 0 HCADLP CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359806 1074605134 /nfs/dbraw/zinc/60/51/34/1074605134.db2.gz IXXYSDLWYMLIOS-OALUTQOASA-N 2 2 414.616 0.512 20 0 HCADLP CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359808 1074605219 /nfs/dbraw/zinc/60/52/19/1074605219.db2.gz IXXYSDLWYMLIOS-RBUKOAKNSA-N 2 2 414.616 0.512 20 0 HCADLP CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359808 1074605217 /nfs/dbraw/zinc/60/52/17/1074605217.db2.gz IXXYSDLWYMLIOS-RBUKOAKNSA-N 2 2 414.616 0.512 20 0 HCADLP CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359809 1074605033 /nfs/dbraw/zinc/60/50/33/1074605033.db2.gz IXXYSDLWYMLIOS-RTBURBONSA-N 2 2 414.616 0.512 20 0 HCADLP CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359809 1074605028 /nfs/dbraw/zinc/60/50/28/1074605028.db2.gz IXXYSDLWYMLIOS-RTBURBONSA-N 2 2 414.616 0.512 20 0 HCADLP CCN1CCN(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C(=O)C1=O ZINC000534361230 1074605172 /nfs/dbraw/zinc/60/51/72/1074605172.db2.gz WABUHLHDMMPSIQ-MOPGFXCFSA-N 2 2 421.586 0.473 20 0 HCADLP CCN1CCN(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C(=O)C1=O ZINC000534361230 1074605168 /nfs/dbraw/zinc/60/51/68/1074605168.db2.gz WABUHLHDMMPSIQ-MOPGFXCFSA-N 2 2 421.586 0.473 20 0 HCADLP CCN1CCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C(=O)C1=O ZINC000534361231 1074605061 /nfs/dbraw/zinc/60/50/61/1074605061.db2.gz WABUHLHDMMPSIQ-OALUTQOASA-N 2 2 421.586 0.473 20 0 HCADLP CCN1CCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C(=O)C1=O ZINC000534361231 1074605055 /nfs/dbraw/zinc/60/50/55/1074605055.db2.gz WABUHLHDMMPSIQ-OALUTQOASA-N 2 2 421.586 0.473 20 0 HCADLP CCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C(=O)C1=O ZINC000534361232 1074604992 /nfs/dbraw/zinc/60/49/92/1074604992.db2.gz WABUHLHDMMPSIQ-RBUKOAKNSA-N 2 2 421.586 0.473 20 0 HCADLP CCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C(=O)C1=O ZINC000534361232 1074604988 /nfs/dbraw/zinc/60/49/88/1074604988.db2.gz WABUHLHDMMPSIQ-RBUKOAKNSA-N 2 2 421.586 0.473 20 0 HCADLP CCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C(=O)C1=O ZINC000534361233 1074605082 /nfs/dbraw/zinc/60/50/82/1074605082.db2.gz WABUHLHDMMPSIQ-RTBURBONSA-N 2 2 421.586 0.473 20 0 HCADLP CCN1CCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C(=O)C1=O ZINC000534361233 1074605078 /nfs/dbraw/zinc/60/50/78/1074605078.db2.gz WABUHLHDMMPSIQ-RTBURBONSA-N 2 2 421.586 0.473 20 0 HCADLP CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534363054 1074605114 /nfs/dbraw/zinc/60/51/14/1074605114.db2.gz ORPBEMDQUSJZSC-MSOLQXFVSA-N 2 2 415.542 0.687 20 0 HCADLP CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534363054 1074605112 /nfs/dbraw/zinc/60/51/12/1074605112.db2.gz ORPBEMDQUSJZSC-MSOLQXFVSA-N 2 2 415.542 0.687 20 0 HCADLP CN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534363075 1074605100 /nfs/dbraw/zinc/60/51/00/1074605100.db2.gz ORPBEMDQUSJZSC-QZTJIDSGSA-N 2 2 415.542 0.687 20 0 HCADLP CN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534363075 1074605095 /nfs/dbraw/zinc/60/50/95/1074605095.db2.gz ORPBEMDQUSJZSC-QZTJIDSGSA-N 2 2 415.542 0.687 20 0 HCADLP CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534363076 1074605187 /nfs/dbraw/zinc/60/51/87/1074605187.db2.gz ORPBEMDQUSJZSC-ROUUACIJSA-N 2 2 415.542 0.687 20 0 HCADLP CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534363076 1074605182 /nfs/dbraw/zinc/60/51/82/1074605182.db2.gz ORPBEMDQUSJZSC-ROUUACIJSA-N 2 2 415.542 0.687 20 0 HCADLP CN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534363079 1074604930 /nfs/dbraw/zinc/60/49/30/1074604930.db2.gz ORPBEMDQUSJZSC-ZWKOTPCHSA-N 2 2 415.542 0.687 20 0 HCADLP CN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534363079 1074604923 /nfs/dbraw/zinc/60/49/23/1074604923.db2.gz ORPBEMDQUSJZSC-ZWKOTPCHSA-N 2 2 415.542 0.687 20 0 HCADLP CN(C(=O)NCCCN1C(=O)CNC1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382881 1074610740 /nfs/dbraw/zinc/61/07/40/1074610740.db2.gz ABHHGDHBGMLPES-MSOLQXFVSA-N 2 2 422.574 0.907 20 0 HCADLP CN(C(=O)NCCCN1C(=O)CNC1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382881 1074610739 /nfs/dbraw/zinc/61/07/39/1074610739.db2.gz ABHHGDHBGMLPES-MSOLQXFVSA-N 2 2 422.574 0.907 20 0 HCADLP CN(C(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382882 1074610854 /nfs/dbraw/zinc/61/08/54/1074610854.db2.gz ABHHGDHBGMLPES-QZTJIDSGSA-N 2 2 422.574 0.907 20 0 HCADLP CN(C(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382882 1074610849 /nfs/dbraw/zinc/61/08/49/1074610849.db2.gz ABHHGDHBGMLPES-QZTJIDSGSA-N 2 2 422.574 0.907 20 0 HCADLP CN(C(=O)NCCCN1C(=O)CNC1=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382883 1074610728 /nfs/dbraw/zinc/61/07/28/1074610728.db2.gz ABHHGDHBGMLPES-ROUUACIJSA-N 2 2 422.574 0.907 20 0 HCADLP CN(C(=O)NCCCN1C(=O)CNC1=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382883 1074610722 /nfs/dbraw/zinc/61/07/22/1074610722.db2.gz ABHHGDHBGMLPES-ROUUACIJSA-N 2 2 422.574 0.907 20 0 HCADLP CN(C(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382884 1074610674 /nfs/dbraw/zinc/61/06/74/1074610674.db2.gz ABHHGDHBGMLPES-ZWKOTPCHSA-N 2 2 422.574 0.907 20 0 HCADLP CN(C(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382884 1074610668 /nfs/dbraw/zinc/61/06/68/1074610668.db2.gz ABHHGDHBGMLPES-ZWKOTPCHSA-N 2 2 422.574 0.907 20 0 HCADLP O=C(CSCC(=O)NCC[NH+]1CCSCC1)NCC[NH+]1CCSCC1 ZINC000534524835 1074645234 /nfs/dbraw/zinc/64/52/34/1074645234.db2.gz DFWLNGPXFQBAJV-UHFFFAOYSA-N 2 2 406.643 0.050 20 0 HCADLP CC[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1CCOC ZINC000534526278 1074645943 /nfs/dbraw/zinc/64/59/43/1074645943.db2.gz RYQAZTAALNLTFN-GOSISDBHSA-N 2 2 405.547 0.351 20 0 HCADLP CC[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1CCOC ZINC000534526278 1074645940 /nfs/dbraw/zinc/64/59/40/1074645940.db2.gz RYQAZTAALNLTFN-GOSISDBHSA-N 2 2 405.547 0.351 20 0 HCADLP CC[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1CCOC ZINC000534526279 1074645815 /nfs/dbraw/zinc/64/58/15/1074645815.db2.gz RYQAZTAALNLTFN-SFHVURJKSA-N 2 2 405.547 0.351 20 0 HCADLP CC[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1CCOC ZINC000534526279 1074645810 /nfs/dbraw/zinc/64/58/10/1074645810.db2.gz RYQAZTAALNLTFN-SFHVURJKSA-N 2 2 405.547 0.351 20 0 HCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534527156 1074646199 /nfs/dbraw/zinc/64/61/99/1074646199.db2.gz ARAUBMQWPWLSHX-UHFFFAOYSA-N 2 2 424.553 0.322 20 0 HCADLP C[NH+]1CCC([C@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)CC1 ZINC000534530633 1074647411 /nfs/dbraw/zinc/64/74/11/1074647411.db2.gz KFGFWEKUQVDNDK-IBGZPJMESA-N 2 2 401.559 0.972 20 0 HCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)CC1 ZINC000534530634 1074647314 /nfs/dbraw/zinc/64/73/14/1074647314.db2.gz KFGFWEKUQVDNDK-LJQANCHMSA-N 2 2 401.559 0.972 20 0 HCADLP Cc1c(CCC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC000534677598 1074675645 /nfs/dbraw/zinc/67/56/45/1074675645.db2.gz JGZPWLUYRJPIGO-UHFFFAOYSA-N 2 2 404.559 0.358 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)C2CCC(CO)CC2)CC1 ZINC000534841123 1074722461 /nfs/dbraw/zinc/72/24/61/1074722461.db2.gz NIOFOZQLOSDJKI-UHFFFAOYSA-N 2 2 401.515 0.495 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)C2CCC(CO)CC2)CC1 ZINC000534841123 1074722449 /nfs/dbraw/zinc/72/24/49/1074722449.db2.gz NIOFOZQLOSDJKI-UHFFFAOYSA-N 2 2 401.515 0.495 20 0 HCADLP CN1C(=O)NC2(CC[NH+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)C1=O ZINC000534863123 1074727646 /nfs/dbraw/zinc/72/76/46/1074727646.db2.gz XVECZRNQSWCTEM-UHFFFAOYSA-N 2 2 400.483 0.137 20 0 HCADLP CN(C(=O)CSCC(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000534906126 1074733932 /nfs/dbraw/zinc/73/39/32/1074733932.db2.gz ZGPLQNVALKRMDL-UHFFFAOYSA-N 2 2 410.506 0.979 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccn1 ZINC000534957179 1074737810 /nfs/dbraw/zinc/73/78/10/1074737810.db2.gz BJCQUZFMKBKYTR-UHFFFAOYSA-N 2 2 417.514 0.872 20 0 HCADLP CN(C(=O)CCC(=O)NC1CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000535156144 1074759949 /nfs/dbraw/zinc/75/99/49/1074759949.db2.gz MTXQWTJOFBATIB-UHFFFAOYSA-N 2 2 421.586 0.522 20 0 HCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)CC1 ZINC000535238252 1074769671 /nfs/dbraw/zinc/76/96/71/1074769671.db2.gz LFQRKZXHNMQMJB-GOSISDBHSA-N 2 2 418.542 0.344 20 0 HCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)CC1 ZINC000535238271 1074769765 /nfs/dbraw/zinc/76/97/65/1074769765.db2.gz LFQRKZXHNMQMJB-SFHVURJKSA-N 2 2 418.542 0.344 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000535260489 1074773894 /nfs/dbraw/zinc/77/38/94/1074773894.db2.gz IVXOVHJRFZQADZ-PMACEKPBSA-N 2 2 402.539 0.456 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000535260507 1074773992 /nfs/dbraw/zinc/77/39/92/1074773992.db2.gz IVXOVHJRFZQADZ-UXHICEINSA-N 2 2 402.539 0.456 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000535260508 1074773735 /nfs/dbraw/zinc/77/37/35/1074773735.db2.gz IVXOVHJRFZQADZ-VQTJNVASSA-N 2 2 402.539 0.456 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000535260509 1074773858 /nfs/dbraw/zinc/77/38/58/1074773858.db2.gz IVXOVHJRFZQADZ-WOJBJXKFSA-N 2 2 402.539 0.456 20 0 HCADLP C[N@@H+](CCCO)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000535262023 1074773975 /nfs/dbraw/zinc/77/39/75/1074773975.db2.gz QFNCZEBJJNFVGH-UHFFFAOYSA-N 2 2 405.547 0.087 20 0 HCADLP C[N@H+](CCCO)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000535262023 1074773969 /nfs/dbraw/zinc/77/39/69/1074773969.db2.gz QFNCZEBJJNFVGH-UHFFFAOYSA-N 2 2 405.547 0.087 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000535262506 1074774712 /nfs/dbraw/zinc/77/47/12/1074774712.db2.gz VXXKJSDRLNOFNE-GOSISDBHSA-N 2 2 417.558 0.399 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000535262521 1074774620 /nfs/dbraw/zinc/77/46/20/1074774620.db2.gz VXXKJSDRLNOFNE-SFHVURJKSA-N 2 2 417.558 0.399 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000535262870 1074774222 /nfs/dbraw/zinc/77/42/22/1074774222.db2.gz XSMZEYQVXBLBTR-UHFFFAOYSA-N 2 2 417.558 0.543 20 0 HCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313351 1074781618 /nfs/dbraw/zinc/78/16/18/1074781618.db2.gz MONWGJPLIBZCSJ-GDBMZVCRSA-N 2 2 405.524 0.604 20 0 HCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313351 1074781611 /nfs/dbraw/zinc/78/16/11/1074781611.db2.gz MONWGJPLIBZCSJ-GDBMZVCRSA-N 2 2 405.524 0.604 20 0 HCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313373 1074781938 /nfs/dbraw/zinc/78/19/38/1074781938.db2.gz MONWGJPLIBZCSJ-GOEBONIOSA-N 2 2 405.524 0.604 20 0 HCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313373 1074781933 /nfs/dbraw/zinc/78/19/33/1074781933.db2.gz MONWGJPLIBZCSJ-GOEBONIOSA-N 2 2 405.524 0.604 20 0 HCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313374 1074781859 /nfs/dbraw/zinc/78/18/59/1074781859.db2.gz MONWGJPLIBZCSJ-HOCLYGCPSA-N 2 2 405.524 0.604 20 0 HCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313374 1074781849 /nfs/dbraw/zinc/78/18/49/1074781849.db2.gz MONWGJPLIBZCSJ-HOCLYGCPSA-N 2 2 405.524 0.604 20 0 HCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313376 1074782080 /nfs/dbraw/zinc/78/20/80/1074782080.db2.gz MONWGJPLIBZCSJ-ZBFHGGJFSA-N 2 2 405.524 0.604 20 0 HCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313376 1074782071 /nfs/dbraw/zinc/78/20/71/1074782071.db2.gz MONWGJPLIBZCSJ-ZBFHGGJFSA-N 2 2 405.524 0.604 20 0 HCADLP CCS(=O)(=O)N1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535330323 1074786436 /nfs/dbraw/zinc/78/64/36/1074786436.db2.gz PUNIRYYMGWCCER-UHFFFAOYSA-N 2 2 403.593 0.468 20 0 HCADLP CCS(=O)(=O)N1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000535330323 1074786429 /nfs/dbraw/zinc/78/64/29/1074786429.db2.gz PUNIRYYMGWCCER-UHFFFAOYSA-N 2 2 403.593 0.468 20 0 HCADLP COCC1(O)CC[NH+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000535381829 1074797605 /nfs/dbraw/zinc/79/76/05/1074797605.db2.gz ANTDXSQYVKZIPM-GOSISDBHSA-N 2 2 405.539 0.997 20 0 HCADLP COCC1(O)CC[NH+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000535381830 1074797632 /nfs/dbraw/zinc/79/76/32/1074797632.db2.gz ANTDXSQYVKZIPM-SFHVURJKSA-N 2 2 405.539 0.997 20 0 HCADLP O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000535545754 1074818471 /nfs/dbraw/zinc/81/84/71/1074818471.db2.gz MMCAGMFENPONEL-UHFFFAOYSA-N 2 2 417.535 0.848 20 0 HCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC000535566670 1075093190 /nfs/dbraw/zinc/09/31/90/1075093190.db2.gz LLKXWIOYSQUQOZ-UHFFFAOYSA-N 2 2 413.522 0.655 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCC[NH+]3CCCC3)ccn2)CC1 ZINC000539431237 1075321478 /nfs/dbraw/zinc/32/14/78/1075321478.db2.gz YSYZGFFGIXQULA-UHFFFAOYSA-N 2 2 402.499 0.010 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)ccn2)CC1 ZINC000539432666 1075321814 /nfs/dbraw/zinc/32/18/14/1075321814.db2.gz PDFJWBCXTMAZES-UHFFFAOYSA-N 2 2 416.526 0.400 20 0 HCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539477986 1075341198 /nfs/dbraw/zinc/34/11/98/1075341198.db2.gz VTFIGWVGZPJCRG-UHFFFAOYSA-N 2 2 416.526 0.350 20 0 HCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539477986 1075341195 /nfs/dbraw/zinc/34/11/95/1075341195.db2.gz VTFIGWVGZPJCRG-UHFFFAOYSA-N 2 2 416.526 0.350 20 0 HCADLP CC[N@@H+](CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000539478269 1075341136 /nfs/dbraw/zinc/34/11/36/1075341136.db2.gz BTLFCBNLOXOAJC-UHFFFAOYSA-N 2 2 402.499 0.008 20 0 HCADLP CC[N@H+](CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000539478269 1075341135 /nfs/dbraw/zinc/34/11/35/1075341135.db2.gz BTLFCBNLOXOAJC-UHFFFAOYSA-N 2 2 402.499 0.008 20 0 HCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(S(N)(=O)=O)CC3)CC2)cc1 ZINC000539478318 1075340675 /nfs/dbraw/zinc/34/06/75/1075340675.db2.gz GGKPDDWHPJGWSE-UHFFFAOYSA-N 2 2 424.567 0.482 20 0 HCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(S(N)(=O)=O)CC3)CC2)cc1 ZINC000539478318 1075340669 /nfs/dbraw/zinc/34/06/69/1075340669.db2.gz GGKPDDWHPJGWSE-UHFFFAOYSA-N 2 2 424.567 0.482 20 0 HCADLP C[C@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(C)(C)C[NH+](C)C ZINC000539480708 1075343475 /nfs/dbraw/zinc/34/34/75/1075343475.db2.gz OVFJGXNMBYHURO-HNNXBMFYSA-N 2 2 418.542 0.500 20 0 HCADLP C[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(C)(C)C[NH+](C)C ZINC000539480709 1075343372 /nfs/dbraw/zinc/34/33/72/1075343372.db2.gz OVFJGXNMBYHURO-OAHLLOKOSA-N 2 2 418.542 0.500 20 0 HCADLP C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539482623 1075339049 /nfs/dbraw/zinc/33/90/49/1075339049.db2.gz SAXPMZKTLYIQMF-UHFFFAOYSA-N 2 2 416.526 0.256 20 0 HCADLP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539483530 1075339262 /nfs/dbraw/zinc/33/92/62/1075339262.db2.gz RJOIPYTZVZMPTA-UHFFFAOYSA-N 2 2 404.515 0.112 20 0 HCADLP C[C@@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C[NH+]1CCCC1 ZINC000539484656 1075339795 /nfs/dbraw/zinc/33/97/95/1075339795.db2.gz GJUGGNQXAHYZLB-INIZCTEOSA-N 2 2 416.526 0.256 20 0 HCADLP C[C@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C[NH+]1CCCC1 ZINC000539484657 1075339654 /nfs/dbraw/zinc/33/96/54/1075339654.db2.gz GJUGGNQXAHYZLB-MRXNPFEDSA-N 2 2 416.526 0.256 20 0 HCADLP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539486003 1075345025 /nfs/dbraw/zinc/34/50/25/1075345025.db2.gz WVDOPTPVUHHDES-INIZCTEOSA-N 2 2 402.499 0.008 20 0 HCADLP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539486003 1075345021 /nfs/dbraw/zinc/34/50/21/1075345021.db2.gz WVDOPTPVUHHDES-INIZCTEOSA-N 2 2 402.499 0.008 20 0 HCADLP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539486004 1075345057 /nfs/dbraw/zinc/34/50/57/1075345057.db2.gz WVDOPTPVUHHDES-MRXNPFEDSA-N 2 2 402.499 0.008 20 0 HCADLP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539486004 1075345054 /nfs/dbraw/zinc/34/50/54/1075345054.db2.gz WVDOPTPVUHHDES-MRXNPFEDSA-N 2 2 402.499 0.008 20 0 HCADLP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539487249 1075345441 /nfs/dbraw/zinc/34/54/41/1075345441.db2.gz VYSSPLLKJGZWCE-UHFFFAOYSA-N 2 2 416.526 0.256 20 0 HCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000539487516 1075346608 /nfs/dbraw/zinc/34/66/08/1075346608.db2.gz VAKLZCWYFQCFHH-UHFFFAOYSA-N 2 2 416.526 0.208 20 0 HCADLP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539487591 1075346582 /nfs/dbraw/zinc/34/65/82/1075346582.db2.gz XHKUTBZTGHDPGH-UHFFFAOYSA-N 2 2 404.515 0.254 20 0 HCADLP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539487591 1075346579 /nfs/dbraw/zinc/34/65/79/1075346579.db2.gz XHKUTBZTGHDPGH-UHFFFAOYSA-N 2 2 404.515 0.254 20 0 HCADLP CN(C(=O)NCC(=O)N1CCOCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539566067 1075379349 /nfs/dbraw/zinc/37/93/49/1075379349.db2.gz OWKFHCGNWHUMST-MOPGFXCFSA-N 2 2 409.575 0.824 20 0 HCADLP CN(C(=O)NCC(=O)N1CCOCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539566067 1075379346 /nfs/dbraw/zinc/37/93/46/1075379346.db2.gz OWKFHCGNWHUMST-MOPGFXCFSA-N 2 2 409.575 0.824 20 0 HCADLP CN(C(=O)NCC(=O)N1CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539566071 1075379505 /nfs/dbraw/zinc/37/95/05/1075379505.db2.gz OWKFHCGNWHUMST-OALUTQOASA-N 2 2 409.575 0.824 20 0 HCADLP CN(C(=O)NCC(=O)N1CCOCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539566071 1075379499 /nfs/dbraw/zinc/37/94/99/1075379499.db2.gz OWKFHCGNWHUMST-OALUTQOASA-N 2 2 409.575 0.824 20 0 HCADLP CN(C(=O)NCC(=O)N1CCOCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539566072 1075379450 /nfs/dbraw/zinc/37/94/50/1075379450.db2.gz OWKFHCGNWHUMST-RBUKOAKNSA-N 2 2 409.575 0.824 20 0 HCADLP CN(C(=O)NCC(=O)N1CCOCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539566072 1075379444 /nfs/dbraw/zinc/37/94/44/1075379444.db2.gz OWKFHCGNWHUMST-RBUKOAKNSA-N 2 2 409.575 0.824 20 0 HCADLP CN(C(=O)NCC(=O)N1CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539566073 1075379324 /nfs/dbraw/zinc/37/93/24/1075379324.db2.gz OWKFHCGNWHUMST-RTBURBONSA-N 2 2 409.575 0.824 20 0 HCADLP CN(C(=O)NCC(=O)N1CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539566073 1075379322 /nfs/dbraw/zinc/37/93/22/1075379322.db2.gz OWKFHCGNWHUMST-RTBURBONSA-N 2 2 409.575 0.824 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCCC3)cc2)CC1 ZINC000539592899 1075392299 /nfs/dbraw/zinc/39/22/99/1075392299.db2.gz HUAFBSQBGQOHSW-KRWDZBQOSA-N 2 2 415.538 0.890 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2)CC1 ZINC000539592900 1075392272 /nfs/dbraw/zinc/39/22/72/1075392272.db2.gz HUAFBSQBGQOHSW-QGZVFWFLSA-N 2 2 415.538 0.890 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000539640719 1075412862 /nfs/dbraw/zinc/41/28/62/1075412862.db2.gz SPSGXDWLWBNDEF-JXFKEZNVSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000539640719 1075412858 /nfs/dbraw/zinc/41/28/58/1075412858.db2.gz SPSGXDWLWBNDEF-JXFKEZNVSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000539640720 1075412804 /nfs/dbraw/zinc/41/28/04/1075412804.db2.gz SPSGXDWLWBNDEF-OXJNMPFZSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000539640720 1075412801 /nfs/dbraw/zinc/41/28/01/1075412801.db2.gz SPSGXDWLWBNDEF-OXJNMPFZSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000539640721 1075412838 /nfs/dbraw/zinc/41/28/38/1075412838.db2.gz SPSGXDWLWBNDEF-OXQOHEQNSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000539640721 1075412833 /nfs/dbraw/zinc/41/28/33/1075412833.db2.gz SPSGXDWLWBNDEF-OXQOHEQNSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000539640722 1075412814 /nfs/dbraw/zinc/41/28/14/1075412814.db2.gz SPSGXDWLWBNDEF-UZLBHIALSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000539640722 1075412812 /nfs/dbraw/zinc/41/28/12/1075412812.db2.gz SPSGXDWLWBNDEF-UZLBHIALSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000539640847 1075412209 /nfs/dbraw/zinc/41/22/09/1075412209.db2.gz XMBUNJAOUALQHA-IBGZPJMESA-N 2 2 413.522 0.642 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000539640847 1075412204 /nfs/dbraw/zinc/41/22/04/1075412204.db2.gz XMBUNJAOUALQHA-IBGZPJMESA-N 2 2 413.522 0.642 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000539640848 1075412295 /nfs/dbraw/zinc/41/22/95/1075412295.db2.gz XMBUNJAOUALQHA-LJQANCHMSA-N 2 2 413.522 0.642 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000539640848 1075412289 /nfs/dbraw/zinc/41/22/89/1075412289.db2.gz XMBUNJAOUALQHA-LJQANCHMSA-N 2 2 413.522 0.642 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000539642393 1075413330 /nfs/dbraw/zinc/41/33/30/1075413330.db2.gz RHBAJPKPEFMKRR-UHFFFAOYSA-N 2 2 413.522 0.667 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000539642393 1075413321 /nfs/dbraw/zinc/41/33/21/1075413321.db2.gz RHBAJPKPEFMKRR-UHFFFAOYSA-N 2 2 413.522 0.667 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)cc2)CC1 ZINC000539642491 1075412793 /nfs/dbraw/zinc/41/27/93/1075412793.db2.gz UZIQDSYBGGIPEU-INIZCTEOSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2)CC1 ZINC000539642491 1075412792 /nfs/dbraw/zinc/41/27/92/1075412792.db2.gz UZIQDSYBGGIPEU-INIZCTEOSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)cc2)CC1 ZINC000539642492 1075412771 /nfs/dbraw/zinc/41/27/71/1075412771.db2.gz UZIQDSYBGGIPEU-MRXNPFEDSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2)CC1 ZINC000539642492 1075412767 /nfs/dbraw/zinc/41/27/67/1075412767.db2.gz UZIQDSYBGGIPEU-MRXNPFEDSA-N 2 2 415.538 0.888 20 0 HCADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000539703197 1075435871 /nfs/dbraw/zinc/43/58/71/1075435871.db2.gz JQLSEUKDIOWPRU-AEFFLSMTSA-N 2 2 405.495 0.650 20 0 HCADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000539703198 1075435933 /nfs/dbraw/zinc/43/59/33/1075435933.db2.gz JQLSEUKDIOWPRU-FUHWJXTLSA-N 2 2 405.495 0.650 20 0 HCADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000539703199 1075435794 /nfs/dbraw/zinc/43/57/94/1075435794.db2.gz JQLSEUKDIOWPRU-SJLPKXTDSA-N 2 2 405.495 0.650 20 0 HCADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000539703200 1075436436 /nfs/dbraw/zinc/43/64/36/1075436436.db2.gz JQLSEUKDIOWPRU-WMZOPIPTSA-N 2 2 405.495 0.650 20 0 HCADLP Cn1cc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c(=O)n(C)c1=O ZINC000539714257 1075437785 /nfs/dbraw/zinc/43/77/85/1075437785.db2.gz YHIUASZRDACHOD-UHFFFAOYSA-N 2 2 415.494 0.035 20 0 HCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCNC(=O)N(C)C)CC2)cc1 ZINC000539728939 1075442441 /nfs/dbraw/zinc/44/24/41/1075442441.db2.gz VCTJRHSLLHBLRS-UHFFFAOYSA-N 2 2 405.543 0.933 20 0 HCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCNC(=O)N(C)C)CC2)cc1 ZINC000539728939 1075442437 /nfs/dbraw/zinc/44/24/37/1075442437.db2.gz VCTJRHSLLHBLRS-UHFFFAOYSA-N 2 2 405.543 0.933 20 0 HCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCNC(=O)N(C)C)CC2)cc1 ZINC000539728939 1075442429 /nfs/dbraw/zinc/44/24/29/1075442429.db2.gz VCTJRHSLLHBLRS-UHFFFAOYSA-N 2 2 405.543 0.933 20 0 HCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCNC(=O)N(C)C)CC2)cc1 ZINC000539728939 1075442423 /nfs/dbraw/zinc/44/24/23/1075442423.db2.gz VCTJRHSLLHBLRS-UHFFFAOYSA-N 2 2 405.543 0.933 20 0 HCADLP C[NH+]1CCN([C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000539752881 1075450445 /nfs/dbraw/zinc/45/04/45/1075450445.db2.gz KAUUTZKPWBIYFT-NRFANRHFSA-N 2 2 416.566 0.661 20 0 HCADLP C[NH+]1CCN([C@@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000539752882 1075450313 /nfs/dbraw/zinc/45/03/13/1075450313.db2.gz KAUUTZKPWBIYFT-OAQYLSRUSA-N 2 2 416.566 0.661 20 0 HCADLP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000539797442 1075468164 /nfs/dbraw/zinc/46/81/64/1075468164.db2.gz YINVKAGQEJOZCQ-LJQANCHMSA-N 2 2 406.571 0.938 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCC2CCC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000539963429 1075524711 /nfs/dbraw/zinc/52/47/11/1075524711.db2.gz YWGJTUPDASZBOQ-BTRQGYIVSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCC2CCC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000539963429 1075524705 /nfs/dbraw/zinc/52/47/05/1075524705.db2.gz YWGJTUPDASZBOQ-BTRQGYIVSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2CCC(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000539963429 1075524699 /nfs/dbraw/zinc/52/46/99/1075524699.db2.gz YWGJTUPDASZBOQ-BTRQGYIVSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2CCC(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000539963429 1075524695 /nfs/dbraw/zinc/52/46/95/1075524695.db2.gz YWGJTUPDASZBOQ-BTRQGYIVSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCC2CCC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000539963438 1075524864 /nfs/dbraw/zinc/52/48/64/1075524864.db2.gz YWGJTUPDASZBOQ-CSODTCANSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCC2CCC(NC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000539963438 1075524860 /nfs/dbraw/zinc/52/48/60/1075524860.db2.gz YWGJTUPDASZBOQ-CSODTCANSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2CCC(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000539963438 1075524850 /nfs/dbraw/zinc/52/48/50/1075524850.db2.gz YWGJTUPDASZBOQ-CSODTCANSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2CCC(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000539963438 1075524838 /nfs/dbraw/zinc/52/48/38/1075524838.db2.gz YWGJTUPDASZBOQ-CSODTCANSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCC2CCC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000539963440 1075524621 /nfs/dbraw/zinc/52/46/21/1075524621.db2.gz YWGJTUPDASZBOQ-GMNCBBECSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCC2CCC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000539963440 1075524615 /nfs/dbraw/zinc/52/46/15/1075524615.db2.gz YWGJTUPDASZBOQ-GMNCBBECSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2CCC(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000539963440 1075524610 /nfs/dbraw/zinc/52/46/10/1075524610.db2.gz YWGJTUPDASZBOQ-GMNCBBECSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NC2CCC(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000539963440 1075524605 /nfs/dbraw/zinc/52/46/05/1075524605.db2.gz YWGJTUPDASZBOQ-GMNCBBECSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCC2CCC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000539963442 1075524954 /nfs/dbraw/zinc/52/49/54/1075524954.db2.gz YWGJTUPDASZBOQ-WZOJCFFYSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCC2CCC(NC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000539963442 1075524949 /nfs/dbraw/zinc/52/49/49/1075524949.db2.gz YWGJTUPDASZBOQ-WZOJCFFYSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2CCC(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000539963442 1075524942 /nfs/dbraw/zinc/52/49/42/1075524942.db2.gz YWGJTUPDASZBOQ-WZOJCFFYSA-N 2 2 410.559 0.219 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NC2CCC(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000539963442 1075524934 /nfs/dbraw/zinc/52/49/34/1075524934.db2.gz YWGJTUPDASZBOQ-WZOJCFFYSA-N 2 2 410.559 0.219 20 0 HCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000540037069 1075546462 /nfs/dbraw/zinc/54/64/62/1075546462.db2.gz VVIPSQSKOALKCO-FQEVSTJZSA-N 2 2 403.523 0.573 20 0 HCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000540037069 1075546454 /nfs/dbraw/zinc/54/64/54/1075546454.db2.gz VVIPSQSKOALKCO-FQEVSTJZSA-N 2 2 403.523 0.573 20 0 HCADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000540037072 1075546264 /nfs/dbraw/zinc/54/62/64/1075546264.db2.gz VVIPSQSKOALKCO-HXUWFJFHSA-N 2 2 403.523 0.573 20 0 HCADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000540037072 1075546257 /nfs/dbraw/zinc/54/62/57/1075546257.db2.gz VVIPSQSKOALKCO-HXUWFJFHSA-N 2 2 403.523 0.573 20 0 HCADLP C[NH+]1CCN(C(=O)CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000540067257 1075553653 /nfs/dbraw/zinc/55/36/53/1075553653.db2.gz SJEYPIBDCUXRLK-FQEVSTJZSA-N 2 2 400.571 0.690 20 0 HCADLP C[NH+]1CCN(C(=O)CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000540067261 1075553669 /nfs/dbraw/zinc/55/36/69/1075553669.db2.gz SJEYPIBDCUXRLK-HXUWFJFHSA-N 2 2 400.571 0.690 20 0 HCADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000540099614 1075559982 /nfs/dbraw/zinc/55/99/82/1075559982.db2.gz DSMRJVHDIUAULF-UHFFFAOYSA-N 2 2 406.531 0.531 20 0 HCADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000540099614 1075559979 /nfs/dbraw/zinc/55/99/79/1075559979.db2.gz DSMRJVHDIUAULF-UHFFFAOYSA-N 2 2 406.531 0.531 20 0 HCADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540132062 1075569461 /nfs/dbraw/zinc/56/94/61/1075569461.db2.gz IZZASVGMFOXSGI-IBGZPJMESA-N 2 2 415.538 0.595 20 0 HCADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540132063 1075569582 /nfs/dbraw/zinc/56/95/82/1075569582.db2.gz IZZASVGMFOXSGI-LJQANCHMSA-N 2 2 415.538 0.595 20 0 HCADLP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@@H](C)O1 ZINC000540164331 1075579334 /nfs/dbraw/zinc/57/93/34/1075579334.db2.gz MFIUHVCXYZVLHY-LMMKCTJWSA-N 3 2 410.559 0.266 20 0 HCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@H](C)O1 ZINC000540164338 1075579452 /nfs/dbraw/zinc/57/94/52/1075579452.db2.gz MFIUHVCXYZVLHY-SCTDSRPQSA-N 3 2 410.559 0.266 20 0 HCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@H](C)O1 ZINC000540164338 1075579443 /nfs/dbraw/zinc/57/94/43/1075579443.db2.gz MFIUHVCXYZVLHY-SCTDSRPQSA-N 3 2 410.559 0.266 20 0 HCADLP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@@H](C)O1 ZINC000540164342 1075579391 /nfs/dbraw/zinc/57/93/91/1075579391.db2.gz MFIUHVCXYZVLHY-ZHALLVOQSA-N 3 2 410.559 0.266 20 0 HCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@H](C)O1 ZINC000540164345 1075579472 /nfs/dbraw/zinc/57/94/72/1075579472.db2.gz MFIUHVCXYZVLHY-ZIFCJYIRSA-N 3 2 410.559 0.266 20 0 HCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@H](C)O1 ZINC000540164345 1075579467 /nfs/dbraw/zinc/57/94/67/1075579467.db2.gz MFIUHVCXYZVLHY-ZIFCJYIRSA-N 3 2 410.559 0.266 20 0 HCADLP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CC(=O)N(c4cnccn4)C3=O)CC2)C[C@@H](C)O1 ZINC000540165309 1075577167 /nfs/dbraw/zinc/57/71/67/1075577167.db2.gz RVRPFMNLPNMIRE-JFIYKMOQSA-N 2 2 417.510 0.699 20 0 HCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3CC(=O)N(c4cnccn4)C3=O)CC2)C[C@H](C)O1 ZINC000540165311 1075577197 /nfs/dbraw/zinc/57/71/97/1075577197.db2.gz RVRPFMNLPNMIRE-JZXOWHBKSA-N 2 2 417.510 0.699 20 0 HCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3CC(=O)N(c4cnccn4)C3=O)CC2)C[C@H](C)O1 ZINC000540165311 1075577193 /nfs/dbraw/zinc/57/71/93/1075577193.db2.gz RVRPFMNLPNMIRE-JZXOWHBKSA-N 2 2 417.510 0.699 20 0 HCADLP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3CC(=O)N(c4cnccn4)C3=O)CC2)C[C@@H](C)O1 ZINC000540165313 1075577112 /nfs/dbraw/zinc/57/71/12/1075577112.db2.gz RVRPFMNLPNMIRE-NUJGCVRESA-N 2 2 417.510 0.699 20 0 HCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CC(=O)N(c4cnccn4)C3=O)CC2)C[C@H](C)O1 ZINC000540165314 1075577098 /nfs/dbraw/zinc/57/70/98/1075577098.db2.gz RVRPFMNLPNMIRE-SOLBZPMBSA-N 2 2 417.510 0.699 20 0 HCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CC(=O)N(c4cnccn4)C3=O)CC2)C[C@H](C)O1 ZINC000540165314 1075577094 /nfs/dbraw/zinc/57/70/94/1075577094.db2.gz RVRPFMNLPNMIRE-SOLBZPMBSA-N 2 2 417.510 0.699 20 0 HCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181945 1075580288 /nfs/dbraw/zinc/58/02/88/1075580288.db2.gz IRHMXGMHNJDBSK-CRAIPNDOSA-N 2 2 410.540 0.642 20 0 HCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181955 1075580152 /nfs/dbraw/zinc/58/01/52/1075580152.db2.gz IRHMXGMHNJDBSK-MAUKXSAKSA-N 2 2 410.540 0.642 20 0 HCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181957 1075580442 /nfs/dbraw/zinc/58/04/42/1075580442.db2.gz IRHMXGMHNJDBSK-QAPCUYQASA-N 2 2 410.540 0.642 20 0 HCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540181959 1075580400 /nfs/dbraw/zinc/58/04/00/1075580400.db2.gz IRHMXGMHNJDBSK-YJBOKZPZSA-N 2 2 410.540 0.642 20 0 HCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000540183952 1075580177 /nfs/dbraw/zinc/58/01/77/1075580177.db2.gz VSJASUZSPHWUOR-IEIRFRATSA-N 2 2 416.566 0.971 20 0 HCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000540183956 1075580234 /nfs/dbraw/zinc/58/02/34/1075580234.db2.gz VSJASUZSPHWUOR-RRPUWOKSSA-N 2 2 416.566 0.971 20 0 HCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000540183959 1075580339 /nfs/dbraw/zinc/58/03/39/1075580339.db2.gz VSJASUZSPHWUOR-WPYKKVEZSA-N 2 2 416.566 0.971 20 0 HCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000540183963 1075580265 /nfs/dbraw/zinc/58/02/65/1075580265.db2.gz VSJASUZSPHWUOR-XKCSPQBFSA-N 2 2 416.566 0.971 20 0 HCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000540245151 1075589418 /nfs/dbraw/zinc/58/94/18/1075589418.db2.gz OWSPUAYIILISDD-HDICACEKSA-N 2 2 407.559 0.969 20 0 HCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000540245151 1075589409 /nfs/dbraw/zinc/58/94/09/1075589409.db2.gz OWSPUAYIILISDD-HDICACEKSA-N 2 2 407.559 0.969 20 0 HCADLP C[C@@H]1C[NH+](CCOC2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000540245152 1075589796 /nfs/dbraw/zinc/58/97/96/1075589796.db2.gz OWSPUAYIILISDD-QZTJIDSGSA-N 2 2 407.559 0.969 20 0 HCADLP C[C@H]1C[NH+](CCOC2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000540245219 1075589868 /nfs/dbraw/zinc/58/98/68/1075589868.db2.gz OWSPUAYIILISDD-ROUUACIJSA-N 2 2 407.559 0.969 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000540258635 1075591299 /nfs/dbraw/zinc/59/12/99/1075591299.db2.gz IDJYOHPYNSDWCY-UHFFFAOYSA-N 2 2 400.483 0.594 20 0 HCADLP Cc1cn2cc(NC(=O)C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)ccc2[nH+]1 ZINC000540259596 1075591758 /nfs/dbraw/zinc/59/17/58/1075591758.db2.gz SFTFTZBICCBUGF-UHFFFAOYSA-N 2 2 400.483 0.640 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1C ZINC000540271394 1075605088 /nfs/dbraw/zinc/60/50/88/1075605088.db2.gz UVXNLZYUVPTVIC-UHFFFAOYSA-N 2 2 419.526 0.815 20 0 HCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCCCN1CCCCCC1=O ZINC000540296187 1075607594 /nfs/dbraw/zinc/60/75/94/1075607594.db2.gz MDGJQYXWVLBRPC-UHFFFAOYSA-N 2 2 410.559 0.054 20 0 HCADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000540297538 1075609467 /nfs/dbraw/zinc/60/94/67/1075609467.db2.gz QUPRAWBVHKQLAI-KRWDZBQOSA-N 2 2 419.522 0.637 20 0 HCADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000540297539 1075609586 /nfs/dbraw/zinc/60/95/86/1075609586.db2.gz QUPRAWBVHKQLAI-QGZVFWFLSA-N 2 2 419.522 0.637 20 0 HCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCCOc1ccc(Cl)cc1 ZINC000540297542 1075609440 /nfs/dbraw/zinc/60/94/40/1075609440.db2.gz RHGGSJXLHTYTLA-UHFFFAOYSA-N 2 2 411.930 0.994 20 0 HCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000540298453 1075610767 /nfs/dbraw/zinc/61/07/67/1075610767.db2.gz ZEZXTHMOQKCDHO-UHFFFAOYSA-N 2 2 420.466 0.223 20 0 HCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000540319597 1075619816 /nfs/dbraw/zinc/61/98/16/1075619816.db2.gz UJJUUXYXTJJFCT-UHFFFAOYSA-N 2 2 423.514 0.877 20 0 HCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000540319597 1075619814 /nfs/dbraw/zinc/61/98/14/1075619814.db2.gz UJJUUXYXTJJFCT-UHFFFAOYSA-N 2 2 423.514 0.877 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000540349440 1075632466 /nfs/dbraw/zinc/63/24/66/1075632466.db2.gz PUEVPIZHPMYEJO-KRWDZBQOSA-N 2 2 418.542 0.612 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000540349440 1075632462 /nfs/dbraw/zinc/63/24/62/1075632462.db2.gz PUEVPIZHPMYEJO-KRWDZBQOSA-N 2 2 418.542 0.612 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000540349441 1075632866 /nfs/dbraw/zinc/63/28/66/1075632866.db2.gz PUEVPIZHPMYEJO-QGZVFWFLSA-N 2 2 418.542 0.612 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000540349441 1075632859 /nfs/dbraw/zinc/63/28/59/1075632859.db2.gz PUEVPIZHPMYEJO-QGZVFWFLSA-N 2 2 418.542 0.612 20 0 HCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000540363627 1075643806 /nfs/dbraw/zinc/64/38/06/1075643806.db2.gz SIPNWJUQHWZYHV-HNNXBMFYSA-N 2 2 412.556 0.472 20 0 HCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000540363628 1075643616 /nfs/dbraw/zinc/64/36/16/1075643616.db2.gz SIPNWJUQHWZYHV-OAHLLOKOSA-N 2 2 412.556 0.472 20 0 HCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1 ZINC000540372478 1075640068 /nfs/dbraw/zinc/64/00/68/1075640068.db2.gz OABHMRWNDBVZBZ-UHFFFAOYSA-N 2 2 406.531 0.659 20 0 HCADLP CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000540384525 1075649000 /nfs/dbraw/zinc/64/90/00/1075649000.db2.gz ZNZHTXXGFKPIKJ-MSOLQXFVSA-N 2 2 409.575 0.872 20 0 HCADLP CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000540384526 1075649056 /nfs/dbraw/zinc/64/90/56/1075649056.db2.gz ZNZHTXXGFKPIKJ-QZTJIDSGSA-N 2 2 409.575 0.872 20 0 HCADLP CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000540384527 1075649127 /nfs/dbraw/zinc/64/91/27/1075649127.db2.gz ZNZHTXXGFKPIKJ-ROUUACIJSA-N 2 2 409.575 0.872 20 0 HCADLP CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000540384528 1075649019 /nfs/dbraw/zinc/64/90/19/1075649019.db2.gz ZNZHTXXGFKPIKJ-ZWKOTPCHSA-N 2 2 409.575 0.872 20 0 HCADLP CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1CCOCC1 ZINC000540456131 1075678922 /nfs/dbraw/zinc/67/89/22/1075678922.db2.gz GRWQYXUCZMGNOX-NRFANRHFSA-N 2 2 418.538 0.930 20 0 HCADLP CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1CCOCC1 ZINC000540456140 1075678858 /nfs/dbraw/zinc/67/88/58/1075678858.db2.gz GRWQYXUCZMGNOX-OAQYLSRUSA-N 2 2 418.538 0.930 20 0 HCADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCCC1 ZINC000540528799 1075702446 /nfs/dbraw/zinc/70/24/46/1075702446.db2.gz BKAYWGGUSYMANQ-UHFFFAOYSA-N 2 2 416.526 0.398 20 0 HCADLP C[N@@H+]1CC=C(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000540528896 1075702434 /nfs/dbraw/zinc/70/24/34/1075702434.db2.gz BVSPKQYMFPQBKD-UHFFFAOYSA-N 2 2 422.555 0.095 20 0 HCADLP C[N@H+]1CC=C(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000540528896 1075702426 /nfs/dbraw/zinc/70/24/26/1075702426.db2.gz BVSPKQYMFPQBKD-UHFFFAOYSA-N 2 2 422.555 0.095 20 0 HCADLP CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000540537489 1075706504 /nfs/dbraw/zinc/70/65/04/1075706504.db2.gz CHOZVTIAUAXXAI-KRWDZBQOSA-N 2 2 418.542 0.500 20 0 HCADLP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000540537490 1075706517 /nfs/dbraw/zinc/70/65/17/1075706517.db2.gz CHOZVTIAUAXXAI-QGZVFWFLSA-N 2 2 418.542 0.500 20 0 HCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCN(C(N)=O)CC3)CC2)cc1 ZINC000540548475 1075709663 /nfs/dbraw/zinc/70/96/63/1075709663.db2.gz VROVCOCNFAJVDR-UHFFFAOYSA-N 2 2 403.527 0.816 20 0 HCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCN(C(N)=O)CC3)CC2)cc1 ZINC000540548475 1075709657 /nfs/dbraw/zinc/70/96/57/1075709657.db2.gz VROVCOCNFAJVDR-UHFFFAOYSA-N 2 2 403.527 0.816 20 0 HCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCN(C(N)=O)CC3)CC2)cc1 ZINC000540548475 1075709653 /nfs/dbraw/zinc/70/96/53/1075709653.db2.gz VROVCOCNFAJVDR-UHFFFAOYSA-N 2 2 403.527 0.816 20 0 HCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCN(C(N)=O)CC3)CC2)cc1 ZINC000540548475 1075709648 /nfs/dbraw/zinc/70/96/48/1075709648.db2.gz VROVCOCNFAJVDR-UHFFFAOYSA-N 2 2 403.527 0.816 20 0 HCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000540571599 1075718485 /nfs/dbraw/zinc/71/84/85/1075718485.db2.gz QEYGHZABRYKTCV-SLFFLAALSA-N 2 2 414.554 0.130 20 0 HCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[NH+]1C2 ZINC000540571599 1075718478 /nfs/dbraw/zinc/71/84/78/1075718478.db2.gz QEYGHZABRYKTCV-SLFFLAALSA-N 2 2 414.554 0.130 20 0 HCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[NH+]1C2 ZINC000540571599 1075718472 /nfs/dbraw/zinc/71/84/72/1075718472.db2.gz QEYGHZABRYKTCV-SLFFLAALSA-N 2 2 414.554 0.130 20 0 HCADLP COCC[NH+](C)CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000540572853 1075719468 /nfs/dbraw/zinc/71/94/68/1075719468.db2.gz POEVLBKWMGLZFV-OALUTQOASA-N 2 2 403.527 0.463 20 0 HCADLP COCC[N@@H+](C)CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[NH+]1C2 ZINC000540572853 1075719463 /nfs/dbraw/zinc/71/94/63/1075719463.db2.gz POEVLBKWMGLZFV-OALUTQOASA-N 2 2 403.527 0.463 20 0 HCADLP COCC[N@H+](C)CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[NH+]1C2 ZINC000540572853 1075719457 /nfs/dbraw/zinc/71/94/57/1075719457.db2.gz POEVLBKWMGLZFV-OALUTQOASA-N 2 2 403.527 0.463 20 0 HCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(S(N)(=O)=O)CC3)CC2)cc1 ZINC000540574257 1075719393 /nfs/dbraw/zinc/71/93/93/1075719393.db2.gz CMLCYHVILZVPKD-UHFFFAOYSA-N 2 2 408.568 0.782 20 0 HCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(S(N)(=O)=O)CC3)CC2)cc1 ZINC000540574257 1075719382 /nfs/dbraw/zinc/71/93/82/1075719382.db2.gz CMLCYHVILZVPKD-UHFFFAOYSA-N 2 2 408.568 0.782 20 0 HCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540574695 1075720596 /nfs/dbraw/zinc/72/05/96/1075720596.db2.gz DFRFKEPEEAVIAD-INIZCTEOSA-N 2 2 416.526 0.208 20 0 HCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540574695 1075720595 /nfs/dbraw/zinc/72/05/95/1075720595.db2.gz DFRFKEPEEAVIAD-INIZCTEOSA-N 2 2 416.526 0.208 20 0 HCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540574696 1075720644 /nfs/dbraw/zinc/72/06/44/1075720644.db2.gz DFRFKEPEEAVIAD-MRXNPFEDSA-N 2 2 416.526 0.208 20 0 HCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540574696 1075720635 /nfs/dbraw/zinc/72/06/35/1075720635.db2.gz DFRFKEPEEAVIAD-MRXNPFEDSA-N 2 2 416.526 0.208 20 0 HCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)CC2 ZINC000540576770 1075721672 /nfs/dbraw/zinc/72/16/72/1075721672.db2.gz HNVSEQUHYRNLLZ-SJORKVTESA-N 2 2 414.510 0.103 20 0 HCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)CC2 ZINC000540576770 1075721665 /nfs/dbraw/zinc/72/16/65/1075721665.db2.gz HNVSEQUHYRNLLZ-SJORKVTESA-N 2 2 414.510 0.103 20 0 HCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540579853 1075723894 /nfs/dbraw/zinc/72/38/94/1075723894.db2.gz HZMCHXVEZZNALJ-INIZCTEOSA-N 2 2 402.499 0.008 20 0 HCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540579853 1075723885 /nfs/dbraw/zinc/72/38/85/1075723885.db2.gz HZMCHXVEZZNALJ-INIZCTEOSA-N 2 2 402.499 0.008 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540579856 1075724025 /nfs/dbraw/zinc/72/40/25/1075724025.db2.gz HZMCHXVEZZNALJ-MRXNPFEDSA-N 2 2 402.499 0.008 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540579856 1075724018 /nfs/dbraw/zinc/72/40/18/1075724018.db2.gz HZMCHXVEZZNALJ-MRXNPFEDSA-N 2 2 402.499 0.008 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)ccn2)CC1 ZINC000540584216 1075726067 /nfs/dbraw/zinc/72/60/67/1075726067.db2.gz MUUQHFLVZFFPBJ-AEFFLSMTSA-N 2 2 414.510 0.151 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccn2)CC1 ZINC000540584216 1075726058 /nfs/dbraw/zinc/72/60/58/1075726058.db2.gz MUUQHFLVZFFPBJ-AEFFLSMTSA-N 2 2 414.510 0.151 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)ccn2)CC1 ZINC000540584217 1075725932 /nfs/dbraw/zinc/72/59/32/1075725932.db2.gz MUUQHFLVZFFPBJ-FUHWJXTLSA-N 2 2 414.510 0.151 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)ccn2)CC1 ZINC000540584217 1075725927 /nfs/dbraw/zinc/72/59/27/1075725927.db2.gz MUUQHFLVZFFPBJ-FUHWJXTLSA-N 2 2 414.510 0.151 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)ccn2)CC1 ZINC000540584218 1075726215 /nfs/dbraw/zinc/72/62/15/1075726215.db2.gz MUUQHFLVZFFPBJ-SJLPKXTDSA-N 2 2 414.510 0.151 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)ccn2)CC1 ZINC000540584218 1075726209 /nfs/dbraw/zinc/72/62/09/1075726209.db2.gz MUUQHFLVZFFPBJ-SJLPKXTDSA-N 2 2 414.510 0.151 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)ccn2)CC1 ZINC000540584219 1075725983 /nfs/dbraw/zinc/72/59/83/1075725983.db2.gz MUUQHFLVZFFPBJ-WMZOPIPTSA-N 2 2 414.510 0.151 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)ccn2)CC1 ZINC000540584219 1075725981 /nfs/dbraw/zinc/72/59/81/1075725981.db2.gz MUUQHFLVZFFPBJ-WMZOPIPTSA-N 2 2 414.510 0.151 20 0 HCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540584578 1075727006 /nfs/dbraw/zinc/72/70/06/1075727006.db2.gz PPGLTFFHBFYSAQ-INIZCTEOSA-N 2 2 416.526 0.256 20 0 HCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540584578 1075726998 /nfs/dbraw/zinc/72/69/98/1075726998.db2.gz PPGLTFFHBFYSAQ-INIZCTEOSA-N 2 2 416.526 0.256 20 0 HCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540584582 1075727055 /nfs/dbraw/zinc/72/70/55/1075727055.db2.gz PPGLTFFHBFYSAQ-MRXNPFEDSA-N 2 2 416.526 0.256 20 0 HCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540584582 1075727049 /nfs/dbraw/zinc/72/70/49/1075727049.db2.gz PPGLTFFHBFYSAQ-MRXNPFEDSA-N 2 2 416.526 0.256 20 0 HCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540585211 1075726523 /nfs/dbraw/zinc/72/65/23/1075726523.db2.gz VHQOLMNHKGTXJU-INIZCTEOSA-N 2 2 416.526 0.398 20 0 HCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540585211 1075726518 /nfs/dbraw/zinc/72/65/18/1075726518.db2.gz VHQOLMNHKGTXJU-INIZCTEOSA-N 2 2 416.526 0.398 20 0 HCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540585214 1075726600 /nfs/dbraw/zinc/72/66/00/1075726600.db2.gz VHQOLMNHKGTXJU-MRXNPFEDSA-N 2 2 416.526 0.398 20 0 HCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540585214 1075726595 /nfs/dbraw/zinc/72/65/95/1075726595.db2.gz VHQOLMNHKGTXJU-MRXNPFEDSA-N 2 2 416.526 0.398 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc2)CC1 ZINC000540693789 1075763981 /nfs/dbraw/zinc/76/39/81/1075763981.db2.gz DLMDDAWVYOHKKJ-UHFFFAOYSA-N 2 2 403.527 0.746 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000540694066 1075763915 /nfs/dbraw/zinc/76/39/15/1075763915.db2.gz UKINBLLZLJUHJV-UHFFFAOYSA-N 2 2 401.511 0.500 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000540740002 1075769146 /nfs/dbraw/zinc/76/91/46/1075769146.db2.gz ULROHLDXTZVRQU-GOSISDBHSA-N 2 2 401.511 0.357 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000540740002 1075769142 /nfs/dbraw/zinc/76/91/42/1075769142.db2.gz ULROHLDXTZVRQU-GOSISDBHSA-N 2 2 401.511 0.357 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000540740003 1075768996 /nfs/dbraw/zinc/76/89/96/1075768996.db2.gz ULROHLDXTZVRQU-SFHVURJKSA-N 2 2 401.511 0.357 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000540740003 1075768993 /nfs/dbraw/zinc/76/89/93/1075768993.db2.gz ULROHLDXTZVRQU-SFHVURJKSA-N 2 2 401.511 0.357 20 0 HCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540741200 1075771566 /nfs/dbraw/zinc/77/15/66/1075771566.db2.gz HMCUCJGRUHOJJY-FQEVSTJZSA-N 2 2 415.538 0.890 20 0 HCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540741200 1075771556 /nfs/dbraw/zinc/77/15/56/1075771556.db2.gz HMCUCJGRUHOJJY-FQEVSTJZSA-N 2 2 415.538 0.890 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540741202 1075771488 /nfs/dbraw/zinc/77/14/88/1075771488.db2.gz HMCUCJGRUHOJJY-HXUWFJFHSA-N 2 2 415.538 0.890 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540741202 1075771483 /nfs/dbraw/zinc/77/14/83/1075771483.db2.gz HMCUCJGRUHOJJY-HXUWFJFHSA-N 2 2 415.538 0.890 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000540741757 1075771771 /nfs/dbraw/zinc/77/17/71/1075771771.db2.gz KDODBEZVBUJMAQ-FQEVSTJZSA-N 2 2 415.538 0.746 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000540741759 1075771926 /nfs/dbraw/zinc/77/19/26/1075771926.db2.gz KDODBEZVBUJMAQ-HXUWFJFHSA-N 2 2 415.538 0.746 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000540743836 1075772356 /nfs/dbraw/zinc/77/23/56/1075772356.db2.gz VRJZJJIZTHMDJD-UHFFFAOYSA-N 2 2 401.511 0.500 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000540743836 1075772352 /nfs/dbraw/zinc/77/23/52/1075772352.db2.gz VRJZJJIZTHMDJD-UHFFFAOYSA-N 2 2 401.511 0.500 20 0 HCADLP CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000540780697 1075779103 /nfs/dbraw/zinc/77/91/03/1075779103.db2.gz NJJKFIVGLQSMRD-UHFFFAOYSA-N 2 2 416.632 0.823 20 0 HCADLP O=C1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CN1CC[NH+]1CCOCC1 ZINC000540803004 1075781430 /nfs/dbraw/zinc/78/14/30/1075781430.db2.gz HGTSIBQIQWHLNV-KRWDZBQOSA-N 2 2 413.478 0.828 20 0 HCADLP O=C1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CN1CC[NH+]1CCOCC1 ZINC000540803008 1075781277 /nfs/dbraw/zinc/78/12/77/1075781277.db2.gz HGTSIBQIQWHLNV-QGZVFWFLSA-N 2 2 413.478 0.828 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540884101 1075800708 /nfs/dbraw/zinc/80/07/08/1075800708.db2.gz YWEXBSAGEGHMLZ-HNNXBMFYSA-N 2 2 401.515 0.707 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540884101 1075800707 /nfs/dbraw/zinc/80/07/07/1075800707.db2.gz YWEXBSAGEGHMLZ-HNNXBMFYSA-N 2 2 401.515 0.707 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540884102 1075800679 /nfs/dbraw/zinc/80/06/79/1075800679.db2.gz YWEXBSAGEGHMLZ-OAHLLOKOSA-N 2 2 401.515 0.707 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540884102 1075800677 /nfs/dbraw/zinc/80/06/77/1075800677.db2.gz YWEXBSAGEGHMLZ-OAHLLOKOSA-N 2 2 401.515 0.707 20 0 HCADLP CN(CCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cc[nH+]cc1 ZINC000540927877 1075804651 /nfs/dbraw/zinc/80/46/51/1075804651.db2.gz KXDNOWMBSXOSNI-UHFFFAOYSA-N 2 2 411.510 0.883 20 0 HCADLP CN(CCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cc[nH+]cc1 ZINC000540927877 1075804650 /nfs/dbraw/zinc/80/46/50/1075804650.db2.gz KXDNOWMBSXOSNI-UHFFFAOYSA-N 2 2 411.510 0.883 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H](CO)C2CCCCC2)CC1 ZINC000541055939 1075835729 /nfs/dbraw/zinc/83/57/29/1075835729.db2.gz XEIFGFPVGPNNMP-KRWDZBQOSA-N 2 2 401.515 0.543 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H](CO)C2CCCCC2)CC1 ZINC000541055940 1075835788 /nfs/dbraw/zinc/83/57/88/1075835788.db2.gz XEIFGFPVGPNNMP-QGZVFWFLSA-N 2 2 401.515 0.543 20 0 HCADLP COc1ccc(C(=O)NCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000541154007 1075849470 /nfs/dbraw/zinc/84/94/70/1075849470.db2.gz SAEFTUGOQLEZDS-UHFFFAOYSA-N 2 2 406.527 0.918 20 0 HCADLP COc1ccc(C(=O)NCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000541154007 1075849469 /nfs/dbraw/zinc/84/94/69/1075849469.db2.gz SAEFTUGOQLEZDS-UHFFFAOYSA-N 2 2 406.527 0.918 20 0 HCADLP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000542465102 1077324838 /nfs/dbraw/zinc/32/48/38/1077324838.db2.gz TZOVEQODDPJKOZ-UHFFFAOYSA-N 2 2 419.555 0.186 20 0 HCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000542563436 1077853305 /nfs/dbraw/zinc/85/33/05/1077853305.db2.gz FVQKGMZFAZABEB-FQEVSTJZSA-N 2 2 418.538 0.600 20 0 HCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000542563806 1077859079 /nfs/dbraw/zinc/85/90/79/1077859079.db2.gz FVQKGMZFAZABEB-HXUWFJFHSA-N 2 2 418.538 0.600 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)ccn2)CC1 ZINC000542685665 1080225259 /nfs/dbraw/zinc/22/52/59/1080225259.db2.gz ADSBTDAPWOVEOA-UHFFFAOYSA-N 2 2 416.526 0.798 20 0 HCADLP COCC[NH+]1CCC(NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000542687555 1080226001 /nfs/dbraw/zinc/22/60/01/1080226001.db2.gz VJFICZXBCUOYHJ-UHFFFAOYSA-N 2 2 404.515 0.702 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCCC[N@H+]3CCC[C@@H]3CO)ccn2)CC1 ZINC000542688281 1080227286 /nfs/dbraw/zinc/22/72/86/1080227286.db2.gz YLUJHPXTKQUKKE-GOSISDBHSA-N 2 2 418.542 0.828 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)ccn2)CC1 ZINC000542688281 1080227282 /nfs/dbraw/zinc/22/72/82/1080227282.db2.gz YLUJHPXTKQUKKE-GOSISDBHSA-N 2 2 418.542 0.828 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCCC[N@H+]3CCC[C@H]3CO)ccn2)CC1 ZINC000542688282 1080227361 /nfs/dbraw/zinc/22/73/61/1080227361.db2.gz YLUJHPXTKQUKKE-SFHVURJKSA-N 2 2 418.542 0.828 20 0 HCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)ccn2)CC1 ZINC000542688282 1080227358 /nfs/dbraw/zinc/22/73/58/1080227358.db2.gz YLUJHPXTKQUKKE-SFHVURJKSA-N 2 2 418.542 0.828 20 0 HCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000542688428 1080227313 /nfs/dbraw/zinc/22/73/13/1080227313.db2.gz GYRRVFPWHHAJIS-KRWDZBQOSA-N 2 2 404.515 0.390 20 0 HCADLP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000542688429 1080227509 /nfs/dbraw/zinc/22/75/09/1080227509.db2.gz GYRRVFPWHHAJIS-QGZVFWFLSA-N 2 2 404.515 0.390 20 0 HCADLP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000542688623 1080227382 /nfs/dbraw/zinc/22/73/82/1080227382.db2.gz LNDMJEQLENJRNV-GOSISDBHSA-N 2 2 418.542 0.684 20 0 HCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000542688624 1080227414 /nfs/dbraw/zinc/22/74/14/1080227414.db2.gz LNDMJEQLENJRNV-SFHVURJKSA-N 2 2 418.542 0.684 20 0 HCADLP CN(CCC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000542713443 1080252544 /nfs/dbraw/zinc/25/25/44/1080252544.db2.gz FFKHKPZYTFXSPQ-UHFFFAOYSA-N 2 2 412.560 0.127 20 0 HCADLP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000542745889 1080265738 /nfs/dbraw/zinc/26/57/38/1080265738.db2.gz PDJHVMLZPMWVFM-KRWDZBQOSA-N 2 2 405.547 0.875 20 0 HCADLP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000542745889 1080265727 /nfs/dbraw/zinc/26/57/27/1080265727.db2.gz PDJHVMLZPMWVFM-KRWDZBQOSA-N 2 2 405.547 0.875 20 0 HCADLP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000542745893 1080265646 /nfs/dbraw/zinc/26/56/46/1080265646.db2.gz PDJHVMLZPMWVFM-QGZVFWFLSA-N 2 2 405.547 0.875 20 0 HCADLP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000542745893 1080265636 /nfs/dbraw/zinc/26/56/36/1080265636.db2.gz PDJHVMLZPMWVFM-QGZVFWFLSA-N 2 2 405.547 0.875 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000542842419 1080351404 /nfs/dbraw/zinc/35/14/04/1080351404.db2.gz CVCXCPVINOBJFC-IBGZPJMESA-N 2 2 415.538 0.699 20 0 HCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000542842420 1080351483 /nfs/dbraw/zinc/35/14/83/1080351483.db2.gz CVCXCPVINOBJFC-LJQANCHMSA-N 2 2 415.538 0.699 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(CCCO)CC2)CC1 ZINC000542986489 1080686728 /nfs/dbraw/zinc/68/67/28/1080686728.db2.gz PGFPLDKOXGEXFH-UHFFFAOYSA-N 2 2 401.515 0.496 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050730 1080859431 /nfs/dbraw/zinc/85/94/31/1080859431.db2.gz VOEOIYOJLJASDM-GOSISDBHSA-N 2 2 419.574 0.579 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050730 1080859424 /nfs/dbraw/zinc/85/94/24/1080859424.db2.gz VOEOIYOJLJASDM-GOSISDBHSA-N 2 2 419.574 0.579 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050738 1080861188 /nfs/dbraw/zinc/86/11/88/1080861188.db2.gz VOEOIYOJLJASDM-SFHVURJKSA-N 2 2 419.574 0.579 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050738 1080861183 /nfs/dbraw/zinc/86/11/83/1080861183.db2.gz VOEOIYOJLJASDM-SFHVURJKSA-N 2 2 419.574 0.579 20 0 HCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543060344 1080870792 /nfs/dbraw/zinc/87/07/92/1080870792.db2.gz CIMFUIVEJMWEKE-UHFFFAOYSA-N 2 2 404.559 0.608 20 0 HCADLP CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000543091397 1080894989 /nfs/dbraw/zinc/89/49/89/1080894989.db2.gz LCQHCAMJGBBXIJ-IBGZPJMESA-N 2 2 409.575 0.234 20 0 HCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000543127965 1080958120 /nfs/dbraw/zinc/95/81/20/1080958120.db2.gz DHDHQGDVWWPPSW-INIZCTEOSA-N 2 2 411.572 0.816 20 0 HCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000543127966 1080958349 /nfs/dbraw/zinc/95/83/49/1080958349.db2.gz DHDHQGDVWWPPSW-MRXNPFEDSA-N 2 2 411.572 0.816 20 0 HCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCC(=O)OC(C)(C)C)CC2)CC1 ZINC000543209690 1081044595 /nfs/dbraw/zinc/04/45/95/1081044595.db2.gz ZIGWXOWLLOEGNJ-UHFFFAOYSA-N 2 2 410.559 0.711 20 0 HCADLP Cc1n[nH]c(C)c1[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000543280385 1081086304 /nfs/dbraw/zinc/08/63/04/1081086304.db2.gz OEZIBBNAZGVQDO-HNNXBMFYSA-N 2 2 404.559 0.827 20 0 HCADLP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000543280387 1081086208 /nfs/dbraw/zinc/08/62/08/1081086208.db2.gz OEZIBBNAZGVQDO-OAHLLOKOSA-N 2 2 404.559 0.827 20 0 HCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000543295335 1081091033 /nfs/dbraw/zinc/09/10/33/1081091033.db2.gz CRYFZHHHAYYDSU-UHFFFAOYSA-N 2 2 416.566 0.733 20 0 HCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000543295335 1081091020 /nfs/dbraw/zinc/09/10/20/1081091020.db2.gz CRYFZHHHAYYDSU-UHFFFAOYSA-N 2 2 416.566 0.733 20 0 HCADLP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543297114 1081097960 /nfs/dbraw/zinc/09/79/60/1081097960.db2.gz NDJLJSHNPGSUSU-NRFANRHFSA-N 2 2 417.550 0.870 20 0 HCADLP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543297117 1081098012 /nfs/dbraw/zinc/09/80/12/1081098012.db2.gz NDJLJSHNPGSUSU-OAQYLSRUSA-N 2 2 417.550 0.870 20 0 HCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)c2)CC1 ZINC000543298311 1081099378 /nfs/dbraw/zinc/09/93/78/1081099378.db2.gz ZZJZYJAVBXIPQJ-UHFFFAOYSA-N 2 2 416.566 0.733 20 0 HCADLP COC(CNC(=O)[C@H](C)[NH+]1CCSCC1)CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000543325808 1081111119 /nfs/dbraw/zinc/11/11/19/1081111119.db2.gz BCAHCVODYURVOL-GJZGRUSLSA-N 2 2 418.629 0.108 20 0 HCADLP COC(CNC(=O)[C@@H](C)[NH+]1CCSCC1)CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000543325810 1081111216 /nfs/dbraw/zinc/11/12/16/1081111216.db2.gz BCAHCVODYURVOL-HUUCEWRRSA-N 2 2 418.629 0.108 20 0 HCADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000543370539 1081147454 /nfs/dbraw/zinc/14/74/54/1081147454.db2.gz OGIOKSFRZRIQGS-GOSISDBHSA-N 2 2 419.574 0.333 20 0 HCADLP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000543370540 1081148021 /nfs/dbraw/zinc/14/80/21/1081148021.db2.gz OGIOKSFRZRIQGS-SFHVURJKSA-N 2 2 419.574 0.333 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000543477804 1081250463 /nfs/dbraw/zinc/25/04/63/1081250463.db2.gz DGPJSVHFVPXZNY-DLBZAZTESA-N 2 2 415.542 0.741 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000543477804 1081250457 /nfs/dbraw/zinc/25/04/57/1081250457.db2.gz DGPJSVHFVPXZNY-DLBZAZTESA-N 2 2 415.542 0.741 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000543477805 1081250126 /nfs/dbraw/zinc/25/01/26/1081250126.db2.gz DGPJSVHFVPXZNY-IAGOWNOFSA-N 2 2 415.542 0.741 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000543477805 1081250111 /nfs/dbraw/zinc/25/01/11/1081250111.db2.gz DGPJSVHFVPXZNY-IAGOWNOFSA-N 2 2 415.542 0.741 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000543477806 1081249931 /nfs/dbraw/zinc/24/99/31/1081249931.db2.gz DGPJSVHFVPXZNY-IRXDYDNUSA-N 2 2 415.542 0.741 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000543477806 1081249918 /nfs/dbraw/zinc/24/99/18/1081249918.db2.gz DGPJSVHFVPXZNY-IRXDYDNUSA-N 2 2 415.542 0.741 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000543477807 1081250269 /nfs/dbraw/zinc/25/02/69/1081250269.db2.gz DGPJSVHFVPXZNY-SJORKVTESA-N 2 2 415.542 0.741 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000543477807 1081250255 /nfs/dbraw/zinc/25/02/55/1081250255.db2.gz DGPJSVHFVPXZNY-SJORKVTESA-N 2 2 415.542 0.741 20 0 HCADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3ccn4cc[nH+]c4c3)cn2)CC1 ZINC000556053371 1078396365 /nfs/dbraw/zinc/39/63/65/1078396365.db2.gz RGPXAAYAPNSXPR-UHFFFAOYSA-N 2 2 421.505 0.804 20 0 HCADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000556053844 1078395898 /nfs/dbraw/zinc/39/58/98/1078395898.db2.gz ZDSCZNJDQDCCBG-UHFFFAOYSA-N 2 2 400.527 0.146 20 0 HCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000556061389 1078403922 /nfs/dbraw/zinc/40/39/22/1078403922.db2.gz XFTYPLJHAWIUQD-HDICACEKSA-N 2 2 417.554 0.730 20 0 HCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000556061389 1078403919 /nfs/dbraw/zinc/40/39/19/1078403919.db2.gz XFTYPLJHAWIUQD-HDICACEKSA-N 2 2 417.554 0.730 20 0 HCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000556070928 1078401563 /nfs/dbraw/zinc/40/15/63/1078401563.db2.gz MOPQSPZQIIZNBZ-INIZCTEOSA-N 2 2 409.556 0.136 20 0 HCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000556070930 1078401783 /nfs/dbraw/zinc/40/17/83/1078401783.db2.gz MOPQSPZQIIZNBZ-MRXNPFEDSA-N 2 2 409.556 0.136 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556072212 1078408650 /nfs/dbraw/zinc/40/86/50/1078408650.db2.gz ZUUPTCYKMXUQSE-GOSISDBHSA-N 2 2 421.517 0.167 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000556072215 1078408667 /nfs/dbraw/zinc/40/86/67/1078408667.db2.gz ZUUPTCYKMXUQSE-SFHVURJKSA-N 2 2 421.517 0.167 20 0 HCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000556074251 1078410643 /nfs/dbraw/zinc/41/06/43/1078410643.db2.gz BAWAIDGFMZCIPG-UHFFFAOYSA-N 2 2 417.554 0.731 20 0 HCADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556074595 1078410307 /nfs/dbraw/zinc/41/03/07/1078410307.db2.gz DCWYVJBYTZKKLT-UHFFFAOYSA-N 2 2 408.506 0.906 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000556082979 1078421496 /nfs/dbraw/zinc/42/14/96/1078421496.db2.gz GIVVLWVHGDKNQZ-MOPGFXCFSA-N 2 2 416.570 0.556 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000556082979 1078421491 /nfs/dbraw/zinc/42/14/91/1078421491.db2.gz GIVVLWVHGDKNQZ-MOPGFXCFSA-N 2 2 416.570 0.556 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000556082982 1078421578 /nfs/dbraw/zinc/42/15/78/1078421578.db2.gz GIVVLWVHGDKNQZ-OALUTQOASA-N 2 2 416.570 0.556 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000556082982 1078421575 /nfs/dbraw/zinc/42/15/75/1078421575.db2.gz GIVVLWVHGDKNQZ-OALUTQOASA-N 2 2 416.570 0.556 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000556082984 1078421545 /nfs/dbraw/zinc/42/15/45/1078421545.db2.gz GIVVLWVHGDKNQZ-RBUKOAKNSA-N 2 2 416.570 0.556 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000556082984 1078421541 /nfs/dbraw/zinc/42/15/41/1078421541.db2.gz GIVVLWVHGDKNQZ-RBUKOAKNSA-N 2 2 416.570 0.556 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000556082986 1078421625 /nfs/dbraw/zinc/42/16/25/1078421625.db2.gz GIVVLWVHGDKNQZ-RTBURBONSA-N 2 2 416.570 0.556 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000556082986 1078421623 /nfs/dbraw/zinc/42/16/23/1078421623.db2.gz GIVVLWVHGDKNQZ-RTBURBONSA-N 2 2 416.570 0.556 20 0 HCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000556087413 1078417331 /nfs/dbraw/zinc/41/73/31/1078417331.db2.gz QQHFSFWUVZJTAJ-IBGZPJMESA-N 2 2 414.550 0.732 20 0 HCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000556087413 1078417329 /nfs/dbraw/zinc/41/73/29/1078417329.db2.gz QQHFSFWUVZJTAJ-IBGZPJMESA-N 2 2 414.550 0.732 20 0 HCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000556087415 1078417381 /nfs/dbraw/zinc/41/73/81/1078417381.db2.gz QQHFSFWUVZJTAJ-LJQANCHMSA-N 2 2 414.550 0.732 20 0 HCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000556087415 1078417380 /nfs/dbraw/zinc/41/73/80/1078417380.db2.gz QQHFSFWUVZJTAJ-LJQANCHMSA-N 2 2 414.550 0.732 20 0 HCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000556087441 1078416929 /nfs/dbraw/zinc/41/69/29/1078416929.db2.gz RNRPJOITAXLOGX-UHFFFAOYSA-N 2 2 416.566 0.978 20 0 HCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000556087441 1078416926 /nfs/dbraw/zinc/41/69/26/1078416926.db2.gz RNRPJOITAXLOGX-UHFFFAOYSA-N 2 2 416.566 0.978 20 0 HCADLP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000556099942 1078432820 /nfs/dbraw/zinc/43/28/20/1078432820.db2.gz DEQMVKIMBZCLNY-LEWJYISDSA-N 2 2 424.549 0.979 20 0 HCADLP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000556099943 1078432847 /nfs/dbraw/zinc/43/28/47/1078432847.db2.gz DEQMVKIMBZCLNY-NHCUHLMSSA-N 2 2 424.549 0.979 20 0 HCADLP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000556099944 1078432841 /nfs/dbraw/zinc/43/28/41/1078432841.db2.gz DEQMVKIMBZCLNY-RTWAWAEBSA-N 2 2 424.549 0.979 20 0 HCADLP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000556099945 1078432833 /nfs/dbraw/zinc/43/28/33/1078432833.db2.gz DEQMVKIMBZCLNY-SFTDATJTSA-N 2 2 424.549 0.979 20 0 HCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100073 1078433179 /nfs/dbraw/zinc/43/31/79/1078433179.db2.gz GRRODYSNHBVOCT-FQEVSTJZSA-N 2 2 412.538 0.837 20 0 HCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100076 1078433335 /nfs/dbraw/zinc/43/33/35/1078433335.db2.gz GRRODYSNHBVOCT-HXUWFJFHSA-N 2 2 412.538 0.837 20 0 HCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100873 1078434528 /nfs/dbraw/zinc/43/45/28/1078434528.db2.gz JUKYIZJVJIUFIV-LEWJYISDSA-N 2 2 415.582 0.890 20 0 HCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100873 1078434521 /nfs/dbraw/zinc/43/45/21/1078434521.db2.gz JUKYIZJVJIUFIV-LEWJYISDSA-N 2 2 415.582 0.890 20 0 HCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100876 1078434246 /nfs/dbraw/zinc/43/42/46/1078434246.db2.gz JUKYIZJVJIUFIV-NHCUHLMSSA-N 2 2 415.582 0.890 20 0 HCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100876 1078434242 /nfs/dbraw/zinc/43/42/42/1078434242.db2.gz JUKYIZJVJIUFIV-NHCUHLMSSA-N 2 2 415.582 0.890 20 0 HCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100878 1078434341 /nfs/dbraw/zinc/43/43/41/1078434341.db2.gz JUKYIZJVJIUFIV-RTWAWAEBSA-N 2 2 415.582 0.890 20 0 HCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100878 1078434338 /nfs/dbraw/zinc/43/43/38/1078434338.db2.gz JUKYIZJVJIUFIV-RTWAWAEBSA-N 2 2 415.582 0.890 20 0 HCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100879 1078434543 /nfs/dbraw/zinc/43/45/43/1078434543.db2.gz JUKYIZJVJIUFIV-SFTDATJTSA-N 2 2 415.582 0.890 20 0 HCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100879 1078434540 /nfs/dbraw/zinc/43/45/40/1078434540.db2.gz JUKYIZJVJIUFIV-SFTDATJTSA-N 2 2 415.582 0.890 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556110995 1078443507 /nfs/dbraw/zinc/44/35/07/1078443507.db2.gz VCTRGHDPLPETKC-UHFFFAOYSA-N 2 2 417.554 0.246 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556110995 1078443506 /nfs/dbraw/zinc/44/35/06/1078443506.db2.gz VCTRGHDPLPETKC-UHFFFAOYSA-N 2 2 417.554 0.246 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556116347 1078451698 /nfs/dbraw/zinc/45/16/98/1078451698.db2.gz SGCYCLWIGJAUGZ-UHFFFAOYSA-N 2 2 412.538 0.632 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556116347 1078451695 /nfs/dbraw/zinc/45/16/95/1078451695.db2.gz SGCYCLWIGJAUGZ-UHFFFAOYSA-N 2 2 412.538 0.632 20 0 HCADLP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000556116652 1078451299 /nfs/dbraw/zinc/45/12/99/1078451299.db2.gz XMKUOSDBCKRBTE-GOSISDBHSA-N 2 2 410.522 0.643 20 0 HCADLP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000556116653 1078451271 /nfs/dbraw/zinc/45/12/71/1078451271.db2.gz XMKUOSDBCKRBTE-SFHVURJKSA-N 2 2 410.522 0.643 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000556121887 1078453253 /nfs/dbraw/zinc/45/32/53/1078453253.db2.gz OFFZBGMKDMOJQN-FQEVSTJZSA-N 2 2 412.538 0.803 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000556121887 1078453248 /nfs/dbraw/zinc/45/32/48/1078453248.db2.gz OFFZBGMKDMOJQN-FQEVSTJZSA-N 2 2 412.538 0.803 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000556121887 1078453242 /nfs/dbraw/zinc/45/32/42/1078453242.db2.gz OFFZBGMKDMOJQN-FQEVSTJZSA-N 2 2 412.538 0.803 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000556121887 1078453232 /nfs/dbraw/zinc/45/32/32/1078453232.db2.gz OFFZBGMKDMOJQN-FQEVSTJZSA-N 2 2 412.538 0.803 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000556121888 1078453298 /nfs/dbraw/zinc/45/32/98/1078453298.db2.gz OFFZBGMKDMOJQN-HXUWFJFHSA-N 2 2 412.538 0.803 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000556121888 1078453293 /nfs/dbraw/zinc/45/32/93/1078453293.db2.gz OFFZBGMKDMOJQN-HXUWFJFHSA-N 2 2 412.538 0.803 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000556121888 1078453288 /nfs/dbraw/zinc/45/32/88/1078453288.db2.gz OFFZBGMKDMOJQN-HXUWFJFHSA-N 2 2 412.538 0.803 20 0 HCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000556121888 1078453282 /nfs/dbraw/zinc/45/32/82/1078453282.db2.gz OFFZBGMKDMOJQN-HXUWFJFHSA-N 2 2 412.538 0.803 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000556123209 1078448425 /nfs/dbraw/zinc/44/84/25/1078448425.db2.gz MDXNGFCNZKZQNW-FGTMMUONSA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000556123209 1078448424 /nfs/dbraw/zinc/44/84/24/1078448424.db2.gz MDXNGFCNZKZQNW-FGTMMUONSA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000556123209 1078448421 /nfs/dbraw/zinc/44/84/21/1078448421.db2.gz MDXNGFCNZKZQNW-FGTMMUONSA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000556123209 1078448419 /nfs/dbraw/zinc/44/84/19/1078448419.db2.gz MDXNGFCNZKZQNW-FGTMMUONSA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000556123210 1078448407 /nfs/dbraw/zinc/44/84/07/1078448407.db2.gz MDXNGFCNZKZQNW-KSZLIROESA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000556123210 1078448405 /nfs/dbraw/zinc/44/84/05/1078448405.db2.gz MDXNGFCNZKZQNW-KSZLIROESA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000556123210 1078448403 /nfs/dbraw/zinc/44/84/03/1078448403.db2.gz MDXNGFCNZKZQNW-KSZLIROESA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000556123210 1078448402 /nfs/dbraw/zinc/44/84/02/1078448402.db2.gz MDXNGFCNZKZQNW-KSZLIROESA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000556123211 1078448374 /nfs/dbraw/zinc/44/83/74/1078448374.db2.gz MDXNGFCNZKZQNW-KURKYZTESA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000556123211 1078448372 /nfs/dbraw/zinc/44/83/72/1078448372.db2.gz MDXNGFCNZKZQNW-KURKYZTESA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000556123212 1078448361 /nfs/dbraw/zinc/44/83/61/1078448361.db2.gz MDXNGFCNZKZQNW-KZNAEPCWSA-N 2 2 410.559 0.566 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000556123212 1078448360 /nfs/dbraw/zinc/44/83/60/1078448360.db2.gz MDXNGFCNZKZQNW-KZNAEPCWSA-N 2 2 410.559 0.566 20 0 HCADLP Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000556159441 1078468522 /nfs/dbraw/zinc/46/85/22/1078468522.db2.gz NEOVIGQPVFPJKA-IAGOWNOFSA-N 2 2 405.547 0.858 20 0 HCADLP Cc1nc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000556159441 1078468516 /nfs/dbraw/zinc/46/85/16/1078468516.db2.gz NEOVIGQPVFPJKA-IAGOWNOFSA-N 2 2 405.547 0.858 20 0 HCADLP Cc1nc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000556159443 1078468635 /nfs/dbraw/zinc/46/86/35/1078468635.db2.gz NEOVIGQPVFPJKA-SJORKVTESA-N 2 2 405.547 0.858 20 0 HCADLP Cc1nc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000556159443 1078468632 /nfs/dbraw/zinc/46/86/32/1078468632.db2.gz NEOVIGQPVFPJKA-SJORKVTESA-N 2 2 405.547 0.858 20 0 HCADLP Cc1cc(N2CCC(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)nc(C)[nH+]1 ZINC000556166430 1078470092 /nfs/dbraw/zinc/47/00/92/1078470092.db2.gz AQVCBQWUHJEJFK-UHFFFAOYSA-N 2 2 418.542 0.407 20 0 HCADLP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000556167710 1078471530 /nfs/dbraw/zinc/47/15/30/1078471530.db2.gz RNBRURZLBOGJMW-UHFFFAOYSA-N 2 2 415.582 0.517 20 0 HCADLP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556167753 1078471208 /nfs/dbraw/zinc/47/12/08/1078471208.db2.gz SVUCOZQTUUBNKF-NRFANRHFSA-N 2 2 415.582 0.911 20 0 HCADLP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556167753 1078471204 /nfs/dbraw/zinc/47/12/04/1078471204.db2.gz SVUCOZQTUUBNKF-NRFANRHFSA-N 2 2 415.582 0.911 20 0 HCADLP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556167754 1078471150 /nfs/dbraw/zinc/47/11/50/1078471150.db2.gz SVUCOZQTUUBNKF-OAQYLSRUSA-N 2 2 415.582 0.911 20 0 HCADLP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556167754 1078471148 /nfs/dbraw/zinc/47/11/48/1078471148.db2.gz SVUCOZQTUUBNKF-OAQYLSRUSA-N 2 2 415.582 0.911 20 0 HCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000556168474 1078472612 /nfs/dbraw/zinc/47/26/12/1078472612.db2.gz PWDMVIOFLXERCQ-IBGZPJMESA-N 2 2 418.586 0.970 20 0 HCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000556168474 1078472607 /nfs/dbraw/zinc/47/26/07/1078472607.db2.gz PWDMVIOFLXERCQ-IBGZPJMESA-N 2 2 418.586 0.970 20 0 HCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000556168475 1078472368 /nfs/dbraw/zinc/47/23/68/1078472368.db2.gz PWDMVIOFLXERCQ-LJQANCHMSA-N 2 2 418.586 0.970 20 0 HCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000556168475 1078472358 /nfs/dbraw/zinc/47/23/58/1078472358.db2.gz PWDMVIOFLXERCQ-LJQANCHMSA-N 2 2 418.586 0.970 20 0 HCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC000556170490 1078477914 /nfs/dbraw/zinc/47/79/14/1078477914.db2.gz LKTCQOJKPDDOFM-AQNXPRMDSA-N 2 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000556170491 1078478211 /nfs/dbraw/zinc/47/82/11/1078478211.db2.gz LKTCQOJKPDDOFM-HSALFYBXSA-N 2 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000556170491 1078478207 /nfs/dbraw/zinc/47/82/07/1078478207.db2.gz LKTCQOJKPDDOFM-HSALFYBXSA-N 2 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC000556170492 1078478091 /nfs/dbraw/zinc/47/80/91/1078478091.db2.gz LKTCQOJKPDDOFM-VAMGGRTRSA-N 2 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000556170493 1078478695 /nfs/dbraw/zinc/47/86/95/1078478695.db2.gz LKTCQOJKPDDOFM-ZCNNSNEGSA-N 2 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000556170493 1078478686 /nfs/dbraw/zinc/47/86/86/1078478686.db2.gz LKTCQOJKPDDOFM-ZCNNSNEGSA-N 2 2 423.602 0.230 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000556172029 1078478633 /nfs/dbraw/zinc/47/86/33/1078478633.db2.gz SXAUJHYWQDCTIO-GOSISDBHSA-N 2 2 402.539 0.778 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000556172029 1078478608 /nfs/dbraw/zinc/47/86/08/1078478608.db2.gz SXAUJHYWQDCTIO-GOSISDBHSA-N 2 2 402.539 0.778 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000556172042 1078478860 /nfs/dbraw/zinc/47/88/60/1078478860.db2.gz SXAUJHYWQDCTIO-SFHVURJKSA-N 2 2 402.539 0.778 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000556172042 1078478853 /nfs/dbraw/zinc/47/88/53/1078478853.db2.gz SXAUJHYWQDCTIO-SFHVURJKSA-N 2 2 402.539 0.778 20 0 HCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c1C ZINC000556173760 1078481402 /nfs/dbraw/zinc/48/14/02/1078481402.db2.gz ZHGBSKXZODFLRJ-UHFFFAOYSA-N 2 2 405.543 0.809 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000556176016 1078483224 /nfs/dbraw/zinc/48/32/24/1078483224.db2.gz RSOJDYSQOORSEK-MSOLQXFVSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000556176016 1078483220 /nfs/dbraw/zinc/48/32/20/1078483220.db2.gz RSOJDYSQOORSEK-MSOLQXFVSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000556176016 1078483216 /nfs/dbraw/zinc/48/32/16/1078483216.db2.gz RSOJDYSQOORSEK-MSOLQXFVSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000556176016 1078483208 /nfs/dbraw/zinc/48/32/08/1078483208.db2.gz RSOJDYSQOORSEK-MSOLQXFVSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000556176017 1078484177 /nfs/dbraw/zinc/48/41/77/1078484177.db2.gz RSOJDYSQOORSEK-QZTJIDSGSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000556176017 1078484174 /nfs/dbraw/zinc/48/41/74/1078484174.db2.gz RSOJDYSQOORSEK-QZTJIDSGSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000556176017 1078484165 /nfs/dbraw/zinc/48/41/65/1078484165.db2.gz RSOJDYSQOORSEK-QZTJIDSGSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000556176017 1078484161 /nfs/dbraw/zinc/48/41/61/1078484161.db2.gz RSOJDYSQOORSEK-QZTJIDSGSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000556176018 1078483901 /nfs/dbraw/zinc/48/39/01/1078483901.db2.gz RSOJDYSQOORSEK-ROUUACIJSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000556176018 1078483888 /nfs/dbraw/zinc/48/38/88/1078483888.db2.gz RSOJDYSQOORSEK-ROUUACIJSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000556176018 1078483867 /nfs/dbraw/zinc/48/38/67/1078483867.db2.gz RSOJDYSQOORSEK-ROUUACIJSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000556176018 1078483855 /nfs/dbraw/zinc/48/38/55/1078483855.db2.gz RSOJDYSQOORSEK-ROUUACIJSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000556176019 1078484137 /nfs/dbraw/zinc/48/41/37/1078484137.db2.gz RSOJDYSQOORSEK-ZWKOTPCHSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000556176019 1078484134 /nfs/dbraw/zinc/48/41/34/1078484134.db2.gz RSOJDYSQOORSEK-ZWKOTPCHSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000556176019 1078484129 /nfs/dbraw/zinc/48/41/29/1078484129.db2.gz RSOJDYSQOORSEK-ZWKOTPCHSA-N 2 2 410.559 0.711 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000556176019 1078484120 /nfs/dbraw/zinc/48/41/20/1078484120.db2.gz RSOJDYSQOORSEK-ZWKOTPCHSA-N 2 2 410.559 0.711 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000556185166 1078487906 /nfs/dbraw/zinc/48/79/06/1078487906.db2.gz AOWYVAKYUJZLCO-KRWDZBQOSA-N 2 2 419.526 0.249 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000556185170 1078487958 /nfs/dbraw/zinc/48/79/58/1078487958.db2.gz AOWYVAKYUJZLCO-QGZVFWFLSA-N 2 2 419.526 0.249 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000556194195 1078509034 /nfs/dbraw/zinc/50/90/34/1078509034.db2.gz PQNMQYZMEVNOQC-FQEVSTJZSA-N 2 2 413.566 0.869 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000556194196 1078509122 /nfs/dbraw/zinc/50/91/22/1078509122.db2.gz PQNMQYZMEVNOQC-HXUWFJFHSA-N 2 2 413.566 0.869 20 0 HCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556194281 1078509206 /nfs/dbraw/zinc/50/92/06/1078509206.db2.gz QMGKWBOUZHLABG-UHFFFAOYSA-N 2 2 403.571 0.971 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000556195727 1078509968 /nfs/dbraw/zinc/50/99/68/1078509968.db2.gz HLSDDPRGIKVDBV-AEFFLSMTSA-N 2 2 417.529 0.805 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000556195727 1078509956 /nfs/dbraw/zinc/50/99/56/1078509956.db2.gz HLSDDPRGIKVDBV-AEFFLSMTSA-N 2 2 417.529 0.805 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000556195728 1078509883 /nfs/dbraw/zinc/50/98/83/1078509883.db2.gz HLSDDPRGIKVDBV-FUHWJXTLSA-N 2 2 417.529 0.805 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000556195728 1078509874 /nfs/dbraw/zinc/50/98/74/1078509874.db2.gz HLSDDPRGIKVDBV-FUHWJXTLSA-N 2 2 417.529 0.805 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000556195729 1078510024 /nfs/dbraw/zinc/51/00/24/1078510024.db2.gz HLSDDPRGIKVDBV-SJLPKXTDSA-N 2 2 417.529 0.805 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000556195729 1078510020 /nfs/dbraw/zinc/51/00/20/1078510020.db2.gz HLSDDPRGIKVDBV-SJLPKXTDSA-N 2 2 417.529 0.805 20 0 HCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000556195730 1078510080 /nfs/dbraw/zinc/51/00/80/1078510080.db2.gz HLSDDPRGIKVDBV-WMZOPIPTSA-N 2 2 417.529 0.805 20 0 HCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000556195730 1078510072 /nfs/dbraw/zinc/51/00/72/1078510072.db2.gz HLSDDPRGIKVDBV-WMZOPIPTSA-N 2 2 417.529 0.805 20 0 HCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556196473 1078513684 /nfs/dbraw/zinc/51/36/84/1078513684.db2.gz ZBXNBDOSPWUJLB-UHFFFAOYSA-N 2 2 401.555 0.725 20 0 HCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000556196751 1078512703 /nfs/dbraw/zinc/51/27/03/1078512703.db2.gz CZENOOFWDARVDQ-UHFFFAOYSA-N 2 2 419.545 0.864 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000556197067 1078511325 /nfs/dbraw/zinc/51/13/25/1078511325.db2.gz JHRDRHUWIKGYQA-KRWDZBQOSA-N 2 2 403.502 0.417 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556197067 1078511314 /nfs/dbraw/zinc/51/13/14/1078511314.db2.gz JHRDRHUWIKGYQA-KRWDZBQOSA-N 2 2 403.502 0.417 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556197068 1078510511 /nfs/dbraw/zinc/51/05/11/1078510511.db2.gz JHRDRHUWIKGYQA-QGZVFWFLSA-N 2 2 403.502 0.417 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556197068 1078510497 /nfs/dbraw/zinc/51/04/97/1078510497.db2.gz JHRDRHUWIKGYQA-QGZVFWFLSA-N 2 2 403.502 0.417 20 0 HCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556197196 1078514071 /nfs/dbraw/zinc/51/40/71/1078514071.db2.gz KGCZRUDLSRCHJI-UHFFFAOYSA-N 2 2 417.554 0.152 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[N@@H+](C)C1CC1 ZINC000556197267 1078515841 /nfs/dbraw/zinc/51/58/41/1078515841.db2.gz MXBYHVBOKHFDAZ-INIZCTEOSA-N 2 2 405.518 0.663 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[N@H+](C)C1CC1 ZINC000556197267 1078515826 /nfs/dbraw/zinc/51/58/26/1078515826.db2.gz MXBYHVBOKHFDAZ-INIZCTEOSA-N 2 2 405.518 0.663 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[N@@H+](C)C1CC1 ZINC000556197268 1078516078 /nfs/dbraw/zinc/51/60/78/1078516078.db2.gz MXBYHVBOKHFDAZ-MRXNPFEDSA-N 2 2 405.518 0.663 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[N@H+](C)C1CC1 ZINC000556197268 1078516067 /nfs/dbraw/zinc/51/60/67/1078516067.db2.gz MXBYHVBOKHFDAZ-MRXNPFEDSA-N 2 2 405.518 0.663 20 0 HCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556197373 1078515939 /nfs/dbraw/zinc/51/59/39/1078515939.db2.gz NCWLNHJJRZCUGV-UHFFFAOYSA-N 2 2 401.555 0.868 20 0 HCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556197373 1078515926 /nfs/dbraw/zinc/51/59/26/1078515926.db2.gz NCWLNHJJRZCUGV-UHFFFAOYSA-N 2 2 401.555 0.868 20 0 HCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000556197644 1078515234 /nfs/dbraw/zinc/51/52/34/1078515234.db2.gz RHJYTIFJYJKWAM-MOPGFXCFSA-N 2 2 401.555 0.866 20 0 HCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000556197644 1078515224 /nfs/dbraw/zinc/51/52/24/1078515224.db2.gz RHJYTIFJYJKWAM-MOPGFXCFSA-N 2 2 401.555 0.866 20 0 HCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000556197646 1078514867 /nfs/dbraw/zinc/51/48/67/1078514867.db2.gz RHJYTIFJYJKWAM-OALUTQOASA-N 2 2 401.555 0.866 20 0 HCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000556197646 1078514855 /nfs/dbraw/zinc/51/48/55/1078514855.db2.gz RHJYTIFJYJKWAM-OALUTQOASA-N 2 2 401.555 0.866 20 0 HCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000556197648 1078516242 /nfs/dbraw/zinc/51/62/42/1078516242.db2.gz RHJYTIFJYJKWAM-RBUKOAKNSA-N 2 2 401.555 0.866 20 0 HCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000556197648 1078516226 /nfs/dbraw/zinc/51/62/26/1078516226.db2.gz RHJYTIFJYJKWAM-RBUKOAKNSA-N 2 2 401.555 0.866 20 0 HCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000556197650 1078515718 /nfs/dbraw/zinc/51/57/18/1078515718.db2.gz RHJYTIFJYJKWAM-RTBURBONSA-N 2 2 401.555 0.866 20 0 HCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000556197650 1078515698 /nfs/dbraw/zinc/51/56/98/1078515698.db2.gz RHJYTIFJYJKWAM-RTBURBONSA-N 2 2 401.555 0.866 20 0 HCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556198293 1078503211 /nfs/dbraw/zinc/50/32/11/1078503211.db2.gz WXLSKGBJXRDKOF-UHFFFAOYSA-N 2 2 405.518 0.618 20 0 HCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556199222 1078504041 /nfs/dbraw/zinc/50/40/41/1078504041.db2.gz DWJSURXGRPTUBG-KRWDZBQOSA-N 2 2 407.534 0.910 20 0 HCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556199222 1078504028 /nfs/dbraw/zinc/50/40/28/1078504028.db2.gz DWJSURXGRPTUBG-KRWDZBQOSA-N 2 2 407.534 0.910 20 0 HCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556199223 1078504173 /nfs/dbraw/zinc/50/41/73/1078504173.db2.gz DWJSURXGRPTUBG-QGZVFWFLSA-N 2 2 407.534 0.910 20 0 HCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556199223 1078504161 /nfs/dbraw/zinc/50/41/61/1078504161.db2.gz DWJSURXGRPTUBG-QGZVFWFLSA-N 2 2 407.534 0.910 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556199718 1078521732 /nfs/dbraw/zinc/52/17/32/1078521732.db2.gz TZBGQDREORYMFG-KRWDZBQOSA-N 2 2 417.529 0.664 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556199718 1078521705 /nfs/dbraw/zinc/52/17/05/1078521705.db2.gz TZBGQDREORYMFG-KRWDZBQOSA-N 2 2 417.529 0.664 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000556199719 1078521867 /nfs/dbraw/zinc/52/18/67/1078521867.db2.gz TZBGQDREORYMFG-QGZVFWFLSA-N 2 2 417.529 0.664 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556199719 1078521851 /nfs/dbraw/zinc/52/18/51/1078521851.db2.gz TZBGQDREORYMFG-QGZVFWFLSA-N 2 2 417.529 0.664 20 0 HCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCSC1 ZINC000556208693 1078532817 /nfs/dbraw/zinc/53/28/17/1078532817.db2.gz VFZSNRTXBFUOJS-NRFANRHFSA-N 2 2 404.580 0.927 20 0 HCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCSC1 ZINC000556208696 1078533415 /nfs/dbraw/zinc/53/34/15/1078533415.db2.gz VFZSNRTXBFUOJS-OAQYLSRUSA-N 2 2 404.580 0.927 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000556208762 1078532607 /nfs/dbraw/zinc/53/26/07/1078532607.db2.gz WZNQGDLFJLTXNE-UHFFFAOYSA-N 2 2 400.523 0.913 20 0 HCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000556242675 1078551877 /nfs/dbraw/zinc/55/18/77/1078551877.db2.gz RTYVTKPDKOZXML-KRWDZBQOSA-N 2 2 403.527 0.784 20 0 HCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000556242675 1078551869 /nfs/dbraw/zinc/55/18/69/1078551869.db2.gz RTYVTKPDKOZXML-KRWDZBQOSA-N 2 2 403.527 0.784 20 0 HCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000556242679 1078551741 /nfs/dbraw/zinc/55/17/41/1078551741.db2.gz RTYVTKPDKOZXML-QGZVFWFLSA-N 2 2 403.527 0.784 20 0 HCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000556242679 1078551736 /nfs/dbraw/zinc/55/17/36/1078551736.db2.gz RTYVTKPDKOZXML-QGZVFWFLSA-N 2 2 403.527 0.784 20 0 HCADLP COCCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000556242792 1078551997 /nfs/dbraw/zinc/55/19/97/1078551997.db2.gz URAKCYNMPAONTO-UHFFFAOYSA-N 2 2 403.527 0.784 20 0 HCADLP C[N@H+]1CCN(CCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC000556244575 1078553451 /nfs/dbraw/zinc/55/34/51/1078553451.db2.gz DNCFNYFCIMFFRK-UHFFFAOYSA-N 2 2 402.543 0.309 20 0 HCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC000556244575 1078553440 /nfs/dbraw/zinc/55/34/40/1078553440.db2.gz DNCFNYFCIMFFRK-UHFFFAOYSA-N 2 2 402.543 0.309 20 0 HCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000556244762 1078553423 /nfs/dbraw/zinc/55/34/23/1078553423.db2.gz ARZHXZABRFPYQX-CALCHBBNSA-N 2 2 403.527 0.782 20 0 HCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000556244762 1078553414 /nfs/dbraw/zinc/55/34/14/1078553414.db2.gz ARZHXZABRFPYQX-CALCHBBNSA-N 2 2 403.527 0.782 20 0 HCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000556244763 1078553614 /nfs/dbraw/zinc/55/36/14/1078553614.db2.gz ARZHXZABRFPYQX-IAGOWNOFSA-N 2 2 403.527 0.782 20 0 HCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000556244764 1078553547 /nfs/dbraw/zinc/55/35/47/1078553547.db2.gz ARZHXZABRFPYQX-IRXDYDNUSA-N 2 2 403.527 0.782 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000556250010 1078557008 /nfs/dbraw/zinc/55/70/08/1078557008.db2.gz UGMDVZCDJRUFIX-INIZCTEOSA-N 2 2 404.511 0.460 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000556250010 1078557007 /nfs/dbraw/zinc/55/70/07/1078557007.db2.gz UGMDVZCDJRUFIX-INIZCTEOSA-N 2 2 404.511 0.460 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000556250013 1078556966 /nfs/dbraw/zinc/55/69/66/1078556966.db2.gz UGMDVZCDJRUFIX-MRXNPFEDSA-N 2 2 404.511 0.460 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000556250013 1078556963 /nfs/dbraw/zinc/55/69/63/1078556963.db2.gz UGMDVZCDJRUFIX-MRXNPFEDSA-N 2 2 404.511 0.460 20 0 HCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)C2)CC1 ZINC000556251765 1078557882 /nfs/dbraw/zinc/55/78/82/1078557882.db2.gz BBUNCWVDLXHTSG-IBGZPJMESA-N 2 2 414.554 0.405 20 0 HCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)C2)CC1 ZINC000556251766 1078557931 /nfs/dbraw/zinc/55/79/31/1078557931.db2.gz BBUNCWVDLXHTSG-LJQANCHMSA-N 2 2 414.554 0.405 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000556251888 1078557833 /nfs/dbraw/zinc/55/78/33/1078557833.db2.gz CXIUCDZUWGRTKJ-UHFFFAOYSA-N 2 2 404.515 0.059 20 0 HCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556252715 1078565380 /nfs/dbraw/zinc/56/53/80/1078565380.db2.gz JEOWXLWBMIUPOD-KRWDZBQOSA-N 2 2 415.538 0.878 20 0 HCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556252715 1078565369 /nfs/dbraw/zinc/56/53/69/1078565369.db2.gz JEOWXLWBMIUPOD-KRWDZBQOSA-N 2 2 415.538 0.878 20 0 HCADLP CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000556260757 1078563760 /nfs/dbraw/zinc/56/37/60/1078563760.db2.gz JHDJRUDRAJWTMT-DLBZAZTESA-N 2 2 409.556 0.695 20 0 HCADLP CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000556260758 1078563858 /nfs/dbraw/zinc/56/38/58/1078563858.db2.gz JHDJRUDRAJWTMT-IAGOWNOFSA-N 2 2 409.556 0.695 20 0 HCADLP CS(=O)(=O)C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000556261140 1078563277 /nfs/dbraw/zinc/56/32/77/1078563277.db2.gz JHDJRUDRAJWTMT-IRXDYDNUSA-N 2 2 409.556 0.695 20 0 HCADLP CS(=O)(=O)C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000556261145 1078563332 /nfs/dbraw/zinc/56/33/32/1078563332.db2.gz JHDJRUDRAJWTMT-SJORKVTESA-N 2 2 409.556 0.695 20 0 HCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000556265930 1078567094 /nfs/dbraw/zinc/56/70/94/1078567094.db2.gz HJIDZUSRPJGGPP-UHFFFAOYSA-N 2 2 408.518 0.945 20 0 HCADLP COCC[NH+](C)CCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000556265930 1078567087 /nfs/dbraw/zinc/56/70/87/1078567087.db2.gz HJIDZUSRPJGGPP-UHFFFAOYSA-N 2 2 408.518 0.945 20 0 HCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000556265930 1078567082 /nfs/dbraw/zinc/56/70/82/1078567082.db2.gz HJIDZUSRPJGGPP-UHFFFAOYSA-N 2 2 408.518 0.945 20 0 HCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000556265930 1078567075 /nfs/dbraw/zinc/56/70/75/1078567075.db2.gz HJIDZUSRPJGGPP-UHFFFAOYSA-N 2 2 408.518 0.945 20 0 HCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556271914 1078572459 /nfs/dbraw/zinc/57/24/59/1078572459.db2.gz BKBKLWGKIVKFGM-INIZCTEOSA-N 2 2 403.527 0.590 20 0 HCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556271914 1078572453 /nfs/dbraw/zinc/57/24/53/1078572453.db2.gz BKBKLWGKIVKFGM-INIZCTEOSA-N 2 2 403.527 0.590 20 0 HCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000556271974 1078572372 /nfs/dbraw/zinc/57/23/72/1078572372.db2.gz BTTTWJSMQHMHLR-GOSISDBHSA-N 2 2 405.543 0.837 20 0 HCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000556271983 1078572423 /nfs/dbraw/zinc/57/24/23/1078572423.db2.gz BTTTWJSMQHMHLR-SFHVURJKSA-N 2 2 405.543 0.837 20 0 HCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000556272293 1078573399 /nfs/dbraw/zinc/57/33/99/1078573399.db2.gz BJOLEWWJYBLWEA-UHFFFAOYSA-N 2 2 403.527 0.449 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)ccn1 ZINC000556274084 1078565462 /nfs/dbraw/zinc/56/54/62/1078565462.db2.gz UMBJUGWWAPHEPI-UHFFFAOYSA-N 2 2 414.510 0.530 20 0 HCADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556281591 1078574621 /nfs/dbraw/zinc/57/46/21/1078574621.db2.gz OPFXIVKMJMINMM-IBGZPJMESA-N 2 2 416.570 0.507 20 0 HCADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556281591 1078574617 /nfs/dbraw/zinc/57/46/17/1078574617.db2.gz OPFXIVKMJMINMM-IBGZPJMESA-N 2 2 416.570 0.507 20 0 HCADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556281593 1078574529 /nfs/dbraw/zinc/57/45/29/1078574529.db2.gz OPFXIVKMJMINMM-LJQANCHMSA-N 2 2 416.570 0.507 20 0 HCADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556281593 1078574522 /nfs/dbraw/zinc/57/45/22/1078574522.db2.gz OPFXIVKMJMINMM-LJQANCHMSA-N 2 2 416.570 0.507 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000556298620 1078591322 /nfs/dbraw/zinc/59/13/22/1078591322.db2.gz QDIDWJYOBRHOGK-NRFANRHFSA-N 2 2 415.582 0.863 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000556298620 1078591314 /nfs/dbraw/zinc/59/13/14/1078591314.db2.gz QDIDWJYOBRHOGK-NRFANRHFSA-N 2 2 415.582 0.863 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000556298620 1078591306 /nfs/dbraw/zinc/59/13/06/1078591306.db2.gz QDIDWJYOBRHOGK-NRFANRHFSA-N 2 2 415.582 0.863 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000556298620 1078591300 /nfs/dbraw/zinc/59/13/00/1078591300.db2.gz QDIDWJYOBRHOGK-NRFANRHFSA-N 2 2 415.582 0.863 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000556298621 1078591172 /nfs/dbraw/zinc/59/11/72/1078591172.db2.gz QDIDWJYOBRHOGK-OAQYLSRUSA-N 2 2 415.582 0.863 20 0 HCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000556298621 1078591168 /nfs/dbraw/zinc/59/11/68/1078591168.db2.gz QDIDWJYOBRHOGK-OAQYLSRUSA-N 2 2 415.582 0.863 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000556298621 1078591166 /nfs/dbraw/zinc/59/11/66/1078591166.db2.gz QDIDWJYOBRHOGK-OAQYLSRUSA-N 2 2 415.582 0.863 20 0 HCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000556298621 1078591163 /nfs/dbraw/zinc/59/11/63/1078591163.db2.gz QDIDWJYOBRHOGK-OAQYLSRUSA-N 2 2 415.582 0.863 20 0 HCADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556299918 1078592452 /nfs/dbraw/zinc/59/24/52/1078592452.db2.gz XUYPZDHHNDWRTH-LEWJYISDSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556299918 1078592441 /nfs/dbraw/zinc/59/24/41/1078592441.db2.gz XUYPZDHHNDWRTH-LEWJYISDSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556299928 1078592530 /nfs/dbraw/zinc/59/25/30/1078592530.db2.gz XUYPZDHHNDWRTH-NHCUHLMSSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556299928 1078592508 /nfs/dbraw/zinc/59/25/08/1078592508.db2.gz XUYPZDHHNDWRTH-NHCUHLMSSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556299929 1078592343 /nfs/dbraw/zinc/59/23/43/1078592343.db2.gz XUYPZDHHNDWRTH-RTWAWAEBSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556299929 1078592333 /nfs/dbraw/zinc/59/23/33/1078592333.db2.gz XUYPZDHHNDWRTH-RTWAWAEBSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556299932 1078592691 /nfs/dbraw/zinc/59/26/91/1078592691.db2.gz XUYPZDHHNDWRTH-SFTDATJTSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556299932 1078592681 /nfs/dbraw/zinc/59/26/81/1078592681.db2.gz XUYPZDHHNDWRTH-SFTDATJTSA-N 2 2 414.550 0.948 20 0 HCADLP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000556305644 1078603873 /nfs/dbraw/zinc/60/38/73/1078603873.db2.gz VCVQVTSDBAHJJU-UHFFFAOYSA-N 2 2 417.535 0.754 20 0 HCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000556306503 1078605108 /nfs/dbraw/zinc/60/51/08/1078605108.db2.gz KSBWMDTWOYACPM-UHFFFAOYSA-N 2 2 400.614 0.629 20 0 HCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000556310047 1078597644 /nfs/dbraw/zinc/59/76/44/1078597644.db2.gz OVDPJHOAGYKEJZ-IBGZPJMESA-N 2 2 412.538 0.664 20 0 HCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000556310047 1078597631 /nfs/dbraw/zinc/59/76/31/1078597631.db2.gz OVDPJHOAGYKEJZ-IBGZPJMESA-N 2 2 412.538 0.664 20 0 HCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000556310049 1078597836 /nfs/dbraw/zinc/59/78/36/1078597836.db2.gz OVDPJHOAGYKEJZ-LJQANCHMSA-N 2 2 412.538 0.664 20 0 HCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000556310049 1078597828 /nfs/dbraw/zinc/59/78/28/1078597828.db2.gz OVDPJHOAGYKEJZ-LJQANCHMSA-N 2 2 412.538 0.664 20 0 HCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556311619 1078600214 /nfs/dbraw/zinc/60/02/14/1078600214.db2.gz HIBSNIXMYNDVBA-HNNXBMFYSA-N 2 2 406.531 0.131 20 0 HCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556311627 1078603837 /nfs/dbraw/zinc/60/38/37/1078603837.db2.gz HIBSNIXMYNDVBA-OAHLLOKOSA-N 2 2 406.531 0.131 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000556347417 1078640090 /nfs/dbraw/zinc/64/00/90/1078640090.db2.gz IKUKOBPZSWJHMW-CTNGQTDRSA-N 2 2 415.582 0.767 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000556347417 1078640082 /nfs/dbraw/zinc/64/00/82/1078640082.db2.gz IKUKOBPZSWJHMW-CTNGQTDRSA-N 2 2 415.582 0.767 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000556347424 1078640208 /nfs/dbraw/zinc/64/02/08/1078640208.db2.gz IKUKOBPZSWJHMW-FPOVZHCZSA-N 2 2 415.582 0.767 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000556347424 1078640203 /nfs/dbraw/zinc/64/02/03/1078640203.db2.gz IKUKOBPZSWJHMW-FPOVZHCZSA-N 2 2 415.582 0.767 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000556347425 1078640120 /nfs/dbraw/zinc/64/01/20/1078640120.db2.gz IKUKOBPZSWJHMW-PZJWPPBQSA-N 2 2 415.582 0.767 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000556347425 1078640115 /nfs/dbraw/zinc/64/01/15/1078640115.db2.gz IKUKOBPZSWJHMW-PZJWPPBQSA-N 2 2 415.582 0.767 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000556347426 1078640173 /nfs/dbraw/zinc/64/01/73/1078640173.db2.gz IKUKOBPZSWJHMW-TZIWHRDSSA-N 2 2 415.582 0.767 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000556347426 1078640164 /nfs/dbraw/zinc/64/01/64/1078640164.db2.gz IKUKOBPZSWJHMW-TZIWHRDSSA-N 2 2 415.582 0.767 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000556354122 1078651477 /nfs/dbraw/zinc/65/14/77/1078651477.db2.gz HJGLYVJBNZPCBK-AZUAARDMSA-N 2 2 403.571 0.714 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000556354128 1078651460 /nfs/dbraw/zinc/65/14/60/1078651460.db2.gz HJGLYVJBNZPCBK-ICSRJNTNSA-N 2 2 403.571 0.714 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000556354129 1078651359 /nfs/dbraw/zinc/65/13/59/1078651359.db2.gz HJGLYVJBNZPCBK-QUCCMNQESA-N 2 2 403.571 0.714 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000556354130 1078651364 /nfs/dbraw/zinc/65/13/64/1078651364.db2.gz HJGLYVJBNZPCBK-UYAOXDASSA-N 2 2 403.571 0.714 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@H+]1CCc2sccc2C1 ZINC000556356029 1078643872 /nfs/dbraw/zinc/64/38/72/1078643872.db2.gz WLYDBHDYAXQRTH-DLBZAZTESA-N 2 2 421.611 0.611 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000556356029 1078643863 /nfs/dbraw/zinc/64/38/63/1078643863.db2.gz WLYDBHDYAXQRTH-DLBZAZTESA-N 2 2 421.611 0.611 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356030 1078643835 /nfs/dbraw/zinc/64/38/35/1078643835.db2.gz WLYDBHDYAXQRTH-IAGOWNOFSA-N 2 2 421.611 0.611 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356030 1078643828 /nfs/dbraw/zinc/64/38/28/1078643828.db2.gz WLYDBHDYAXQRTH-IAGOWNOFSA-N 2 2 421.611 0.611 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356031 1078643535 /nfs/dbraw/zinc/64/35/35/1078643535.db2.gz WLYDBHDYAXQRTH-IRXDYDNUSA-N 2 2 421.611 0.611 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356031 1078643527 /nfs/dbraw/zinc/64/35/27/1078643527.db2.gz WLYDBHDYAXQRTH-IRXDYDNUSA-N 2 2 421.611 0.611 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356032 1078643659 /nfs/dbraw/zinc/64/36/59/1078643659.db2.gz WLYDBHDYAXQRTH-SJORKVTESA-N 2 2 421.611 0.611 20 0 HCADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)C[NH+]1CCN(C)CC1 ZINC000556356032 1078643649 /nfs/dbraw/zinc/64/36/49/1078643649.db2.gz WLYDBHDYAXQRTH-SJORKVTESA-N 2 2 421.611 0.611 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556356459 1078645062 /nfs/dbraw/zinc/64/50/62/1078645062.db2.gz YLRLOMSADQRVNU-DYXWJJEUSA-N 2 2 415.582 0.938 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556356459 1078645060 /nfs/dbraw/zinc/64/50/60/1078645060.db2.gz YLRLOMSADQRVNU-DYXWJJEUSA-N 2 2 415.582 0.938 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556356460 1078645103 /nfs/dbraw/zinc/64/51/03/1078645103.db2.gz YLRLOMSADQRVNU-SBHAEUEKSA-N 2 2 415.582 0.938 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556356460 1078645099 /nfs/dbraw/zinc/64/50/99/1078645099.db2.gz YLRLOMSADQRVNU-SBHAEUEKSA-N 2 2 415.582 0.938 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556356461 1078645053 /nfs/dbraw/zinc/64/50/53/1078645053.db2.gz YLRLOMSADQRVNU-SFHLNBCPSA-N 2 2 415.582 0.938 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556356461 1078645051 /nfs/dbraw/zinc/64/50/51/1078645051.db2.gz YLRLOMSADQRVNU-SFHLNBCPSA-N 2 2 415.582 0.938 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556356462 1078644987 /nfs/dbraw/zinc/64/49/87/1078644987.db2.gz YLRLOMSADQRVNU-SVFBPWRDSA-N 2 2 415.582 0.938 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556356462 1078644984 /nfs/dbraw/zinc/64/49/84/1078644984.db2.gz YLRLOMSADQRVNU-SVFBPWRDSA-N 2 2 415.582 0.938 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000556370434 1078671948 /nfs/dbraw/zinc/67/19/48/1078671948.db2.gz MENOISFTTVRFTL-IBGZPJMESA-N 2 2 423.602 0.137 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000556370437 1078671892 /nfs/dbraw/zinc/67/18/92/1078671892.db2.gz MENOISFTTVRFTL-LJQANCHMSA-N 2 2 423.602 0.137 20 0 HCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC000556371915 1078673423 /nfs/dbraw/zinc/67/34/23/1078673423.db2.gz WAYZUQIUYUMVSZ-KRWDZBQOSA-N 2 2 413.522 0.908 20 0 HCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC000556371918 1078673440 /nfs/dbraw/zinc/67/34/40/1078673440.db2.gz WAYZUQIUYUMVSZ-QGZVFWFLSA-N 2 2 413.522 0.908 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000556372829 1078676068 /nfs/dbraw/zinc/67/60/68/1078676068.db2.gz YWXSUBNXAMXWAL-KRWDZBQOSA-N 2 2 407.534 0.373 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000556372829 1078676065 /nfs/dbraw/zinc/67/60/65/1078676065.db2.gz YWXSUBNXAMXWAL-KRWDZBQOSA-N 2 2 407.534 0.373 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000556372830 1078676081 /nfs/dbraw/zinc/67/60/81/1078676081.db2.gz YWXSUBNXAMXWAL-QGZVFWFLSA-N 2 2 407.534 0.373 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000556372830 1078676078 /nfs/dbraw/zinc/67/60/78/1078676078.db2.gz YWXSUBNXAMXWAL-QGZVFWFLSA-N 2 2 407.534 0.373 20 0 HCADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[NH+]2CCC1CC2 ZINC000556418291 1078731777 /nfs/dbraw/zinc/73/17/77/1078731777.db2.gz PCMRGEXFNFQMLL-UHFFFAOYSA-N 2 2 422.555 0.023 20 0 HCADLP CN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556579758 1078847234 /nfs/dbraw/zinc/84/72/34/1078847234.db2.gz AQOPSDLZWNHAAQ-GUDVDZBRSA-N 2 2 410.559 0.314 20 0 HCADLP CN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556579758 1078847231 /nfs/dbraw/zinc/84/72/31/1078847231.db2.gz AQOPSDLZWNHAAQ-GUDVDZBRSA-N 2 2 410.559 0.314 20 0 HCADLP CN(C(=O)C(=O)NC[C@H]1COCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556579759 1078847327 /nfs/dbraw/zinc/84/73/27/1078847327.db2.gz AQOPSDLZWNHAAQ-IPMKNSEASA-N 2 2 410.559 0.314 20 0 HCADLP CN(C(=O)C(=O)NC[C@H]1COCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556579759 1078847323 /nfs/dbraw/zinc/84/73/23/1078847323.db2.gz AQOPSDLZWNHAAQ-IPMKNSEASA-N 2 2 410.559 0.314 20 0 HCADLP CN(C(=O)C(=O)NC[C@H]1COCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556579760 1078847220 /nfs/dbraw/zinc/84/72/20/1078847220.db2.gz AQOPSDLZWNHAAQ-OTWHNJEPSA-N 2 2 410.559 0.314 20 0 HCADLP CN(C(=O)C(=O)NC[C@H]1COCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556579760 1078847218 /nfs/dbraw/zinc/84/72/18/1078847218.db2.gz AQOPSDLZWNHAAQ-OTWHNJEPSA-N 2 2 410.559 0.314 20 0 HCADLP CN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556579761 1078847308 /nfs/dbraw/zinc/84/73/08/1078847308.db2.gz AQOPSDLZWNHAAQ-QRVBRYPASA-N 2 2 410.559 0.314 20 0 HCADLP CN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556579761 1078847305 /nfs/dbraw/zinc/84/73/05/1078847305.db2.gz AQOPSDLZWNHAAQ-QRVBRYPASA-N 2 2 410.559 0.314 20 0 HCADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000556588259 1078850036 /nfs/dbraw/zinc/85/00/36/1078850036.db2.gz BIWRLXDAOPAJTK-AZUAARDMSA-N 2 2 418.538 0.595 20 0 HCADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000556588261 1078850046 /nfs/dbraw/zinc/85/00/46/1078850046.db2.gz BIWRLXDAOPAJTK-ICSRJNTNSA-N 2 2 418.538 0.595 20 0 HCADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000556588263 1078850119 /nfs/dbraw/zinc/85/01/19/1078850119.db2.gz BIWRLXDAOPAJTK-QUCCMNQESA-N 2 2 418.538 0.595 20 0 HCADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000556588264 1078850097 /nfs/dbraw/zinc/85/00/97/1078850097.db2.gz BIWRLXDAOPAJTK-UYAOXDASSA-N 2 2 418.538 0.595 20 0 HCADLP O=C(CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)NCC[NH+]1CCCCCC1 ZINC000556594615 1078850522 /nfs/dbraw/zinc/85/05/22/1078850522.db2.gz DNMWKARBKRLHQP-UHFFFAOYSA-N 2 2 412.494 0.919 20 0 HCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556637678 1078881021 /nfs/dbraw/zinc/88/10/21/1078881021.db2.gz DEVKIJDQQNEAGF-NSHGMRRFSA-N 2 2 404.555 0.843 20 0 HCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556637678 1078881018 /nfs/dbraw/zinc/88/10/18/1078881018.db2.gz DEVKIJDQQNEAGF-NSHGMRRFSA-N 2 2 404.555 0.843 20 0 HCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556637683 1078881064 /nfs/dbraw/zinc/88/10/64/1078881064.db2.gz DEVKIJDQQNEAGF-WSTZPKSXSA-N 2 2 404.555 0.843 20 0 HCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556637683 1078881063 /nfs/dbraw/zinc/88/10/63/1078881063.db2.gz DEVKIJDQQNEAGF-WSTZPKSXSA-N 2 2 404.555 0.843 20 0 HCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556645800 1078889456 /nfs/dbraw/zinc/88/94/56/1078889456.db2.gz OMBYGNRQLKMESJ-KDURUIRLSA-N 2 2 404.559 0.797 20 0 HCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556645800 1078889455 /nfs/dbraw/zinc/88/94/55/1078889455.db2.gz OMBYGNRQLKMESJ-KDURUIRLSA-N 2 2 404.559 0.797 20 0 HCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556645801 1078889393 /nfs/dbraw/zinc/88/93/93/1078889393.db2.gz OMBYGNRQLKMESJ-OALUTQOASA-N 2 2 404.559 0.797 20 0 HCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556645802 1078889352 /nfs/dbraw/zinc/88/93/52/1078889352.db2.gz OMBYGNRQLKMESJ-RTBURBONSA-N 2 2 404.559 0.797 20 0 HCADLP CC[C@H]1C[NH+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000556685994 1078909717 /nfs/dbraw/zinc/90/97/17/1078909717.db2.gz WBKOFURZVGXWHB-KRWDZBQOSA-N 2 2 415.538 0.955 20 0 HCADLP CC[C@H]1C[NH+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000556685994 1078909713 /nfs/dbraw/zinc/90/97/13/1078909713.db2.gz WBKOFURZVGXWHB-KRWDZBQOSA-N 2 2 415.538 0.955 20 0 HCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000556685994 1078909706 /nfs/dbraw/zinc/90/97/06/1078909706.db2.gz WBKOFURZVGXWHB-KRWDZBQOSA-N 2 2 415.538 0.955 20 0 HCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000556685994 1078909697 /nfs/dbraw/zinc/90/96/97/1078909697.db2.gz WBKOFURZVGXWHB-KRWDZBQOSA-N 2 2 415.538 0.955 20 0 HCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000556685995 1078909914 /nfs/dbraw/zinc/90/99/14/1078909914.db2.gz WBKOFURZVGXWHB-QGZVFWFLSA-N 2 2 415.538 0.955 20 0 HCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000556685995 1078909910 /nfs/dbraw/zinc/90/99/10/1078909910.db2.gz WBKOFURZVGXWHB-QGZVFWFLSA-N 2 2 415.538 0.955 20 0 HCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000556685995 1078909904 /nfs/dbraw/zinc/90/99/04/1078909904.db2.gz WBKOFURZVGXWHB-QGZVFWFLSA-N 2 2 415.538 0.955 20 0 HCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000556685995 1078909899 /nfs/dbraw/zinc/90/98/99/1078909899.db2.gz WBKOFURZVGXWHB-QGZVFWFLSA-N 2 2 415.538 0.955 20 0 HCADLP OCCNc1nc(NCCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]c2ccccc21 ZINC000556825363 1078984303 /nfs/dbraw/zinc/98/43/03/1078984303.db2.gz VTRUPMXUQRJRSL-UHFFFAOYSA-N 2 2 422.537 0.682 20 0 HCADLP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000556854959 1079009265 /nfs/dbraw/zinc/00/92/65/1079009265.db2.gz ZKCHFNKRILYTKJ-DBXWQHBBSA-N 2 2 404.555 0.634 20 0 HCADLP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000556854960 1079009096 /nfs/dbraw/zinc/00/90/96/1079009096.db2.gz ZKCHFNKRILYTKJ-LVCYWYKZSA-N 2 2 404.555 0.634 20 0 HCADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000556854961 1079009248 /nfs/dbraw/zinc/00/92/48/1079009248.db2.gz ZKCHFNKRILYTKJ-OPYAIIAOSA-N 2 2 404.555 0.634 20 0 HCADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000556854962 1079009307 /nfs/dbraw/zinc/00/93/07/1079009307.db2.gz ZKCHFNKRILYTKJ-UEXGIBASSA-N 2 2 404.555 0.634 20 0 HCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557000641 1079076595 /nfs/dbraw/zinc/07/65/95/1079076595.db2.gz HJYWJTJDAVQFDZ-GOSISDBHSA-N 2 2 416.522 0.367 20 0 HCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557000641 1079076590 /nfs/dbraw/zinc/07/65/90/1079076590.db2.gz HJYWJTJDAVQFDZ-GOSISDBHSA-N 2 2 416.522 0.367 20 0 HCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557000643 1079076389 /nfs/dbraw/zinc/07/63/89/1079076389.db2.gz HJYWJTJDAVQFDZ-SFHVURJKSA-N 2 2 416.522 0.367 20 0 HCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557000643 1079076383 /nfs/dbraw/zinc/07/63/83/1079076383.db2.gz HJYWJTJDAVQFDZ-SFHVURJKSA-N 2 2 416.522 0.367 20 0 HCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000557000795 1079076433 /nfs/dbraw/zinc/07/64/33/1079076433.db2.gz UBSNDLIAQCGAAE-AWEZNQCLSA-N 2 2 406.449 0.453 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000557000795 1079076429 /nfs/dbraw/zinc/07/64/29/1079076429.db2.gz UBSNDLIAQCGAAE-AWEZNQCLSA-N 2 2 406.449 0.453 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000557000796 1079076513 /nfs/dbraw/zinc/07/65/13/1079076513.db2.gz UBSNDLIAQCGAAE-CQSZACIVSA-N 2 2 406.449 0.453 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000557000796 1079076510 /nfs/dbraw/zinc/07/65/10/1079076510.db2.gz UBSNDLIAQCGAAE-CQSZACIVSA-N 2 2 406.449 0.453 20 0 HCADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)oc1C ZINC000557012666 1079083911 /nfs/dbraw/zinc/08/39/11/1079083911.db2.gz QDNGDRPOQIBTRS-KRWDZBQOSA-N 2 2 403.527 0.973 20 0 HCADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)oc1C ZINC000557012666 1079083906 /nfs/dbraw/zinc/08/39/06/1079083906.db2.gz QDNGDRPOQIBTRS-KRWDZBQOSA-N 2 2 403.527 0.973 20 0 HCADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)oc1C ZINC000557012669 1079083791 /nfs/dbraw/zinc/08/37/91/1079083791.db2.gz QDNGDRPOQIBTRS-QGZVFWFLSA-N 2 2 403.527 0.973 20 0 HCADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)oc1C ZINC000557012669 1079083784 /nfs/dbraw/zinc/08/37/84/1079083784.db2.gz QDNGDRPOQIBTRS-QGZVFWFLSA-N 2 2 403.527 0.973 20 0 HCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000557019658 1079084340 /nfs/dbraw/zinc/08/43/40/1079084340.db2.gz KQORVZTZXSLAAI-IBGZPJMESA-N 2 2 418.538 0.566 20 0 HCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000557019660 1079084323 /nfs/dbraw/zinc/08/43/23/1079084323.db2.gz KQORVZTZXSLAAI-LJQANCHMSA-N 2 2 418.538 0.566 20 0 HCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557020989 1079085211 /nfs/dbraw/zinc/08/52/11/1079085211.db2.gz MARVNDWSELOLBF-IBGZPJMESA-N 2 2 418.538 0.614 20 0 HCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557020989 1079085208 /nfs/dbraw/zinc/08/52/08/1079085208.db2.gz MARVNDWSELOLBF-IBGZPJMESA-N 2 2 418.538 0.614 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557020990 1079085570 /nfs/dbraw/zinc/08/55/70/1079085570.db2.gz MARVNDWSELOLBF-LJQANCHMSA-N 2 2 418.538 0.614 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557020990 1079085565 /nfs/dbraw/zinc/08/55/65/1079085565.db2.gz MARVNDWSELOLBF-LJQANCHMSA-N 2 2 418.538 0.614 20 0 HCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557022244 1079087062 /nfs/dbraw/zinc/08/70/62/1079087062.db2.gz GZOWLUKXGOAZSY-UHFFFAOYSA-N 2 2 418.538 0.568 20 0 HCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000557023608 1079093824 /nfs/dbraw/zinc/09/38/24/1079093824.db2.gz UVXWYNXPFYUAEB-UHFFFAOYSA-N 2 2 418.538 0.568 20 0 HCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000557023608 1079093816 /nfs/dbraw/zinc/09/38/16/1079093816.db2.gz UVXWYNXPFYUAEB-UHFFFAOYSA-N 2 2 418.538 0.568 20 0 HCADLP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC[NH+]1CCSCC1 ZINC000557045840 1079104923 /nfs/dbraw/zinc/10/49/23/1079104923.db2.gz OKSPEWCDEVGVQP-UHFFFAOYSA-N 2 2 419.595 0.085 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000557061009 1079109683 /nfs/dbraw/zinc/10/96/83/1079109683.db2.gz WYSFXZJJGFYWGL-UHFFFAOYSA-N 2 2 417.529 0.807 20 0 HCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000557084874 1079124151 /nfs/dbraw/zinc/12/41/51/1079124151.db2.gz PLNHMLNIXQLSSI-KSZLIROESA-N 2 2 416.570 0.822 20 0 HCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000557084874 1079124144 /nfs/dbraw/zinc/12/41/44/1079124144.db2.gz PLNHMLNIXQLSSI-KSZLIROESA-N 2 2 416.570 0.822 20 0 HCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000557084880 1079124248 /nfs/dbraw/zinc/12/42/48/1079124248.db2.gz PLNHMLNIXQLSSI-KZNAEPCWSA-N 2 2 416.570 0.822 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000564370945 1078725702 /nfs/dbraw/zinc/72/57/02/1078725702.db2.gz PBQORFFVTDSBOG-JXFKEZNVSA-N 2 2 412.600 0.642 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000564370945 1078725697 /nfs/dbraw/zinc/72/56/97/1078725697.db2.gz PBQORFFVTDSBOG-JXFKEZNVSA-N 2 2 412.600 0.642 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000564370964 1078725659 /nfs/dbraw/zinc/72/56/59/1078725659.db2.gz PBQORFFVTDSBOG-OXJNMPFZSA-N 2 2 412.600 0.642 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000564370964 1078725655 /nfs/dbraw/zinc/72/56/55/1078725655.db2.gz PBQORFFVTDSBOG-OXJNMPFZSA-N 2 2 412.600 0.642 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000564370966 1078725869 /nfs/dbraw/zinc/72/58/69/1078725869.db2.gz PBQORFFVTDSBOG-OXQOHEQNSA-N 2 2 412.600 0.642 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000564370966 1078725862 /nfs/dbraw/zinc/72/58/62/1078725862.db2.gz PBQORFFVTDSBOG-OXQOHEQNSA-N 2 2 412.600 0.642 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000564370970 1078725633 /nfs/dbraw/zinc/72/56/33/1078725633.db2.gz PBQORFFVTDSBOG-UZLBHIALSA-N 2 2 412.600 0.642 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000564370970 1078725630 /nfs/dbraw/zinc/72/56/30/1078725630.db2.gz PBQORFFVTDSBOG-UZLBHIALSA-N 2 2 412.600 0.642 20 0 HCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)CC3)CC1 ZINC000583615410 560776135 /nfs/dbraw/zinc/77/61/35/560776135.db2.gz YHSCEKSCYQEQAD-AWEZNQCLSA-N 2 2 416.551 0.783 20 0 HCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)CC3)CC1 ZINC000583615411 560776154 /nfs/dbraw/zinc/77/61/54/560776154.db2.gz YHSCEKSCYQEQAD-CQSZACIVSA-N 2 2 416.551 0.783 20 0 HCADLP CCc1cc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n2ncnc2n1 ZINC000597948950 1073398785 /nfs/dbraw/zinc/39/87/85/1073398785.db2.gz RWNLLSRJSYUBOW-UHFFFAOYSA-N 2 2 400.531 0.361 20 0 HCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000598229796 1073433830 /nfs/dbraw/zinc/43/38/30/1073433830.db2.gz ASAWFSSLNCUGBC-UHFFFAOYSA-N 2 2 409.575 0.873 20 0 HCADLP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000598244074 1073437073 /nfs/dbraw/zinc/43/70/73/1073437073.db2.gz DDKJKEWJHPZYGH-IBGZPJMESA-N 2 2 411.591 0.975 20 0 HCADLP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000598244075 1073437208 /nfs/dbraw/zinc/43/72/08/1073437208.db2.gz DDKJKEWJHPZYGH-LJQANCHMSA-N 2 2 411.591 0.975 20 0 HCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000598266892 1073438991 /nfs/dbraw/zinc/43/89/91/1073438991.db2.gz BQLWOUROUJXCDZ-UHFFFAOYSA-N 2 2 417.558 0.185 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000598300154 1073441596 /nfs/dbraw/zinc/44/15/96/1073441596.db2.gz OCPNYHPXINWKOS-UHFFFAOYSA-N 2 2 403.593 0.373 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000598300154 1073441582 /nfs/dbraw/zinc/44/15/82/1073441582.db2.gz OCPNYHPXINWKOS-UHFFFAOYSA-N 2 2 403.593 0.373 20 0 HCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000598323806 1073450082 /nfs/dbraw/zinc/45/00/82/1073450082.db2.gz LVGWSQIZZWFXGT-LMMKCTJWSA-N 2 2 409.575 0.822 20 0 HCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323807 1073450416 /nfs/dbraw/zinc/45/04/16/1073450416.db2.gz LVGWSQIZZWFXGT-SCTDSRPQSA-N 2 2 409.575 0.822 20 0 HCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323807 1073450401 /nfs/dbraw/zinc/45/04/01/1073450401.db2.gz LVGWSQIZZWFXGT-SCTDSRPQSA-N 2 2 409.575 0.822 20 0 HCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000598323808 1073449904 /nfs/dbraw/zinc/44/99/04/1073449904.db2.gz LVGWSQIZZWFXGT-ZHALLVOQSA-N 2 2 409.575 0.822 20 0 HCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323809 1073450230 /nfs/dbraw/zinc/45/02/30/1073450230.db2.gz LVGWSQIZZWFXGT-ZIFCJYIRSA-N 2 2 409.575 0.822 20 0 HCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000598323809 1073450212 /nfs/dbraw/zinc/45/02/12/1073450212.db2.gz LVGWSQIZZWFXGT-ZIFCJYIRSA-N 2 2 409.575 0.822 20 0 HCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000599112015 1073563055 /nfs/dbraw/zinc/56/30/55/1073563055.db2.gz VIITTZUMTAJVQL-NRFANRHFSA-N 2 2 401.555 0.644 20 0 HCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000599112017 1073562963 /nfs/dbraw/zinc/56/29/63/1073562963.db2.gz VIITTZUMTAJVQL-OAQYLSRUSA-N 2 2 401.555 0.644 20 0 HCADLP CC[NH+]1CCC(NC(=O)Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000599121171 1073557838 /nfs/dbraw/zinc/55/78/38/1073557838.db2.gz OOJQAAKEHVLUAO-IBGZPJMESA-N 2 2 413.526 0.847 20 0 HCADLP CC[NH+]1CCC(NC(=O)Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000599121171 1073557828 /nfs/dbraw/zinc/55/78/28/1073557828.db2.gz OOJQAAKEHVLUAO-IBGZPJMESA-N 2 2 413.526 0.847 20 0 HCADLP CC[NH+]1CCC(NC(=O)Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000599121172 1073557994 /nfs/dbraw/zinc/55/79/94/1073557994.db2.gz OOJQAAKEHVLUAO-LJQANCHMSA-N 2 2 413.526 0.847 20 0 HCADLP CC[NH+]1CCC(NC(=O)Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000599121172 1073557976 /nfs/dbraw/zinc/55/79/76/1073557976.db2.gz OOJQAAKEHVLUAO-LJQANCHMSA-N 2 2 413.526 0.847 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@](C)(CO)c2ccccc2)CC1 ZINC000599173843 1073575637 /nfs/dbraw/zinc/57/56/37/1073575637.db2.gz ZPLISNACVDZLIH-NRFANRHFSA-N 2 2 409.494 0.509 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@](C)(CO)c2ccccc2)CC1 ZINC000599173844 1073575574 /nfs/dbraw/zinc/57/55/74/1073575574.db2.gz ZPLISNACVDZLIH-OAQYLSRUSA-N 2 2 409.494 0.509 20 0 HCADLP CC(C)[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000599487329 1073640624 /nfs/dbraw/zinc/64/06/24/1073640624.db2.gz CJRUEFPEWVBAOA-MOPGFXCFSA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000599487330 1073640690 /nfs/dbraw/zinc/64/06/90/1073640690.db2.gz CJRUEFPEWVBAOA-OALUTQOASA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000599487331 1073640216 /nfs/dbraw/zinc/64/02/16/1073640216.db2.gz CJRUEFPEWVBAOA-RBUKOAKNSA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000599487332 1073640078 /nfs/dbraw/zinc/64/00/78/1073640078.db2.gz CJRUEFPEWVBAOA-RTBURBONSA-N 2 2 410.559 0.173 20 0 HCADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000599966315 1073737082 /nfs/dbraw/zinc/73/70/82/1073737082.db2.gz ZPUGEQIJGBUYQO-MOPGFXCFSA-N 2 2 408.543 0.023 20 0 HCADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000599966327 1073737166 /nfs/dbraw/zinc/73/71/66/1073737166.db2.gz ZPUGEQIJGBUYQO-OALUTQOASA-N 2 2 408.543 0.023 20 0 HCADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000599966328 1073736944 /nfs/dbraw/zinc/73/69/44/1073736944.db2.gz ZPUGEQIJGBUYQO-RBUKOAKNSA-N 2 2 408.543 0.023 20 0 HCADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000599966329 1073737422 /nfs/dbraw/zinc/73/74/22/1073737422.db2.gz ZPUGEQIJGBUYQO-RTBURBONSA-N 2 2 408.543 0.023 20 0 HCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000599973468 1073754193 /nfs/dbraw/zinc/75/41/93/1073754193.db2.gz JJNXBLHUILVGNN-MOPGFXCFSA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000599973468 1073754182 /nfs/dbraw/zinc/75/41/82/1073754182.db2.gz JJNXBLHUILVGNN-MOPGFXCFSA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000599973469 1073754553 /nfs/dbraw/zinc/75/45/53/1073754553.db2.gz JJNXBLHUILVGNN-OALUTQOASA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000599973469 1073754546 /nfs/dbraw/zinc/75/45/46/1073754546.db2.gz JJNXBLHUILVGNN-OALUTQOASA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000599973470 1073754702 /nfs/dbraw/zinc/75/47/02/1073754702.db2.gz JJNXBLHUILVGNN-RBUKOAKNSA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000599973470 1073754684 /nfs/dbraw/zinc/75/46/84/1073754684.db2.gz JJNXBLHUILVGNN-RBUKOAKNSA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000599973471 1073754158 /nfs/dbraw/zinc/75/41/58/1073754158.db2.gz JJNXBLHUILVGNN-RTBURBONSA-N 2 2 410.559 0.173 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000599973471 1073754149 /nfs/dbraw/zinc/75/41/49/1073754149.db2.gz JJNXBLHUILVGNN-RTBURBONSA-N 2 2 410.559 0.173 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(N4CCOCC4)nc3)C2)CC1 ZINC000602283533 1073397964 /nfs/dbraw/zinc/39/79/64/1073397964.db2.gz LMPYRBHOHMSHLG-GOSISDBHSA-N 2 2 402.543 0.886 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(N4CCOCC4)nc3)C2)CC1 ZINC000602283533 1073397951 /nfs/dbraw/zinc/39/79/51/1073397951.db2.gz LMPYRBHOHMSHLG-GOSISDBHSA-N 2 2 402.543 0.886 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(N4CCOCC4)nc3)C2)CC1 ZINC000602283535 1073398154 /nfs/dbraw/zinc/39/81/54/1073398154.db2.gz LMPYRBHOHMSHLG-SFHVURJKSA-N 2 2 402.543 0.886 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(N4CCOCC4)nc3)C2)CC1 ZINC000602283535 1073398148 /nfs/dbraw/zinc/39/81/48/1073398148.db2.gz LMPYRBHOHMSHLG-SFHVURJKSA-N 2 2 402.543 0.886 20 0 HCADLP COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000602330072 1073399485 /nfs/dbraw/zinc/39/94/85/1073399485.db2.gz BYYSBUUFHDSUIH-INIZCTEOSA-N 2 2 404.511 0.718 20 0 HCADLP COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000602330072 1073399465 /nfs/dbraw/zinc/39/94/65/1073399465.db2.gz BYYSBUUFHDSUIH-INIZCTEOSA-N 2 2 404.511 0.718 20 0 HCADLP COc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000602330074 1073399722 /nfs/dbraw/zinc/39/97/22/1073399722.db2.gz BYYSBUUFHDSUIH-MRXNPFEDSA-N 2 2 404.511 0.718 20 0 HCADLP COc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000602330074 1073399712 /nfs/dbraw/zinc/39/97/12/1073399712.db2.gz BYYSBUUFHDSUIH-MRXNPFEDSA-N 2 2 404.511 0.718 20 0 HCADLP CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602330227 1073398465 /nfs/dbraw/zinc/39/84/65/1073398465.db2.gz HJDYERLOUMWJLA-KRWDZBQOSA-N 2 2 422.551 0.452 20 0 HCADLP CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602330227 1073398452 /nfs/dbraw/zinc/39/84/52/1073398452.db2.gz HJDYERLOUMWJLA-KRWDZBQOSA-N 2 2 422.551 0.452 20 0 HCADLP CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602330228 1073398949 /nfs/dbraw/zinc/39/89/49/1073398949.db2.gz HJDYERLOUMWJLA-QGZVFWFLSA-N 2 2 422.551 0.452 20 0 HCADLP CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602330228 1073398937 /nfs/dbraw/zinc/39/89/37/1073398937.db2.gz HJDYERLOUMWJLA-QGZVFWFLSA-N 2 2 422.551 0.452 20 0 HCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332734 1073402536 /nfs/dbraw/zinc/40/25/36/1073402536.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 3 2 405.587 0.604 20 0 HCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332734 1073402524 /nfs/dbraw/zinc/40/25/24/1073402524.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 3 2 405.587 0.604 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332734 1073402514 /nfs/dbraw/zinc/40/25/14/1073402514.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 3 2 405.587 0.604 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332734 1073402507 /nfs/dbraw/zinc/40/25/07/1073402507.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 3 2 405.587 0.604 20 0 HCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332736 1073402891 /nfs/dbraw/zinc/40/28/91/1073402891.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 3 2 405.587 0.604 20 0 HCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332736 1073402871 /nfs/dbraw/zinc/40/28/71/1073402871.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 3 2 405.587 0.604 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332736 1073402838 /nfs/dbraw/zinc/40/28/38/1073402838.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 3 2 405.587 0.604 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332736 1073402800 /nfs/dbraw/zinc/40/28/00/1073402800.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 3 2 405.587 0.604 20 0 HCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332738 1073401718 /nfs/dbraw/zinc/40/17/18/1073401718.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 3 2 405.587 0.604 20 0 HCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332738 1073401704 /nfs/dbraw/zinc/40/17/04/1073401704.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 3 2 405.587 0.604 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332738 1073401689 /nfs/dbraw/zinc/40/16/89/1073401689.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 3 2 405.587 0.604 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332738 1073401681 /nfs/dbraw/zinc/40/16/81/1073401681.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 3 2 405.587 0.604 20 0 HCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332740 1073401305 /nfs/dbraw/zinc/40/13/05/1073401305.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 3 2 405.587 0.604 20 0 HCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332740 1073401290 /nfs/dbraw/zinc/40/12/90/1073401290.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 3 2 405.587 0.604 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332740 1073401279 /nfs/dbraw/zinc/40/12/79/1073401279.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 3 2 405.587 0.604 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602332740 1073401267 /nfs/dbraw/zinc/40/12/67/1073401267.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 3 2 405.587 0.604 20 0 HCADLP CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602332758 1073401538 /nfs/dbraw/zinc/40/15/38/1073401538.db2.gz STUXSCIFBFZSPF-AEFFLSMTSA-N 2 2 400.589 0.865 20 0 HCADLP CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602332758 1073401524 /nfs/dbraw/zinc/40/15/24/1073401524.db2.gz STUXSCIFBFZSPF-AEFFLSMTSA-N 2 2 400.589 0.865 20 0 HCADLP CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602332759 1073401154 /nfs/dbraw/zinc/40/11/54/1073401154.db2.gz STUXSCIFBFZSPF-FUHWJXTLSA-N 2 2 400.589 0.865 20 0 HCADLP CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602332759 1073401140 /nfs/dbraw/zinc/40/11/40/1073401140.db2.gz STUXSCIFBFZSPF-FUHWJXTLSA-N 2 2 400.589 0.865 20 0 HCADLP CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602332760 1073401482 /nfs/dbraw/zinc/40/14/82/1073401482.db2.gz STUXSCIFBFZSPF-SJLPKXTDSA-N 2 2 400.589 0.865 20 0 HCADLP CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602332760 1073401472 /nfs/dbraw/zinc/40/14/72/1073401472.db2.gz STUXSCIFBFZSPF-SJLPKXTDSA-N 2 2 400.589 0.865 20 0 HCADLP CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602332761 1073401085 /nfs/dbraw/zinc/40/10/85/1073401085.db2.gz STUXSCIFBFZSPF-WMZOPIPTSA-N 2 2 400.589 0.865 20 0 HCADLP CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602332761 1073401074 /nfs/dbraw/zinc/40/10/74/1073401074.db2.gz STUXSCIFBFZSPF-WMZOPIPTSA-N 2 2 400.589 0.865 20 0 HCADLP O=C(CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000602344106 1073403750 /nfs/dbraw/zinc/40/37/50/1073403750.db2.gz FKDCMZIAPGGFMK-FCHUYYIVSA-N 2 2 416.566 0.666 20 0 HCADLP O=C(CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000602344108 1073403800 /nfs/dbraw/zinc/40/38/00/1073403800.db2.gz FKDCMZIAPGGFMK-FGZHOGPDSA-N 2 2 416.566 0.666 20 0 HCADLP O=C(CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000602344110 1073404128 /nfs/dbraw/zinc/40/41/28/1073404128.db2.gz FKDCMZIAPGGFMK-VXKWHMMOSA-N 2 2 416.566 0.666 20 0 HCADLP O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000602344112 1073403603 /nfs/dbraw/zinc/40/36/03/1073403603.db2.gz FKDCMZIAPGGFMK-YADHBBJMSA-N 2 2 416.566 0.666 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602518595 1073424856 /nfs/dbraw/zinc/42/48/56/1073424856.db2.gz NFHJVNQVVVOGEC-DLBZAZTESA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602518595 1073424848 /nfs/dbraw/zinc/42/48/48/1073424848.db2.gz NFHJVNQVVVOGEC-DLBZAZTESA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602518595 1073424840 /nfs/dbraw/zinc/42/48/40/1073424840.db2.gz NFHJVNQVVVOGEC-DLBZAZTESA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602518595 1073424813 /nfs/dbraw/zinc/42/48/13/1073424813.db2.gz NFHJVNQVVVOGEC-DLBZAZTESA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602518597 1073425636 /nfs/dbraw/zinc/42/56/36/1073425636.db2.gz NFHJVNQVVVOGEC-IAGOWNOFSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602518597 1073425627 /nfs/dbraw/zinc/42/56/27/1073425627.db2.gz NFHJVNQVVVOGEC-IAGOWNOFSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602518597 1073425616 /nfs/dbraw/zinc/42/56/16/1073425616.db2.gz NFHJVNQVVVOGEC-IAGOWNOFSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602518597 1073425607 /nfs/dbraw/zinc/42/56/07/1073425607.db2.gz NFHJVNQVVVOGEC-IAGOWNOFSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602518599 1073425465 /nfs/dbraw/zinc/42/54/65/1073425465.db2.gz NFHJVNQVVVOGEC-IRXDYDNUSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602518599 1073425454 /nfs/dbraw/zinc/42/54/54/1073425454.db2.gz NFHJVNQVVVOGEC-IRXDYDNUSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602518599 1073425445 /nfs/dbraw/zinc/42/54/45/1073425445.db2.gz NFHJVNQVVVOGEC-IRXDYDNUSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602518599 1073425434 /nfs/dbraw/zinc/42/54/34/1073425434.db2.gz NFHJVNQVVVOGEC-IRXDYDNUSA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602518601 1073426216 /nfs/dbraw/zinc/42/62/16/1073426216.db2.gz NFHJVNQVVVOGEC-SJORKVTESA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602518601 1073426197 /nfs/dbraw/zinc/42/61/97/1073426197.db2.gz NFHJVNQVVVOGEC-SJORKVTESA-N 2 2 403.531 0.675 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602518601 1073426168 /nfs/dbraw/zinc/42/61/68/1073426168.db2.gz NFHJVNQVVVOGEC-SJORKVTESA-N 2 2 403.531 0.675 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602518601 1073426149 /nfs/dbraw/zinc/42/61/49/1073426149.db2.gz NFHJVNQVVVOGEC-SJORKVTESA-N 2 2 403.531 0.675 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000603299688 1073501327 /nfs/dbraw/zinc/50/13/27/1073501327.db2.gz WKFWJDXOAQUZGN-UHFFFAOYSA-N 2 2 414.510 0.930 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000603299688 1073501312 /nfs/dbraw/zinc/50/13/12/1073501312.db2.gz WKFWJDXOAQUZGN-UHFFFAOYSA-N 2 2 414.510 0.930 20 0 HCADLP CN(C(=O)[C@H]1COc2ccccc21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000603469340 1073533524 /nfs/dbraw/zinc/53/35/24/1073533524.db2.gz NHVHPHJVYFNJLT-IBGZPJMESA-N 2 2 400.523 0.859 20 0 HCADLP CN(C(=O)[C@@H]1COc2ccccc21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000603469344 1073533859 /nfs/dbraw/zinc/53/38/59/1073533859.db2.gz NHVHPHJVYFNJLT-LJQANCHMSA-N 2 2 400.523 0.859 20 0 HCADLP CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000603533507 1073556819 /nfs/dbraw/zinc/55/68/19/1073556819.db2.gz KGQHWLAUCVCBFL-KRWDZBQOSA-N 2 2 401.577 0.268 20 0 HCADLP CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000603533514 1073556772 /nfs/dbraw/zinc/55/67/72/1073556772.db2.gz KGQHWLAUCVCBFL-QGZVFWFLSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000603623161 1073580699 /nfs/dbraw/zinc/58/06/99/1073580699.db2.gz IOCVQBCZKWNKCY-INIZCTEOSA-N 2 2 401.511 0.423 20 0 HCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000603623163 1073580817 /nfs/dbraw/zinc/58/08/17/1073580817.db2.gz IOCVQBCZKWNKCY-MRXNPFEDSA-N 2 2 401.511 0.423 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000604156575 1073713869 /nfs/dbraw/zinc/71/38/69/1073713869.db2.gz VWLUJGRRYZSOSO-INIZCTEOSA-N 2 2 409.556 0.344 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000604156575 1073713860 /nfs/dbraw/zinc/71/38/60/1073713860.db2.gz VWLUJGRRYZSOSO-INIZCTEOSA-N 2 2 409.556 0.344 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000604156576 1073713718 /nfs/dbraw/zinc/71/37/18/1073713718.db2.gz VWLUJGRRYZSOSO-MRXNPFEDSA-N 2 2 409.556 0.344 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000604156576 1073713708 /nfs/dbraw/zinc/71/37/08/1073713708.db2.gz VWLUJGRRYZSOSO-MRXNPFEDSA-N 2 2 409.556 0.344 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000604158044 1073714751 /nfs/dbraw/zinc/71/47/51/1073714751.db2.gz JZOOCESFBOFPND-INIZCTEOSA-N 2 2 420.558 0.709 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000604158044 1073714747 /nfs/dbraw/zinc/71/47/47/1073714747.db2.gz JZOOCESFBOFPND-INIZCTEOSA-N 2 2 420.558 0.709 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000604158045 1073714596 /nfs/dbraw/zinc/71/45/96/1073714596.db2.gz JZOOCESFBOFPND-MRXNPFEDSA-N 2 2 420.558 0.709 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000604158045 1073714589 /nfs/dbraw/zinc/71/45/89/1073714589.db2.gz JZOOCESFBOFPND-MRXNPFEDSA-N 2 2 420.558 0.709 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000604158435 1073715224 /nfs/dbraw/zinc/71/52/24/1073715224.db2.gz TZYLMTPYOGPYDO-GFCCVEGCSA-N 2 2 401.558 0.363 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000604158435 1073715210 /nfs/dbraw/zinc/71/52/10/1073715210.db2.gz TZYLMTPYOGPYDO-GFCCVEGCSA-N 2 2 401.558 0.363 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000604158440 1073715331 /nfs/dbraw/zinc/71/53/31/1073715331.db2.gz TZYLMTPYOGPYDO-LBPRGKRZSA-N 2 2 401.558 0.363 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000604158440 1073715321 /nfs/dbraw/zinc/71/53/21/1073715321.db2.gz TZYLMTPYOGPYDO-LBPRGKRZSA-N 2 2 401.558 0.363 20 0 HCADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161719 1073717241 /nfs/dbraw/zinc/71/72/41/1073717241.db2.gz KDGACZRCWWAUPW-GDBMZVCRSA-N 2 2 409.556 0.863 20 0 HCADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161719 1073717228 /nfs/dbraw/zinc/71/72/28/1073717228.db2.gz KDGACZRCWWAUPW-GDBMZVCRSA-N 2 2 409.556 0.863 20 0 HCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161720 1073717644 /nfs/dbraw/zinc/71/76/44/1073717644.db2.gz KDGACZRCWWAUPW-GOEBONIOSA-N 2 2 409.556 0.863 20 0 HCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161720 1073717628 /nfs/dbraw/zinc/71/76/28/1073717628.db2.gz KDGACZRCWWAUPW-GOEBONIOSA-N 2 2 409.556 0.863 20 0 HCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161722 1073717360 /nfs/dbraw/zinc/71/73/60/1073717360.db2.gz KDGACZRCWWAUPW-HOCLYGCPSA-N 2 2 409.556 0.863 20 0 HCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161722 1073717350 /nfs/dbraw/zinc/71/73/50/1073717350.db2.gz KDGACZRCWWAUPW-HOCLYGCPSA-N 2 2 409.556 0.863 20 0 HCADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161724 1073717747 /nfs/dbraw/zinc/71/77/47/1073717747.db2.gz KDGACZRCWWAUPW-ZBFHGGJFSA-N 2 2 409.556 0.863 20 0 HCADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161724 1073717733 /nfs/dbraw/zinc/71/77/33/1073717733.db2.gz KDGACZRCWWAUPW-ZBFHGGJFSA-N 2 2 409.556 0.863 20 0 HCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000604162066 1073717500 /nfs/dbraw/zinc/71/75/00/1073717500.db2.gz YQGWTGDLIAAPHX-FQEVSTJZSA-N 2 2 423.602 0.929 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000604162066 1073717482 /nfs/dbraw/zinc/71/74/82/1073717482.db2.gz YQGWTGDLIAAPHX-FQEVSTJZSA-N 2 2 423.602 0.929 20 0 HCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000604162078 1073717321 /nfs/dbraw/zinc/71/73/21/1073717321.db2.gz YQGWTGDLIAAPHX-HXUWFJFHSA-N 2 2 423.602 0.929 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000604162078 1073717314 /nfs/dbraw/zinc/71/73/14/1073717314.db2.gz YQGWTGDLIAAPHX-HXUWFJFHSA-N 2 2 423.602 0.929 20 0 HCADLP CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000604163550 1073718280 /nfs/dbraw/zinc/71/82/80/1073718280.db2.gz JUOQBYHWCLIQBJ-CYBMUJFWSA-N 2 2 415.585 0.624 20 0 HCADLP CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000604163550 1073718255 /nfs/dbraw/zinc/71/82/55/1073718255.db2.gz JUOQBYHWCLIQBJ-CYBMUJFWSA-N 2 2 415.585 0.624 20 0 HCADLP CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000604163552 1073718635 /nfs/dbraw/zinc/71/86/35/1073718635.db2.gz JUOQBYHWCLIQBJ-ZDUSSCGKSA-N 2 2 415.585 0.624 20 0 HCADLP CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000604163552 1073718618 /nfs/dbraw/zinc/71/86/18/1073718618.db2.gz JUOQBYHWCLIQBJ-ZDUSSCGKSA-N 2 2 415.585 0.624 20 0 HCADLP CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604165033 1073725795 /nfs/dbraw/zinc/72/57/95/1073725795.db2.gz XAIZHRPPTFQXHJ-KRWDZBQOSA-N 2 2 423.583 0.905 20 0 HCADLP CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604165033 1073725783 /nfs/dbraw/zinc/72/57/83/1073725783.db2.gz XAIZHRPPTFQXHJ-KRWDZBQOSA-N 2 2 423.583 0.905 20 0 HCADLP CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604165035 1073725638 /nfs/dbraw/zinc/72/56/38/1073725638.db2.gz XAIZHRPPTFQXHJ-QGZVFWFLSA-N 2 2 423.583 0.905 20 0 HCADLP CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604165035 1073725628 /nfs/dbraw/zinc/72/56/28/1073725628.db2.gz XAIZHRPPTFQXHJ-QGZVFWFLSA-N 2 2 423.583 0.905 20 0 HCADLP CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604165203 1073726574 /nfs/dbraw/zinc/72/65/74/1073726574.db2.gz OCRWEDZLKCMDMY-GOSISDBHSA-N 2 2 423.583 0.704 20 0 HCADLP CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604165203 1073726571 /nfs/dbraw/zinc/72/65/71/1073726571.db2.gz OCRWEDZLKCMDMY-GOSISDBHSA-N 2 2 423.583 0.704 20 0 HCADLP CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604165204 1073726696 /nfs/dbraw/zinc/72/66/96/1073726696.db2.gz OCRWEDZLKCMDMY-SFHVURJKSA-N 2 2 423.583 0.704 20 0 HCADLP CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604165204 1073726690 /nfs/dbraw/zinc/72/66/90/1073726690.db2.gz OCRWEDZLKCMDMY-SFHVURJKSA-N 2 2 423.583 0.704 20 0 HCADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)CC1 ZINC000604165544 1073727134 /nfs/dbraw/zinc/72/71/34/1073727134.db2.gz CAIOMZUTWFQCBS-UHFFFAOYSA-N 2 2 422.618 0.598 20 0 HCADLP CC(C)[C@H](CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCOCC1 ZINC000604165985 1073726807 /nfs/dbraw/zinc/72/68/07/1073726807.db2.gz QIKHLKSJEORKRU-FQEVSTJZSA-N 2 2 423.602 0.929 20 0 HCADLP CC(C)[C@@H](CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCOCC1 ZINC000604165987 1073726401 /nfs/dbraw/zinc/72/64/01/1073726401.db2.gz QIKHLKSJEORKRU-HXUWFJFHSA-N 2 2 423.602 0.929 20 0 HCADLP CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604166077 1073726614 /nfs/dbraw/zinc/72/66/14/1073726614.db2.gz LWMYCLQQYHSGQP-INIZCTEOSA-N 2 2 401.577 0.268 20 0 HCADLP CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604166077 1073726606 /nfs/dbraw/zinc/72/66/06/1073726606.db2.gz LWMYCLQQYHSGQP-INIZCTEOSA-N 2 2 401.577 0.268 20 0 HCADLP CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604166078 1073726743 /nfs/dbraw/zinc/72/67/43/1073726743.db2.gz LWMYCLQQYHSGQP-MRXNPFEDSA-N 2 2 401.577 0.268 20 0 HCADLP CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604166078 1073726740 /nfs/dbraw/zinc/72/67/40/1073726740.db2.gz LWMYCLQQYHSGQP-MRXNPFEDSA-N 2 2 401.577 0.268 20 0 HCADLP COc1cccc(C(=O)NCCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604166128 1073726528 /nfs/dbraw/zinc/72/65/28/1073726528.db2.gz PVAKRYUJSYZDBT-KRWDZBQOSA-N 2 2 403.527 0.893 20 0 HCADLP COc1cccc(C(=O)NCCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604166128 1073726518 /nfs/dbraw/zinc/72/65/18/1073726518.db2.gz PVAKRYUJSYZDBT-KRWDZBQOSA-N 2 2 403.527 0.893 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)CC1 ZINC000604166166 1073727384 /nfs/dbraw/zinc/72/73/84/1073727384.db2.gz VYVZNMJECDCLOD-MRXNPFEDSA-N 2 2 415.604 0.706 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)CC1 ZINC000604166166 1073727369 /nfs/dbraw/zinc/72/73/69/1073727369.db2.gz VYVZNMJECDCLOD-MRXNPFEDSA-N 2 2 415.604 0.706 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000604166848 1073727174 /nfs/dbraw/zinc/72/71/74/1073727174.db2.gz FVZVVDCHJTYZRF-INIZCTEOSA-N 2 2 409.556 0.433 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000604166848 1073727170 /nfs/dbraw/zinc/72/71/70/1073727170.db2.gz FVZVVDCHJTYZRF-INIZCTEOSA-N 2 2 409.556 0.433 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000604166849 1073727462 /nfs/dbraw/zinc/72/74/62/1073727462.db2.gz FVZVVDCHJTYZRF-MRXNPFEDSA-N 2 2 409.556 0.433 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000604166849 1073727447 /nfs/dbraw/zinc/72/74/47/1073727447.db2.gz FVZVVDCHJTYZRF-MRXNPFEDSA-N 2 2 409.556 0.433 20 0 HCADLP Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604167365 1073728214 /nfs/dbraw/zinc/72/82/14/1073728214.db2.gz VTRRYMACOYYWTA-QGZVFWFLSA-N 2 2 423.583 0.741 20 0 HCADLP Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604167365 1073728203 /nfs/dbraw/zinc/72/82/03/1073728203.db2.gz VTRRYMACOYYWTA-QGZVFWFLSA-N 2 2 423.583 0.741 20 0 HCADLP CNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604170462 1073730971 /nfs/dbraw/zinc/73/09/71/1073730971.db2.gz CDLBITXREPRPAY-INIZCTEOSA-N 2 2 409.556 0.562 20 0 HCADLP CNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604170462 1073730961 /nfs/dbraw/zinc/73/09/61/1073730961.db2.gz CDLBITXREPRPAY-INIZCTEOSA-N 2 2 409.556 0.562 20 0 HCADLP CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604170463 1073731462 /nfs/dbraw/zinc/73/14/62/1073731462.db2.gz CDLBITXREPRPAY-MRXNPFEDSA-N 2 2 409.556 0.562 20 0 HCADLP CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604170463 1073731447 /nfs/dbraw/zinc/73/14/47/1073731447.db2.gz CDLBITXREPRPAY-MRXNPFEDSA-N 2 2 409.556 0.562 20 0 HCADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)CC1 ZINC000604172770 1073732071 /nfs/dbraw/zinc/73/20/71/1073732071.db2.gz OCTCKXUHYNFZLV-UHFFFAOYSA-N 2 2 409.575 0.685 20 0 HCADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604173644 1073732591 /nfs/dbraw/zinc/73/25/91/1073732591.db2.gz LAQGPCNBINOTNM-INIZCTEOSA-N 2 2 422.555 0.069 20 0 HCADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604173644 1073732574 /nfs/dbraw/zinc/73/25/74/1073732574.db2.gz LAQGPCNBINOTNM-INIZCTEOSA-N 2 2 422.555 0.069 20 0 HCADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604173645 1073732180 /nfs/dbraw/zinc/73/21/80/1073732180.db2.gz LAQGPCNBINOTNM-MRXNPFEDSA-N 2 2 422.555 0.069 20 0 HCADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604173645 1073732168 /nfs/dbraw/zinc/73/21/68/1073732168.db2.gz LAQGPCNBINOTNM-MRXNPFEDSA-N 2 2 422.555 0.069 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2)CC1 ZINC000604173743 1073732495 /nfs/dbraw/zinc/73/24/95/1073732495.db2.gz ZNCZMYZYKMEVOE-KRWDZBQOSA-N 2 2 415.542 0.181 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2)CC1 ZINC000604173743 1073732474 /nfs/dbraw/zinc/73/24/74/1073732474.db2.gz ZNCZMYZYKMEVOE-KRWDZBQOSA-N 2 2 415.542 0.181 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2)CC1 ZINC000604173744 1073732371 /nfs/dbraw/zinc/73/23/71/1073732371.db2.gz ZNCZMYZYKMEVOE-QGZVFWFLSA-N 2 2 415.542 0.181 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2)CC1 ZINC000604173744 1073732361 /nfs/dbraw/zinc/73/23/61/1073732361.db2.gz ZNCZMYZYKMEVOE-QGZVFWFLSA-N 2 2 415.542 0.181 20 0 HCADLP COc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1OCC(N)=O ZINC000604175751 1073734011 /nfs/dbraw/zinc/73/40/11/1073734011.db2.gz ABFUGPBHYCRWJF-INIZCTEOSA-N 2 2 419.526 0.527 20 0 HCADLP COc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1OCC(N)=O ZINC000604175751 1073733992 /nfs/dbraw/zinc/73/39/92/1073733992.db2.gz ABFUGPBHYCRWJF-INIZCTEOSA-N 2 2 419.526 0.527 20 0 HCADLP COc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1OCC(N)=O ZINC000604175752 1073734341 /nfs/dbraw/zinc/73/43/41/1073734341.db2.gz ABFUGPBHYCRWJF-MRXNPFEDSA-N 2 2 419.526 0.527 20 0 HCADLP COc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1OCC(N)=O ZINC000604175752 1073734320 /nfs/dbraw/zinc/73/43/20/1073734320.db2.gz ABFUGPBHYCRWJF-MRXNPFEDSA-N 2 2 419.526 0.527 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)NCc3ccccc3)C2)CC1 ZINC000604176139 1073734146 /nfs/dbraw/zinc/73/41/46/1073734146.db2.gz YXCVRNYPEOGHSV-GOSISDBHSA-N 2 2 423.583 0.574 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)NCc3ccccc3)C2)CC1 ZINC000604176139 1073734125 /nfs/dbraw/zinc/73/41/25/1073734125.db2.gz YXCVRNYPEOGHSV-GOSISDBHSA-N 2 2 423.583 0.574 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)NCc3ccccc3)C2)CC1 ZINC000604176140 1073734226 /nfs/dbraw/zinc/73/42/26/1073734226.db2.gz YXCVRNYPEOGHSV-SFHVURJKSA-N 2 2 423.583 0.574 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)NCc3ccccc3)C2)CC1 ZINC000604176140 1073734211 /nfs/dbraw/zinc/73/42/11/1073734211.db2.gz YXCVRNYPEOGHSV-SFHVURJKSA-N 2 2 423.583 0.574 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000604176908 1073735200 /nfs/dbraw/zinc/73/52/00/1073735200.db2.gz GYPPOCJNDZHWRQ-INIZCTEOSA-N 2 2 405.547 0.239 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000604176908 1073735187 /nfs/dbraw/zinc/73/51/87/1073735187.db2.gz GYPPOCJNDZHWRQ-INIZCTEOSA-N 2 2 405.547 0.239 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000604176909 1073735455 /nfs/dbraw/zinc/73/54/55/1073735455.db2.gz GYPPOCJNDZHWRQ-MRXNPFEDSA-N 2 2 405.547 0.239 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000604176909 1073735434 /nfs/dbraw/zinc/73/54/34/1073735434.db2.gz GYPPOCJNDZHWRQ-MRXNPFEDSA-N 2 2 405.547 0.239 20 0 HCADLP CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604177034 1073735158 /nfs/dbraw/zinc/73/51/58/1073735158.db2.gz HUAGULPUPPMSJE-KRWDZBQOSA-N 2 2 423.583 0.905 20 0 HCADLP CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604177034 1073735142 /nfs/dbraw/zinc/73/51/42/1073735142.db2.gz HUAGULPUPPMSJE-KRWDZBQOSA-N 2 2 423.583 0.905 20 0 HCADLP CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604177035 1073735569 /nfs/dbraw/zinc/73/55/69/1073735569.db2.gz HUAGULPUPPMSJE-QGZVFWFLSA-N 2 2 423.583 0.905 20 0 HCADLP CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604177035 1073735551 /nfs/dbraw/zinc/73/55/51/1073735551.db2.gz HUAGULPUPPMSJE-QGZVFWFLSA-N 2 2 423.583 0.905 20 0 HCADLP COc1ccc(C(=O)NCCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604177112 1073735048 /nfs/dbraw/zinc/73/50/48/1073735048.db2.gz TUXBWDYVSIZRCW-KRWDZBQOSA-N 2 2 403.527 0.893 20 0 HCADLP COc1ccc(C(=O)NCCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604177112 1073735032 /nfs/dbraw/zinc/73/50/32/1073735032.db2.gz TUXBWDYVSIZRCW-KRWDZBQOSA-N 2 2 403.527 0.893 20 0 HCADLP COc1ccc(C(=O)NCCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604177113 1073735690 /nfs/dbraw/zinc/73/56/90/1073735690.db2.gz TUXBWDYVSIZRCW-QGZVFWFLSA-N 2 2 403.527 0.893 20 0 HCADLP COc1ccc(C(=O)NCCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604177113 1073735672 /nfs/dbraw/zinc/73/56/72/1073735672.db2.gz TUXBWDYVSIZRCW-QGZVFWFLSA-N 2 2 403.527 0.893 20 0 HCADLP CNC(=O)COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604177426 1073734729 /nfs/dbraw/zinc/73/47/29/1073734729.db2.gz AQDUWDSBZIWZGG-KRWDZBQOSA-N 2 2 403.527 0.779 20 0 HCADLP CNC(=O)COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604177426 1073734714 /nfs/dbraw/zinc/73/47/14/1073734714.db2.gz AQDUWDSBZIWZGG-KRWDZBQOSA-N 2 2 403.527 0.779 20 0 HCADLP CNC(=O)COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604177427 1073735304 /nfs/dbraw/zinc/73/53/04/1073735304.db2.gz AQDUWDSBZIWZGG-QGZVFWFLSA-N 2 2 403.527 0.779 20 0 HCADLP CNC(=O)COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604177427 1073735298 /nfs/dbraw/zinc/73/52/98/1073735298.db2.gz AQDUWDSBZIWZGG-QGZVFWFLSA-N 2 2 403.527 0.779 20 0 HCADLP C[NH+](C)CCOC1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000604180630 1073724009 /nfs/dbraw/zinc/72/40/09/1073724009.db2.gz OBYGDETVMRWKOZ-IBGZPJMESA-N 2 2 400.589 0.947 20 0 HCADLP C[NH+](C)CCOC1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000604180631 1073724371 /nfs/dbraw/zinc/72/43/71/1073724371.db2.gz OBYGDETVMRWKOZ-LJQANCHMSA-N 2 2 400.589 0.947 20 0 HCADLP COc1ccc(CNC(=O)CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604182521 1073725075 /nfs/dbraw/zinc/72/50/75/1073725075.db2.gz OUDFEVKPFVFKPF-KRWDZBQOSA-N 2 2 403.527 0.779 20 0 HCADLP COc1ccc(CNC(=O)CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604182521 1073725072 /nfs/dbraw/zinc/72/50/72/1073725072.db2.gz OUDFEVKPFVFKPF-KRWDZBQOSA-N 2 2 403.527 0.779 20 0 HCADLP COc1ccc(CNC(=O)CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604182522 1073725162 /nfs/dbraw/zinc/72/51/62/1073725162.db2.gz OUDFEVKPFVFKPF-QGZVFWFLSA-N 2 2 403.527 0.779 20 0 HCADLP COc1ccc(CNC(=O)CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000604182522 1073725155 /nfs/dbraw/zinc/72/51/55/1073725155.db2.gz OUDFEVKPFVFKPF-QGZVFWFLSA-N 2 2 403.527 0.779 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000604186374 1073740546 /nfs/dbraw/zinc/74/05/46/1073740546.db2.gz BRYXENYXDZWNGO-GOSISDBHSA-N 2 2 405.518 0.952 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000604186374 1073740525 /nfs/dbraw/zinc/74/05/25/1073740525.db2.gz BRYXENYXDZWNGO-GOSISDBHSA-N 2 2 405.518 0.952 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000604186375 1073741085 /nfs/dbraw/zinc/74/10/85/1073741085.db2.gz BRYXENYXDZWNGO-SFHVURJKSA-N 2 2 405.518 0.952 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000604186375 1073741057 /nfs/dbraw/zinc/74/10/57/1073741057.db2.gz BRYXENYXDZWNGO-SFHVURJKSA-N 2 2 405.518 0.952 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000604186846 1073739032 /nfs/dbraw/zinc/73/90/32/1073739032.db2.gz VFWMQKYRFUSHMG-MRXNPFEDSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000604186846 1073739007 /nfs/dbraw/zinc/73/90/07/1073739007.db2.gz VFWMQKYRFUSHMG-MRXNPFEDSA-N 2 2 401.577 0.126 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604187765 1073740413 /nfs/dbraw/zinc/74/04/13/1073740413.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604187765 1073740374 /nfs/dbraw/zinc/74/03/74/1073740374.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604187765 1073740350 /nfs/dbraw/zinc/74/03/50/1073740350.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604187765 1073740329 /nfs/dbraw/zinc/74/03/29/1073740329.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604187766 1073740115 /nfs/dbraw/zinc/74/01/15/1073740115.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604187766 1073740103 /nfs/dbraw/zinc/74/01/03/1073740103.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604187766 1073740089 /nfs/dbraw/zinc/74/00/89/1073740089.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604187766 1073740073 /nfs/dbraw/zinc/74/00/73/1073740073.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604187767 1073740927 /nfs/dbraw/zinc/74/09/27/1073740927.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604187767 1073740913 /nfs/dbraw/zinc/74/09/13/1073740913.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604187767 1073740904 /nfs/dbraw/zinc/74/09/04/1073740904.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604187767 1073740883 /nfs/dbraw/zinc/74/08/83/1073740883.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604187768 1073740695 /nfs/dbraw/zinc/74/06/95/1073740695.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604187768 1073740680 /nfs/dbraw/zinc/74/06/80/1073740680.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604187768 1073740669 /nfs/dbraw/zinc/74/06/69/1073740669.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604187768 1073740659 /nfs/dbraw/zinc/74/06/59/1073740659.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 3 2 408.591 0.397 20 0 HCADLP CN(CCc1ccccn1)C(=O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604190941 1073741638 /nfs/dbraw/zinc/74/16/38/1073741638.db2.gz PFGUKIGJRJEAJA-GOSISDBHSA-N 2 2 402.543 0.550 20 0 HCADLP CN(CCc1ccccn1)C(=O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604190941 1073741629 /nfs/dbraw/zinc/74/16/29/1073741629.db2.gz PFGUKIGJRJEAJA-GOSISDBHSA-N 2 2 402.543 0.550 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000604193993 1073743247 /nfs/dbraw/zinc/74/32/47/1073743247.db2.gz QKSXZGLBFOTZNT-INIZCTEOSA-N 2 2 424.567 0.937 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000604193993 1073743227 /nfs/dbraw/zinc/74/32/27/1073743227.db2.gz QKSXZGLBFOTZNT-INIZCTEOSA-N 2 2 424.567 0.937 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000604193994 1073743039 /nfs/dbraw/zinc/74/30/39/1073743039.db2.gz QKSXZGLBFOTZNT-MRXNPFEDSA-N 2 2 424.567 0.937 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000604193994 1073743019 /nfs/dbraw/zinc/74/30/19/1073743019.db2.gz QKSXZGLBFOTZNT-MRXNPFEDSA-N 2 2 424.567 0.937 20 0 HCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000604194315 1073743648 /nfs/dbraw/zinc/74/36/48/1073743648.db2.gz IRBRCVXVPNJIOH-GOSISDBHSA-N 2 2 408.591 0.208 20 0 HCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000604194316 1073743804 /nfs/dbraw/zinc/74/38/04/1073743804.db2.gz IRBRCVXVPNJIOH-SFHVURJKSA-N 2 2 408.591 0.208 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604195119 1073743131 /nfs/dbraw/zinc/74/31/31/1073743131.db2.gz ODTHDQACOWFXQQ-GOSISDBHSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604195119 1073743119 /nfs/dbraw/zinc/74/31/19/1073743119.db2.gz ODTHDQACOWFXQQ-GOSISDBHSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604195120 1073743908 /nfs/dbraw/zinc/74/39/08/1073743908.db2.gz ODTHDQACOWFXQQ-SFHVURJKSA-N 3 2 408.591 0.397 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604195120 1073743889 /nfs/dbraw/zinc/74/38/89/1073743889.db2.gz ODTHDQACOWFXQQ-SFHVURJKSA-N 3 2 408.591 0.397 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000604197642 1073744799 /nfs/dbraw/zinc/74/47/99/1073744799.db2.gz QARVPPUCKCBBGC-DLBZAZTESA-N 2 2 414.554 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000604197642 1073744781 /nfs/dbraw/zinc/74/47/81/1073744781.db2.gz QARVPPUCKCBBGC-DLBZAZTESA-N 2 2 414.554 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000604197644 1073744601 /nfs/dbraw/zinc/74/46/01/1073744601.db2.gz QARVPPUCKCBBGC-IAGOWNOFSA-N 2 2 414.554 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000604197644 1073744594 /nfs/dbraw/zinc/74/45/94/1073744594.db2.gz QARVPPUCKCBBGC-IAGOWNOFSA-N 2 2 414.554 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000604197646 1073744881 /nfs/dbraw/zinc/74/48/81/1073744881.db2.gz QARVPPUCKCBBGC-IRXDYDNUSA-N 2 2 414.554 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000604197646 1073744869 /nfs/dbraw/zinc/74/48/69/1073744869.db2.gz QARVPPUCKCBBGC-IRXDYDNUSA-N 2 2 414.554 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000604197650 1073744560 /nfs/dbraw/zinc/74/45/60/1073744560.db2.gz QARVPPUCKCBBGC-SJORKVTESA-N 2 2 414.554 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000604197650 1073744553 /nfs/dbraw/zinc/74/45/53/1073744553.db2.gz QARVPPUCKCBBGC-SJORKVTESA-N 2 2 414.554 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)NCC3CCC3)C2)CC1 ZINC000604198245 1073745706 /nfs/dbraw/zinc/74/57/06/1073745706.db2.gz ZUQQRLSPDWMNLP-MRXNPFEDSA-N 2 2 401.577 0.174 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)NCC3CCC3)C2)CC1 ZINC000604198245 1073745702 /nfs/dbraw/zinc/74/57/02/1073745702.db2.gz ZUQQRLSPDWMNLP-MRXNPFEDSA-N 2 2 401.577 0.174 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC000604207165 1073738894 /nfs/dbraw/zinc/73/88/94/1073738894.db2.gz BAUMQDYAVLRWHX-MSOLQXFVSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC000604207165 1073738881 /nfs/dbraw/zinc/73/88/81/1073738881.db2.gz BAUMQDYAVLRWHX-MSOLQXFVSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC000604207166 1073739235 /nfs/dbraw/zinc/73/92/35/1073739235.db2.gz BAUMQDYAVLRWHX-QZTJIDSGSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC000604207166 1073739213 /nfs/dbraw/zinc/73/92/13/1073739213.db2.gz BAUMQDYAVLRWHX-QZTJIDSGSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC000604207167 1073739445 /nfs/dbraw/zinc/73/94/45/1073739445.db2.gz BAUMQDYAVLRWHX-ROUUACIJSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC000604207167 1073739433 /nfs/dbraw/zinc/73/94/33/1073739433.db2.gz BAUMQDYAVLRWHX-ROUUACIJSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC000604207168 1073738744 /nfs/dbraw/zinc/73/87/44/1073738744.db2.gz BAUMQDYAVLRWHX-ZWKOTPCHSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC000604207168 1073738734 /nfs/dbraw/zinc/73/87/34/1073738734.db2.gz BAUMQDYAVLRWHX-ZWKOTPCHSA-N 2 2 407.559 0.435 20 0 HCADLP Cn1cccc1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604207436 1073750910 /nfs/dbraw/zinc/75/09/10/1073750910.db2.gz FKFGFELHXJIFHY-KRWDZBQOSA-N 2 2 402.543 0.661 20 0 HCADLP Cn1cccc1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604207436 1073750897 /nfs/dbraw/zinc/75/08/97/1073750897.db2.gz FKFGFELHXJIFHY-KRWDZBQOSA-N 2 2 402.543 0.661 20 0 HCADLP Cn1cccc1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604207438 1073750996 /nfs/dbraw/zinc/75/09/96/1073750996.db2.gz FKFGFELHXJIFHY-QGZVFWFLSA-N 2 2 402.543 0.661 20 0 HCADLP Cn1cccc1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604207438 1073750972 /nfs/dbraw/zinc/75/09/72/1073750972.db2.gz FKFGFELHXJIFHY-QGZVFWFLSA-N 2 2 402.543 0.661 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)CC1 ZINC000604207904 1073749845 /nfs/dbraw/zinc/74/98/45/1073749845.db2.gz AHGSGVSVPLCEKE-IBGZPJMESA-N 2 2 420.602 0.495 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)CC1 ZINC000604207904 1073749836 /nfs/dbraw/zinc/74/98/36/1073749836.db2.gz AHGSGVSVPLCEKE-IBGZPJMESA-N 2 2 420.602 0.495 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)CC1 ZINC000604207905 1073750832 /nfs/dbraw/zinc/75/08/32/1073750832.db2.gz AHGSGVSVPLCEKE-LJQANCHMSA-N 2 2 420.602 0.495 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)CC1 ZINC000604207905 1073750817 /nfs/dbraw/zinc/75/08/17/1073750817.db2.gz AHGSGVSVPLCEKE-LJQANCHMSA-N 2 2 420.602 0.495 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)CC1 ZINC000604208161 1073750046 /nfs/dbraw/zinc/75/00/46/1073750046.db2.gz HNCLFRUKKJOBEW-INIZCTEOSA-N 2 2 415.542 0.181 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)CC1 ZINC000604208161 1073750032 /nfs/dbraw/zinc/75/00/32/1073750032.db2.gz HNCLFRUKKJOBEW-INIZCTEOSA-N 2 2 415.542 0.181 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)CC1 ZINC000604208164 1073750197 /nfs/dbraw/zinc/75/01/97/1073750197.db2.gz HNCLFRUKKJOBEW-MRXNPFEDSA-N 2 2 415.542 0.181 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)CC1 ZINC000604208164 1073750191 /nfs/dbraw/zinc/75/01/91/1073750191.db2.gz HNCLFRUKKJOBEW-MRXNPFEDSA-N 2 2 415.542 0.181 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000604208265 1073752079 /nfs/dbraw/zinc/75/20/79/1073752079.db2.gz INTPIYLSVFXIBA-CVEARBPZSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000604208265 1073752067 /nfs/dbraw/zinc/75/20/67/1073752067.db2.gz INTPIYLSVFXIBA-CVEARBPZSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000604208267 1073751399 /nfs/dbraw/zinc/75/13/99/1073751399.db2.gz INTPIYLSVFXIBA-HZPDHXFCSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000604208267 1073751391 /nfs/dbraw/zinc/75/13/91/1073751391.db2.gz INTPIYLSVFXIBA-HZPDHXFCSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000604208268 1073751978 /nfs/dbraw/zinc/75/19/78/1073751978.db2.gz INTPIYLSVFXIBA-JKSUJKDBSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000604208268 1073751968 /nfs/dbraw/zinc/75/19/68/1073751968.db2.gz INTPIYLSVFXIBA-JKSUJKDBSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000604208289 1073751435 /nfs/dbraw/zinc/75/14/35/1073751435.db2.gz JPIOKSGZODQFED-AEFFLSMTSA-N 2 2 415.604 0.658 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000604208289 1073751428 /nfs/dbraw/zinc/75/14/28/1073751428.db2.gz JPIOKSGZODQFED-AEFFLSMTSA-N 2 2 415.604 0.658 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000604208290 1073752898 /nfs/dbraw/zinc/75/28/98/1073752898.db2.gz JPIOKSGZODQFED-FUHWJXTLSA-N 2 2 415.604 0.658 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000604208290 1073752895 /nfs/dbraw/zinc/75/28/95/1073752895.db2.gz JPIOKSGZODQFED-FUHWJXTLSA-N 2 2 415.604 0.658 20 0 HCADLP COc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000604208297 1073753053 /nfs/dbraw/zinc/75/30/53/1073753053.db2.gz FAEDFJFEGYZKIX-INIZCTEOSA-N 2 2 403.531 0.485 20 0 HCADLP COc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000604208297 1073753046 /nfs/dbraw/zinc/75/30/46/1073753046.db2.gz FAEDFJFEGYZKIX-INIZCTEOSA-N 2 2 403.531 0.485 20 0 HCADLP COc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000604208298 1073753346 /nfs/dbraw/zinc/75/33/46/1073753346.db2.gz FAEDFJFEGYZKIX-MRXNPFEDSA-N 2 2 403.531 0.485 20 0 HCADLP COc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000604208298 1073753335 /nfs/dbraw/zinc/75/33/35/1073753335.db2.gz FAEDFJFEGYZKIX-MRXNPFEDSA-N 2 2 403.531 0.485 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)CC1 ZINC000604208331 1073753089 /nfs/dbraw/zinc/75/30/89/1073753089.db2.gz GBSMXFCCRLNSAO-GOSISDBHSA-N 2 2 406.575 0.105 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)CC1 ZINC000604208331 1073753082 /nfs/dbraw/zinc/75/30/82/1073753082.db2.gz GBSMXFCCRLNSAO-GOSISDBHSA-N 2 2 406.575 0.105 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)CC1 ZINC000604208332 1073752853 /nfs/dbraw/zinc/75/28/53/1073752853.db2.gz GBSMXFCCRLNSAO-SFHVURJKSA-N 2 2 406.575 0.105 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)CC1 ZINC000604208332 1073752838 /nfs/dbraw/zinc/75/28/38/1073752838.db2.gz GBSMXFCCRLNSAO-SFHVURJKSA-N 2 2 406.575 0.105 20 0 HCADLP CCCS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208351 1073752630 /nfs/dbraw/zinc/75/26/30/1073752630.db2.gz GVUFSWWZWQLTSY-KRWDZBQOSA-N 2 2 415.604 0.658 20 0 HCADLP CCCS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208351 1073752619 /nfs/dbraw/zinc/75/26/19/1073752619.db2.gz GVUFSWWZWQLTSY-KRWDZBQOSA-N 2 2 415.604 0.658 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000604208597 1073751673 /nfs/dbraw/zinc/75/16/73/1073751673.db2.gz JPIOKSGZODQFED-SJLPKXTDSA-N 2 2 415.604 0.658 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000604208597 1073751665 /nfs/dbraw/zinc/75/16/65/1073751665.db2.gz JPIOKSGZODQFED-SJLPKXTDSA-N 2 2 415.604 0.658 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208647 1073751509 /nfs/dbraw/zinc/75/15/09/1073751509.db2.gz KMKDBYNFQVLEOS-GOSISDBHSA-N 3 2 408.591 0.351 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208647 1073751499 /nfs/dbraw/zinc/75/14/99/1073751499.db2.gz KMKDBYNFQVLEOS-GOSISDBHSA-N 3 2 408.591 0.351 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208658 1073752023 /nfs/dbraw/zinc/75/20/23/1073752023.db2.gz KMKDBYNFQVLEOS-SFHVURJKSA-N 3 2 408.591 0.351 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208658 1073752015 /nfs/dbraw/zinc/75/20/15/1073752015.db2.gz KMKDBYNFQVLEOS-SFHVURJKSA-N 3 2 408.591 0.351 20 0 HCADLP CN(C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1)S(C)(=O)=O ZINC000604208731 1073751931 /nfs/dbraw/zinc/75/19/31/1073751931.db2.gz LXTORDNFHNXDPO-HNNXBMFYSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1)S(C)(=O)=O ZINC000604208731 1073751911 /nfs/dbraw/zinc/75/19/11/1073751911.db2.gz LXTORDNFHNXDPO-HNNXBMFYSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1)S(C)(=O)=O ZINC000604208732 1073751623 /nfs/dbraw/zinc/75/16/23/1073751623.db2.gz LXTORDNFHNXDPO-OAHLLOKOSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1)S(C)(=O)=O ZINC000604208732 1073751615 /nfs/dbraw/zinc/75/16/15/1073751615.db2.gz LXTORDNFHNXDPO-OAHLLOKOSA-N 2 2 401.577 0.220 20 0 HCADLP CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209026 1073751355 /nfs/dbraw/zinc/75/13/55/1073751355.db2.gz OYPWCQBTFMKUBW-INIZCTEOSA-N 2 2 415.604 0.610 20 0 HCADLP CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209026 1073751348 /nfs/dbraw/zinc/75/13/48/1073751348.db2.gz OYPWCQBTFMKUBW-INIZCTEOSA-N 2 2 415.604 0.610 20 0 HCADLP CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209027 1073751868 /nfs/dbraw/zinc/75/18/68/1073751868.db2.gz OYPWCQBTFMKUBW-MRXNPFEDSA-N 2 2 415.604 0.610 20 0 HCADLP CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209027 1073751858 /nfs/dbraw/zinc/75/18/58/1073751858.db2.gz OYPWCQBTFMKUBW-MRXNPFEDSA-N 2 2 415.604 0.610 20 0 HCADLP COCCCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209058 1073751565 /nfs/dbraw/zinc/75/15/65/1073751565.db2.gz PXCNJYLSXNVFFD-GOSISDBHSA-N 2 2 409.575 0.729 20 0 HCADLP COCCCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209058 1073751556 /nfs/dbraw/zinc/75/15/56/1073751556.db2.gz PXCNJYLSXNVFFD-GOSISDBHSA-N 2 2 409.575 0.729 20 0 HCADLP COCCCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209059 1073752221 /nfs/dbraw/zinc/75/22/21/1073752221.db2.gz PXCNJYLSXNVFFD-SFHVURJKSA-N 2 2 409.575 0.729 20 0 HCADLP COCCCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209059 1073752215 /nfs/dbraw/zinc/75/22/15/1073752215.db2.gz PXCNJYLSXNVFFD-SFHVURJKSA-N 2 2 409.575 0.729 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604209085 1073752161 /nfs/dbraw/zinc/75/21/61/1073752161.db2.gz LYTWZSNQZVODRK-GOSISDBHSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604209085 1073752141 /nfs/dbraw/zinc/75/21/41/1073752141.db2.gz LYTWZSNQZVODRK-GOSISDBHSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604209086 1073751733 /nfs/dbraw/zinc/75/17/33/1073751733.db2.gz LYTWZSNQZVODRK-SFHVURJKSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604209086 1073751721 /nfs/dbraw/zinc/75/17/21/1073751721.db2.gz LYTWZSNQZVODRK-SFHVURJKSA-N 2 2 407.559 0.435 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209118 1073751770 /nfs/dbraw/zinc/75/17/70/1073751770.db2.gz NSWFFXVHPDAFFX-GOSISDBHSA-N 3 2 406.575 0.105 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209118 1073751763 /nfs/dbraw/zinc/75/17/63/1073751763.db2.gz NSWFFXVHPDAFFX-GOSISDBHSA-N 3 2 406.575 0.105 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209120 1073751816 /nfs/dbraw/zinc/75/18/16/1073751816.db2.gz NSWFFXVHPDAFFX-SFHVURJKSA-N 3 2 406.575 0.105 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209120 1073751807 /nfs/dbraw/zinc/75/18/07/1073751807.db2.gz NSWFFXVHPDAFFX-SFHVURJKSA-N 3 2 406.575 0.105 20 0 HCADLP CCN(C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1)S(C)(=O)=O ZINC000604209314 1073754760 /nfs/dbraw/zinc/75/47/60/1073754760.db2.gz RMRSPPXAZROUSP-INIZCTEOSA-N 2 2 415.604 0.610 20 0 HCADLP CCN(C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1)S(C)(=O)=O ZINC000604209314 1073754750 /nfs/dbraw/zinc/75/47/50/1073754750.db2.gz RMRSPPXAZROUSP-INIZCTEOSA-N 2 2 415.604 0.610 20 0 HCADLP CCN(C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1)S(C)(=O)=O ZINC000604209315 1073754062 /nfs/dbraw/zinc/75/40/62/1073754062.db2.gz RMRSPPXAZROUSP-MRXNPFEDSA-N 2 2 415.604 0.610 20 0 HCADLP CCN(C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1)S(C)(=O)=O ZINC000604209315 1073754047 /nfs/dbraw/zinc/75/40/47/1073754047.db2.gz RMRSPPXAZROUSP-MRXNPFEDSA-N 2 2 415.604 0.610 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000604209374 1073754355 /nfs/dbraw/zinc/75/43/55/1073754355.db2.gz UNCYKFVQTCFYBM-DOTOQJQBSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000604209374 1073754338 /nfs/dbraw/zinc/75/43/38/1073754338.db2.gz UNCYKFVQTCFYBM-DOTOQJQBSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000604209375 1073754006 /nfs/dbraw/zinc/75/40/06/1073754006.db2.gz UNCYKFVQTCFYBM-NVXWUHKLSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000604209375 1073753997 /nfs/dbraw/zinc/75/39/97/1073753997.db2.gz UNCYKFVQTCFYBM-NVXWUHKLSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000604209376 1073754246 /nfs/dbraw/zinc/75/42/46/1073754246.db2.gz UNCYKFVQTCFYBM-RDJZCZTQSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000604209376 1073754235 /nfs/dbraw/zinc/75/42/35/1073754235.db2.gz UNCYKFVQTCFYBM-RDJZCZTQSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000604209377 1073754610 /nfs/dbraw/zinc/75/46/10/1073754610.db2.gz UNCYKFVQTCFYBM-WBVHZDCISA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000604209377 1073754601 /nfs/dbraw/zinc/75/46/01/1073754601.db2.gz UNCYKFVQTCFYBM-WBVHZDCISA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC000604209415 1073754807 /nfs/dbraw/zinc/75/48/07/1073754807.db2.gz SLPVWCQWITVVTE-AEFFLSMTSA-N 2 2 405.518 0.937 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC000604209415 1073754800 /nfs/dbraw/zinc/75/48/00/1073754800.db2.gz SLPVWCQWITVVTE-AEFFLSMTSA-N 2 2 405.518 0.937 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC000604209416 1073756067 /nfs/dbraw/zinc/75/60/67/1073756067.db2.gz SLPVWCQWITVVTE-FUHWJXTLSA-N 2 2 405.518 0.937 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC000604209416 1073756060 /nfs/dbraw/zinc/75/60/60/1073756060.db2.gz SLPVWCQWITVVTE-FUHWJXTLSA-N 2 2 405.518 0.937 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC000604209417 1073755543 /nfs/dbraw/zinc/75/55/43/1073755543.db2.gz SLPVWCQWITVVTE-SJLPKXTDSA-N 2 2 405.518 0.937 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC000604209417 1073755527 /nfs/dbraw/zinc/75/55/27/1073755527.db2.gz SLPVWCQWITVVTE-SJLPKXTDSA-N 2 2 405.518 0.937 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC000604209418 1073755865 /nfs/dbraw/zinc/75/58/65/1073755865.db2.gz SLPVWCQWITVVTE-WMZOPIPTSA-N 2 2 405.518 0.937 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC000604209418 1073755853 /nfs/dbraw/zinc/75/58/53/1073755853.db2.gz SLPVWCQWITVVTE-WMZOPIPTSA-N 2 2 405.518 0.937 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000604209784 1073754112 /nfs/dbraw/zinc/75/41/12/1073754112.db2.gz RHMURPZBGMGSBE-DOTOQJQBSA-N 2 2 420.510 0.623 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000604209784 1073754104 /nfs/dbraw/zinc/75/41/04/1073754104.db2.gz RHMURPZBGMGSBE-DOTOQJQBSA-N 2 2 420.510 0.623 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000604209785 1073754868 /nfs/dbraw/zinc/75/48/68/1073754868.db2.gz RHMURPZBGMGSBE-NVXWUHKLSA-N 2 2 420.510 0.623 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000604209785 1073754852 /nfs/dbraw/zinc/75/48/52/1073754852.db2.gz RHMURPZBGMGSBE-NVXWUHKLSA-N 2 2 420.510 0.623 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000604209786 1073754418 /nfs/dbraw/zinc/75/44/18/1073754418.db2.gz RHMURPZBGMGSBE-RDJZCZTQSA-N 2 2 420.510 0.623 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000604209786 1073754404 /nfs/dbraw/zinc/75/44/04/1073754404.db2.gz RHMURPZBGMGSBE-RDJZCZTQSA-N 2 2 420.510 0.623 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000604209787 1073753880 /nfs/dbraw/zinc/75/38/80/1073753880.db2.gz RHMURPZBGMGSBE-WBVHZDCISA-N 2 2 420.510 0.623 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000604209787 1073753871 /nfs/dbraw/zinc/75/38/71/1073753871.db2.gz RHMURPZBGMGSBE-WBVHZDCISA-N 2 2 420.510 0.623 20 0 HCADLP CCS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209846 1073754485 /nfs/dbraw/zinc/75/44/85/1073754485.db2.gz SRKQYMSXPPYVBQ-INIZCTEOSA-N 2 2 401.577 0.268 20 0 HCADLP CCS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209846 1073754475 /nfs/dbraw/zinc/75/44/75/1073754475.db2.gz SRKQYMSXPPYVBQ-INIZCTEOSA-N 2 2 401.577 0.268 20 0 HCADLP CCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209847 1073753944 /nfs/dbraw/zinc/75/39/44/1073753944.db2.gz SRKQYMSXPPYVBQ-MRXNPFEDSA-N 2 2 401.577 0.268 20 0 HCADLP CCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209847 1073753937 /nfs/dbraw/zinc/75/39/37/1073753937.db2.gz SRKQYMSXPPYVBQ-MRXNPFEDSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209966 1073753492 /nfs/dbraw/zinc/75/34/92/1073753492.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209966 1073753483 /nfs/dbraw/zinc/75/34/83/1073753483.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209966 1073753473 /nfs/dbraw/zinc/75/34/73/1073753473.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209966 1073753465 /nfs/dbraw/zinc/75/34/65/1073753465.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209967 1073753020 /nfs/dbraw/zinc/75/30/20/1073753020.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209967 1073753013 /nfs/dbraw/zinc/75/30/13/1073753013.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209967 1073753008 /nfs/dbraw/zinc/75/30/08/1073753008.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209967 1073752994 /nfs/dbraw/zinc/75/29/94/1073752994.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209968 1073753218 /nfs/dbraw/zinc/75/32/18/1073753218.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209968 1073753211 /nfs/dbraw/zinc/75/32/11/1073753211.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209968 1073753197 /nfs/dbraw/zinc/75/31/97/1073753197.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209968 1073753187 /nfs/dbraw/zinc/75/31/87/1073753187.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000604209969 1073752764 /nfs/dbraw/zinc/75/27/64/1073752764.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000604209969 1073752751 /nfs/dbraw/zinc/75/27/51/1073752751.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209969 1073752737 /nfs/dbraw/zinc/75/27/37/1073752737.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209969 1073752722 /nfs/dbraw/zinc/75/27/22/1073752722.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 3 2 406.619 0.966 20 0 HCADLP CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210070 1073753545 /nfs/dbraw/zinc/75/35/45/1073753545.db2.gz UVYDGKWKUONYNT-MSOLQXFVSA-N 2 2 408.591 0.397 20 0 HCADLP CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210070 1073753538 /nfs/dbraw/zinc/75/35/38/1073753538.db2.gz UVYDGKWKUONYNT-MSOLQXFVSA-N 2 2 408.591 0.397 20 0 HCADLP CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210071 1073752934 /nfs/dbraw/zinc/75/29/34/1073752934.db2.gz UVYDGKWKUONYNT-QZTJIDSGSA-N 2 2 408.591 0.397 20 0 HCADLP CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210071 1073752926 /nfs/dbraw/zinc/75/29/26/1073752926.db2.gz UVYDGKWKUONYNT-QZTJIDSGSA-N 2 2 408.591 0.397 20 0 HCADLP CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210072 1073752519 /nfs/dbraw/zinc/75/25/19/1073752519.db2.gz UVYDGKWKUONYNT-ROUUACIJSA-N 2 2 408.591 0.397 20 0 HCADLP CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210072 1073752511 /nfs/dbraw/zinc/75/25/11/1073752511.db2.gz UVYDGKWKUONYNT-ROUUACIJSA-N 2 2 408.591 0.397 20 0 HCADLP CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210073 1073753280 /nfs/dbraw/zinc/75/32/80/1073753280.db2.gz UVYDGKWKUONYNT-ZWKOTPCHSA-N 2 2 408.591 0.397 20 0 HCADLP CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210073 1073753268 /nfs/dbraw/zinc/75/32/68/1073753268.db2.gz UVYDGKWKUONYNT-ZWKOTPCHSA-N 2 2 408.591 0.397 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000604210210 1073755646 /nfs/dbraw/zinc/75/56/46/1073755646.db2.gz ZFHBGYCYLHWAEQ-KRWDZBQOSA-N 2 2 400.527 0.718 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000604210210 1073755627 /nfs/dbraw/zinc/75/56/27/1073755627.db2.gz ZFHBGYCYLHWAEQ-KRWDZBQOSA-N 2 2 400.527 0.718 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000604210211 1073755946 /nfs/dbraw/zinc/75/59/46/1073755946.db2.gz ZFHBGYCYLHWAEQ-QGZVFWFLSA-N 2 2 400.527 0.718 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000604210211 1073755939 /nfs/dbraw/zinc/75/59/39/1073755939.db2.gz ZFHBGYCYLHWAEQ-QGZVFWFLSA-N 2 2 400.527 0.718 20 0 HCADLP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604210222 1073755743 /nfs/dbraw/zinc/75/57/43/1073755743.db2.gz ZUEGDFKGRLPALN-KSZLIROESA-N 2 2 409.575 0.728 20 0 HCADLP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604210222 1073755724 /nfs/dbraw/zinc/75/57/24/1073755724.db2.gz ZUEGDFKGRLPALN-KSZLIROESA-N 2 2 409.575 0.728 20 0 HCADLP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604210223 1073756005 /nfs/dbraw/zinc/75/60/05/1073756005.db2.gz ZUEGDFKGRLPALN-KURKYZTESA-N 2 2 409.575 0.728 20 0 HCADLP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604210223 1073755996 /nfs/dbraw/zinc/75/59/96/1073755996.db2.gz ZUEGDFKGRLPALN-KURKYZTESA-N 2 2 409.575 0.728 20 0 HCADLP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604210224 1073756126 /nfs/dbraw/zinc/75/61/26/1073756126.db2.gz ZUEGDFKGRLPALN-KZNAEPCWSA-N 2 2 409.575 0.728 20 0 HCADLP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604210224 1073756120 /nfs/dbraw/zinc/75/61/20/1073756120.db2.gz ZUEGDFKGRLPALN-KZNAEPCWSA-N 2 2 409.575 0.728 20 0 HCADLP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604210225 1073755351 /nfs/dbraw/zinc/75/53/51/1073755351.db2.gz ZUEGDFKGRLPALN-RCCFBDPRSA-N 2 2 409.575 0.728 20 0 HCADLP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604210225 1073755333 /nfs/dbraw/zinc/75/53/33/1073755333.db2.gz ZUEGDFKGRLPALN-RCCFBDPRSA-N 2 2 409.575 0.728 20 0 HCADLP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375594 1073800321 /nfs/dbraw/zinc/80/03/21/1073800321.db2.gz AYLQGVKNYHEIBO-FCHUYYIVSA-N 2 2 415.582 0.498 20 0 HCADLP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375594 1073800317 /nfs/dbraw/zinc/80/03/17/1073800317.db2.gz AYLQGVKNYHEIBO-FCHUYYIVSA-N 2 2 415.582 0.498 20 0 HCADLP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375595 1073800210 /nfs/dbraw/zinc/80/02/10/1073800210.db2.gz AYLQGVKNYHEIBO-FGZHOGPDSA-N 2 2 415.582 0.498 20 0 HCADLP C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375595 1073800207 /nfs/dbraw/zinc/80/02/07/1073800207.db2.gz AYLQGVKNYHEIBO-FGZHOGPDSA-N 2 2 415.582 0.498 20 0 HCADLP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375596 1073800263 /nfs/dbraw/zinc/80/02/63/1073800263.db2.gz AYLQGVKNYHEIBO-VXKWHMMOSA-N 2 2 415.582 0.498 20 0 HCADLP C[NH+]1CCN([C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375596 1073800256 /nfs/dbraw/zinc/80/02/56/1073800256.db2.gz AYLQGVKNYHEIBO-VXKWHMMOSA-N 2 2 415.582 0.498 20 0 HCADLP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375597 1073800389 /nfs/dbraw/zinc/80/03/89/1073800389.db2.gz AYLQGVKNYHEIBO-YADHBBJMSA-N 2 2 415.582 0.498 20 0 HCADLP C[NH+]1CCN([C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc2)CC1 ZINC000604375597 1073800388 /nfs/dbraw/zinc/80/03/88/1073800388.db2.gz AYLQGVKNYHEIBO-YADHBBJMSA-N 2 2 415.582 0.498 20 0 HCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000604384266 1073801825 /nfs/dbraw/zinc/80/18/25/1073801825.db2.gz OOACDSUODTYJOL-FCHUYYIVSA-N 2 2 416.566 0.870 20 0 HCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)cc1 ZINC000604384268 1073801890 /nfs/dbraw/zinc/80/18/90/1073801890.db2.gz OOACDSUODTYJOL-FGZHOGPDSA-N 2 2 416.566 0.870 20 0 HCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)cc1 ZINC000604384270 1073801962 /nfs/dbraw/zinc/80/19/62/1073801962.db2.gz OOACDSUODTYJOL-VXKWHMMOSA-N 2 2 416.566 0.870 20 0 HCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388824 1073803447 /nfs/dbraw/zinc/80/34/47/1073803447.db2.gz FEIQWRCOKSQHRI-MOPGFXCFSA-N 2 2 417.554 0.664 20 0 HCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388824 1073803444 /nfs/dbraw/zinc/80/34/44/1073803444.db2.gz FEIQWRCOKSQHRI-MOPGFXCFSA-N 2 2 417.554 0.664 20 0 HCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388825 1073803599 /nfs/dbraw/zinc/80/35/99/1073803599.db2.gz FEIQWRCOKSQHRI-OALUTQOASA-N 2 2 417.554 0.664 20 0 HCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388825 1073803597 /nfs/dbraw/zinc/80/35/97/1073803597.db2.gz FEIQWRCOKSQHRI-OALUTQOASA-N 2 2 417.554 0.664 20 0 HCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388826 1073803631 /nfs/dbraw/zinc/80/36/31/1073803631.db2.gz FEIQWRCOKSQHRI-RBUKOAKNSA-N 2 2 417.554 0.664 20 0 HCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388826 1073803630 /nfs/dbraw/zinc/80/36/30/1073803630.db2.gz FEIQWRCOKSQHRI-RBUKOAKNSA-N 2 2 417.554 0.664 20 0 HCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388827 1073803511 /nfs/dbraw/zinc/80/35/11/1073803511.db2.gz FEIQWRCOKSQHRI-RTBURBONSA-N 2 2 417.554 0.664 20 0 HCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388827 1073803509 /nfs/dbraw/zinc/80/35/09/1073803509.db2.gz FEIQWRCOKSQHRI-RTBURBONSA-N 2 2 417.554 0.664 20 0 HCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000604393359 1073804302 /nfs/dbraw/zinc/80/43/02/1073804302.db2.gz SIZFFXUHDHLKMN-FQEVSTJZSA-N 2 2 416.566 0.979 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000604393359 1073804301 /nfs/dbraw/zinc/80/43/01/1073804301.db2.gz SIZFFXUHDHLKMN-FQEVSTJZSA-N 2 2 416.566 0.979 20 0 HCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000604393361 1073804800 /nfs/dbraw/zinc/80/48/00/1073804800.db2.gz SIZFFXUHDHLKMN-HXUWFJFHSA-N 2 2 416.566 0.979 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000604393361 1073804796 /nfs/dbraw/zinc/80/47/96/1073804796.db2.gz SIZFFXUHDHLKMN-HXUWFJFHSA-N 2 2 416.566 0.979 20 0 HCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000604588309 1073819290 /nfs/dbraw/zinc/81/92/90/1073819290.db2.gz CTPBTWZNRSUOOW-GOSISDBHSA-N 2 2 405.547 0.204 20 0 HCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000604588309 1073819289 /nfs/dbraw/zinc/81/92/89/1073819289.db2.gz CTPBTWZNRSUOOW-GOSISDBHSA-N 2 2 405.547 0.204 20 0 HCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000604588310 1073819312 /nfs/dbraw/zinc/81/93/12/1073819312.db2.gz CTPBTWZNRSUOOW-SFHVURJKSA-N 2 2 405.547 0.204 20 0 HCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000604588310 1073819311 /nfs/dbraw/zinc/81/93/11/1073819311.db2.gz CTPBTWZNRSUOOW-SFHVURJKSA-N 2 2 405.547 0.204 20 0 HCADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000604606318 1073820688 /nfs/dbraw/zinc/82/06/88/1073820688.db2.gz OYTCVHDUSCPHDN-JOCHJYFZSA-N 2 2 415.582 0.570 20 0 HCADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000604606318 1073820683 /nfs/dbraw/zinc/82/06/83/1073820683.db2.gz OYTCVHDUSCPHDN-JOCHJYFZSA-N 2 2 415.582 0.570 20 0 HCADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000604606319 1073821052 /nfs/dbraw/zinc/82/10/52/1073821052.db2.gz OYTCVHDUSCPHDN-QFIPXVFZSA-N 2 2 415.582 0.570 20 0 HCADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000604606319 1073821051 /nfs/dbraw/zinc/82/10/51/1073821051.db2.gz OYTCVHDUSCPHDN-QFIPXVFZSA-N 2 2 415.582 0.570 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000604606378 1073821097 /nfs/dbraw/zinc/82/10/97/1073821097.db2.gz UDIFYZSMSSHTGX-IFMALSPDSA-N 2 2 416.566 0.707 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000604606378 1073821096 /nfs/dbraw/zinc/82/10/96/1073821096.db2.gz UDIFYZSMSSHTGX-IFMALSPDSA-N 2 2 416.566 0.707 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000604606379 1073820969 /nfs/dbraw/zinc/82/09/69/1073820969.db2.gz UDIFYZSMSSHTGX-IRLDBZIGSA-N 2 2 416.566 0.707 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000604606379 1073820966 /nfs/dbraw/zinc/82/09/66/1073820966.db2.gz UDIFYZSMSSHTGX-IRLDBZIGSA-N 2 2 416.566 0.707 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000604606380 1073821068 /nfs/dbraw/zinc/82/10/68/1073821068.db2.gz UDIFYZSMSSHTGX-RBBKRZOGSA-N 2 2 416.566 0.707 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000604606380 1073821067 /nfs/dbraw/zinc/82/10/67/1073821067.db2.gz UDIFYZSMSSHTGX-RBBKRZOGSA-N 2 2 416.566 0.707 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000604606381 1073821166 /nfs/dbraw/zinc/82/11/66/1073821166.db2.gz UDIFYZSMSSHTGX-UNMCSNQZSA-N 2 2 416.566 0.707 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000604606381 1073821163 /nfs/dbraw/zinc/82/11/63/1073821163.db2.gz UDIFYZSMSSHTGX-UNMCSNQZSA-N 2 2 416.566 0.707 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000604640297 1073825485 /nfs/dbraw/zinc/82/54/85/1073825485.db2.gz XZMOXTGRAUKHNS-IBGZPJMESA-N 2 2 402.543 0.756 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000604640297 1073825484 /nfs/dbraw/zinc/82/54/84/1073825484.db2.gz XZMOXTGRAUKHNS-IBGZPJMESA-N 2 2 402.543 0.756 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000604640298 1073825533 /nfs/dbraw/zinc/82/55/33/1073825533.db2.gz XZMOXTGRAUKHNS-LJQANCHMSA-N 2 2 402.543 0.756 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000604640298 1073825532 /nfs/dbraw/zinc/82/55/32/1073825532.db2.gz XZMOXTGRAUKHNS-LJQANCHMSA-N 2 2 402.543 0.756 20 0 HCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)C1 ZINC000604644074 1073839469 /nfs/dbraw/zinc/83/94/69/1073839469.db2.gz RBGDDPCXEWTICX-AZUAARDMSA-N 2 2 411.616 0.616 20 0 HCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)C1 ZINC000604644074 1073839465 /nfs/dbraw/zinc/83/94/65/1073839465.db2.gz RBGDDPCXEWTICX-AZUAARDMSA-N 2 2 411.616 0.616 20 0 HCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)C1 ZINC000604644075 1073839336 /nfs/dbraw/zinc/83/93/36/1073839336.db2.gz RBGDDPCXEWTICX-ICSRJNTNSA-N 2 2 411.616 0.616 20 0 HCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)C1 ZINC000604644075 1073839333 /nfs/dbraw/zinc/83/93/33/1073839333.db2.gz RBGDDPCXEWTICX-ICSRJNTNSA-N 2 2 411.616 0.616 20 0 HCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)C1 ZINC000604644076 1073839398 /nfs/dbraw/zinc/83/93/98/1073839398.db2.gz RBGDDPCXEWTICX-QUCCMNQESA-N 2 2 411.616 0.616 20 0 HCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)C1 ZINC000604644076 1073839395 /nfs/dbraw/zinc/83/93/95/1073839395.db2.gz RBGDDPCXEWTICX-QUCCMNQESA-N 2 2 411.616 0.616 20 0 HCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)C1 ZINC000604644077 1073839584 /nfs/dbraw/zinc/83/95/84/1073839584.db2.gz RBGDDPCXEWTICX-UYAOXDASSA-N 2 2 411.616 0.616 20 0 HCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)C1 ZINC000604644077 1073839583 /nfs/dbraw/zinc/83/95/83/1073839583.db2.gz RBGDDPCXEWTICX-UYAOXDASSA-N 2 2 411.616 0.616 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)CC1 ZINC000604648112 1073841164 /nfs/dbraw/zinc/84/11/64/1073841164.db2.gz RWTUYBPTNCPFCE-NRFANRHFSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)CC1 ZINC000604648112 1073841156 /nfs/dbraw/zinc/84/11/56/1073841156.db2.gz RWTUYBPTNCPFCE-NRFANRHFSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)CC1 ZINC000604648113 1073841238 /nfs/dbraw/zinc/84/12/38/1073841238.db2.gz RWTUYBPTNCPFCE-OAQYLSRUSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)CC1 ZINC000604648113 1073841236 /nfs/dbraw/zinc/84/12/36/1073841236.db2.gz RWTUYBPTNCPFCE-OAQYLSRUSA-N 3 2 406.619 0.966 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604648138 1073841262 /nfs/dbraw/zinc/84/12/62/1073841262.db2.gz VPMUOQQOFIQOGH-FQEVSTJZSA-N 3 2 422.618 0.251 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604648138 1073841259 /nfs/dbraw/zinc/84/12/59/1073841259.db2.gz VPMUOQQOFIQOGH-FQEVSTJZSA-N 3 2 422.618 0.251 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604648139 1073841120 /nfs/dbraw/zinc/84/11/20/1073841120.db2.gz VPMUOQQOFIQOGH-HXUWFJFHSA-N 3 2 422.618 0.251 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604648139 1073841118 /nfs/dbraw/zinc/84/11/18/1073841118.db2.gz VPMUOQQOFIQOGH-HXUWFJFHSA-N 3 2 422.618 0.251 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604659513 1073829771 /nfs/dbraw/zinc/82/97/71/1073829771.db2.gz OHXKXPOBZVZVTI-UHFFFAOYSA-N 2 2 415.535 0.641 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604659513 1073829767 /nfs/dbraw/zinc/82/97/67/1073829767.db2.gz OHXKXPOBZVZVTI-UHFFFAOYSA-N 2 2 415.535 0.641 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)CC1 ZINC000604659670 1073830251 /nfs/dbraw/zinc/83/02/51/1073830251.db2.gz UDGOYRRNFBCSNX-AWEZNQCLSA-N 2 2 413.519 0.441 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)CC1 ZINC000604659670 1073830250 /nfs/dbraw/zinc/83/02/50/1073830250.db2.gz UDGOYRRNFBCSNX-AWEZNQCLSA-N 2 2 413.519 0.441 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)CC1 ZINC000604659671 1073830356 /nfs/dbraw/zinc/83/03/56/1073830356.db2.gz UDGOYRRNFBCSNX-CQSZACIVSA-N 2 2 413.519 0.441 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(S(N)(=O)=O)ccc3F)C2)CC1 ZINC000604659671 1073830353 /nfs/dbraw/zinc/83/03/53/1073830353.db2.gz UDGOYRRNFBCSNX-CQSZACIVSA-N 2 2 413.519 0.441 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000604667492 1073831244 /nfs/dbraw/zinc/83/12/44/1073831244.db2.gz ASRSSHUSXHOXDC-IBGZPJMESA-N 2 2 407.584 0.982 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000604667492 1073831237 /nfs/dbraw/zinc/83/12/37/1073831237.db2.gz ASRSSHUSXHOXDC-IBGZPJMESA-N 2 2 407.584 0.982 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000604667493 1073831399 /nfs/dbraw/zinc/83/13/99/1073831399.db2.gz ASRSSHUSXHOXDC-LJQANCHMSA-N 2 2 407.584 0.982 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000604667493 1073831398 /nfs/dbraw/zinc/83/13/98/1073831398.db2.gz ASRSSHUSXHOXDC-LJQANCHMSA-N 2 2 407.584 0.982 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000604668829 1073835664 /nfs/dbraw/zinc/83/56/64/1073835664.db2.gz MBBMFMYCYCLONO-GOSISDBHSA-N 2 2 407.584 0.982 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000604668829 1073835658 /nfs/dbraw/zinc/83/56/58/1073835658.db2.gz MBBMFMYCYCLONO-GOSISDBHSA-N 2 2 407.584 0.982 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000604668830 1073835640 /nfs/dbraw/zinc/83/56/40/1073835640.db2.gz MBBMFMYCYCLONO-SFHVURJKSA-N 2 2 407.584 0.982 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000604668830 1073835637 /nfs/dbraw/zinc/83/56/37/1073835637.db2.gz MBBMFMYCYCLONO-SFHVURJKSA-N 2 2 407.584 0.982 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000604669172 1073834960 /nfs/dbraw/zinc/83/49/60/1073834960.db2.gz VSMLREFQKASWNS-NRFANRHFSA-N 2 2 401.555 0.920 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000604669172 1073834953 /nfs/dbraw/zinc/83/49/53/1073834953.db2.gz VSMLREFQKASWNS-NRFANRHFSA-N 2 2 401.555 0.920 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000604669173 1073835100 /nfs/dbraw/zinc/83/51/00/1073835100.db2.gz VSMLREFQKASWNS-OAQYLSRUSA-N 2 2 401.555 0.920 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000604669173 1073835097 /nfs/dbraw/zinc/83/50/97/1073835097.db2.gz VSMLREFQKASWNS-OAQYLSRUSA-N 2 2 401.555 0.920 20 0 HCADLP CN(C(=O)CNC(=O)C1CCCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000604865302 1073861197 /nfs/dbraw/zinc/86/11/97/1073861197.db2.gz WMLPFZNNYJEUIM-UHFFFAOYSA-N 2 2 421.586 0.380 20 0 HCADLP CN(C(=O)CNC(=O)c1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000604976994 1073876270 /nfs/dbraw/zinc/87/62/70/1073876270.db2.gz PUBPYPFDEDURJV-UHFFFAOYSA-N 2 2 415.538 0.113 20 0 HCADLP C[C@H](Oc1cccnc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000605127202 1073884737 /nfs/dbraw/zinc/88/47/37/1073884737.db2.gz FXAUQSFSIPFBGI-KRWDZBQOSA-N 2 2 403.527 0.546 20 0 HCADLP C[C@@H](Oc1cccnc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000605127203 1073884845 /nfs/dbraw/zinc/88/48/45/1073884845.db2.gz FXAUQSFSIPFBGI-QGZVFWFLSA-N 2 2 403.527 0.546 20 0 HCADLP Cn1cc(N2CC[C@@H](NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2=O)cn1 ZINC000605174236 1073896661 /nfs/dbraw/zinc/89/66/61/1073896661.db2.gz RCMMZHGWYAKJIZ-GOSISDBHSA-N 2 2 403.531 0.383 20 0 HCADLP Cn1cc(N2CC[C@H](NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2=O)cn1 ZINC000605174237 1073896522 /nfs/dbraw/zinc/89/65/22/1073896522.db2.gz RCMMZHGWYAKJIZ-SFHVURJKSA-N 2 2 403.531 0.383 20 0 HCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605176685 1073897510 /nfs/dbraw/zinc/89/75/10/1073897510.db2.gz PAUHTQMQCPUOPG-MOPGFXCFSA-N 2 2 403.575 0.527 20 0 HCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605176686 1073897575 /nfs/dbraw/zinc/89/75/75/1073897575.db2.gz PAUHTQMQCPUOPG-OALUTQOASA-N 2 2 403.575 0.527 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000605176687 1073897645 /nfs/dbraw/zinc/89/76/45/1073897645.db2.gz PAUHTQMQCPUOPG-RBUKOAKNSA-N 2 2 403.575 0.527 20 0 HCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605176688 1073897523 /nfs/dbraw/zinc/89/75/23/1073897523.db2.gz PAUHTQMQCPUOPG-RTBURBONSA-N 2 2 403.575 0.527 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000605176726 1073897050 /nfs/dbraw/zinc/89/70/50/1073897050.db2.gz QGIZLEULCKJHMC-MSOLQXFVSA-N 2 2 417.558 0.231 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000605176726 1073897048 /nfs/dbraw/zinc/89/70/48/1073897048.db2.gz QGIZLEULCKJHMC-MSOLQXFVSA-N 2 2 417.558 0.231 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000605176727 1073897117 /nfs/dbraw/zinc/89/71/17/1073897117.db2.gz QGIZLEULCKJHMC-QZTJIDSGSA-N 2 2 417.558 0.231 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000605176727 1073897114 /nfs/dbraw/zinc/89/71/14/1073897114.db2.gz QGIZLEULCKJHMC-QZTJIDSGSA-N 2 2 417.558 0.231 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000605176728 1073897010 /nfs/dbraw/zinc/89/70/10/1073897010.db2.gz QGIZLEULCKJHMC-ROUUACIJSA-N 2 2 417.558 0.231 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000605176728 1073897007 /nfs/dbraw/zinc/89/70/07/1073897007.db2.gz QGIZLEULCKJHMC-ROUUACIJSA-N 2 2 417.558 0.231 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000605176729 1073897103 /nfs/dbraw/zinc/89/71/03/1073897103.db2.gz QGIZLEULCKJHMC-ZWKOTPCHSA-N 2 2 417.558 0.231 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000605176729 1073897098 /nfs/dbraw/zinc/89/70/98/1073897098.db2.gz QGIZLEULCKJHMC-ZWKOTPCHSA-N 2 2 417.558 0.231 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605177492 1073898131 /nfs/dbraw/zinc/89/81/31/1073898131.db2.gz PNTSAFNIGUBPDD-KRWDZBQOSA-N 2 2 417.558 0.102 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605177493 1073897952 /nfs/dbraw/zinc/89/79/52/1073897952.db2.gz PNTSAFNIGUBPDD-QGZVFWFLSA-N 2 2 417.558 0.102 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000605218022 1073905567 /nfs/dbraw/zinc/90/55/67/1073905567.db2.gz ZMXVNVGSUNZNHA-IBGZPJMESA-N 2 2 417.602 0.917 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000605218023 1073905478 /nfs/dbraw/zinc/90/54/78/1073905478.db2.gz ZMXVNVGSUNZNHA-LJQANCHMSA-N 2 2 417.602 0.917 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000605218658 1073906400 /nfs/dbraw/zinc/90/64/00/1073906400.db2.gz JPYWXASJMJDVEG-GOSISDBHSA-N 2 2 417.558 0.055 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000605218659 1073906126 /nfs/dbraw/zinc/90/61/26/1073906126.db2.gz JPYWXASJMJDVEG-SFHVURJKSA-N 2 2 417.558 0.055 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229461 1073937399 /nfs/dbraw/zinc/93/73/99/1073937399.db2.gz BTDBPPYAQOGHNZ-GOSISDBHSA-N 2 2 414.554 0.786 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229461 1073937391 /nfs/dbraw/zinc/93/73/91/1073937391.db2.gz BTDBPPYAQOGHNZ-GOSISDBHSA-N 2 2 414.554 0.786 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229462 1073937253 /nfs/dbraw/zinc/93/72/53/1073937253.db2.gz BTDBPPYAQOGHNZ-SFHVURJKSA-N 2 2 414.554 0.786 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229462 1073937247 /nfs/dbraw/zinc/93/72/47/1073937247.db2.gz BTDBPPYAQOGHNZ-SFHVURJKSA-N 2 2 414.554 0.786 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000605233693 1073941005 /nfs/dbraw/zinc/94/10/05/1073941005.db2.gz WLYVWGKCRBNQJT-AABGKKOBSA-N 2 2 416.570 0.833 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000605233694 1073941155 /nfs/dbraw/zinc/94/11/55/1073941155.db2.gz WLYVWGKCRBNQJT-AQNXPRMDSA-N 2 2 416.570 0.833 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000605233695 1073941394 /nfs/dbraw/zinc/94/13/94/1073941394.db2.gz WLYVWGKCRBNQJT-HSALFYBXSA-N 2 2 416.570 0.833 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000605233696 1073941204 /nfs/dbraw/zinc/94/12/04/1073941204.db2.gz WLYVWGKCRBNQJT-VAMGGRTRSA-N 2 2 416.570 0.833 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605240398 1073914247 /nfs/dbraw/zinc/91/42/47/1073914247.db2.gz UDBSFMXMOHEQTK-MRXNPFEDSA-N 2 2 401.511 0.613 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605240398 1073914232 /nfs/dbraw/zinc/91/42/32/1073914232.db2.gz UDBSFMXMOHEQTK-MRXNPFEDSA-N 2 2 401.511 0.613 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605240413 1073914327 /nfs/dbraw/zinc/91/43/27/1073914327.db2.gz WIBJWOABXDXQEW-GOSISDBHSA-N 2 2 401.511 0.613 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605240413 1073914316 /nfs/dbraw/zinc/91/43/16/1073914316.db2.gz WIBJWOABXDXQEW-GOSISDBHSA-N 2 2 401.511 0.613 20 0 HCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605240414 1073914145 /nfs/dbraw/zinc/91/41/45/1073914145.db2.gz WIBJWOABXDXQEW-SFHVURJKSA-N 2 2 401.511 0.613 20 0 HCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605240414 1073914138 /nfs/dbraw/zinc/91/41/38/1073914138.db2.gz WIBJWOABXDXQEW-SFHVURJKSA-N 2 2 401.511 0.613 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000605240597 1073914386 /nfs/dbraw/zinc/91/43/86/1073914386.db2.gz PXRDTKCFYCVMPG-UHFFFAOYSA-N 2 2 417.510 0.233 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000605242077 1073915109 /nfs/dbraw/zinc/91/51/09/1073915109.db2.gz HJNJNWASKFEJGT-GOSISDBHSA-N 2 2 401.511 0.469 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000605242078 1073915319 /nfs/dbraw/zinc/91/53/19/1073915319.db2.gz HJNJNWASKFEJGT-SFHVURJKSA-N 2 2 401.511 0.469 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000605243572 1073918566 /nfs/dbraw/zinc/91/85/66/1073918566.db2.gz BEOPPPQGAYOWBY-UHFFFAOYSA-N 2 2 417.510 0.232 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000605243572 1073918559 /nfs/dbraw/zinc/91/85/59/1073918559.db2.gz BEOPPPQGAYOWBY-UHFFFAOYSA-N 2 2 417.510 0.232 20 0 HCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605245463 1073920103 /nfs/dbraw/zinc/92/01/03/1073920103.db2.gz RSKGXULGERIBGO-UHFFFAOYSA-N 2 2 403.527 0.861 20 0 HCADLP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605245463 1073920097 /nfs/dbraw/zinc/92/00/97/1073920097.db2.gz RSKGXULGERIBGO-UHFFFAOYSA-N 2 2 403.527 0.861 20 0 HCADLP COCC[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000605246421 1073921775 /nfs/dbraw/zinc/92/17/75/1073921775.db2.gz GIGVIKFKOLYXRF-CALCHBBNSA-N 2 2 406.527 0.929 20 0 HCADLP COCC[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000605246421 1073921762 /nfs/dbraw/zinc/92/17/62/1073921762.db2.gz GIGVIKFKOLYXRF-CALCHBBNSA-N 2 2 406.527 0.929 20 0 HCADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000605246421 1073921755 /nfs/dbraw/zinc/92/17/55/1073921755.db2.gz GIGVIKFKOLYXRF-CALCHBBNSA-N 2 2 406.527 0.929 20 0 HCADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000605246421 1073921743 /nfs/dbraw/zinc/92/17/43/1073921743.db2.gz GIGVIKFKOLYXRF-CALCHBBNSA-N 2 2 406.527 0.929 20 0 HCADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000605246422 1073921583 /nfs/dbraw/zinc/92/15/83/1073921583.db2.gz GIGVIKFKOLYXRF-IAGOWNOFSA-N 2 2 406.527 0.929 20 0 HCADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000605246422 1073921572 /nfs/dbraw/zinc/92/15/72/1073921572.db2.gz GIGVIKFKOLYXRF-IAGOWNOFSA-N 2 2 406.527 0.929 20 0 HCADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000605246423 1073921826 /nfs/dbraw/zinc/92/18/26/1073921826.db2.gz GIGVIKFKOLYXRF-IRXDYDNUSA-N 2 2 406.527 0.929 20 0 HCADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000605246423 1073921815 /nfs/dbraw/zinc/92/18/15/1073921815.db2.gz GIGVIKFKOLYXRF-IRXDYDNUSA-N 2 2 406.527 0.929 20 0 HCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605246897 1073920866 /nfs/dbraw/zinc/92/08/66/1073920866.db2.gz YENHMVFHOTYQGQ-INIZCTEOSA-N 2 2 403.527 0.859 20 0 HCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605246897 1073920857 /nfs/dbraw/zinc/92/08/57/1073920857.db2.gz YENHMVFHOTYQGQ-INIZCTEOSA-N 2 2 403.527 0.859 20 0 HCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605246898 1073920971 /nfs/dbraw/zinc/92/09/71/1073920971.db2.gz YENHMVFHOTYQGQ-MRXNPFEDSA-N 2 2 403.527 0.859 20 0 HCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605246898 1073920962 /nfs/dbraw/zinc/92/09/62/1073920962.db2.gz YENHMVFHOTYQGQ-MRXNPFEDSA-N 2 2 403.527 0.859 20 0 HCADLP CC[N@@H+](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000605247430 1073923681 /nfs/dbraw/zinc/92/36/81/1073923681.db2.gz PIDKMPGLKREKKD-UHFFFAOYSA-N 2 2 401.511 0.613 20 0 HCADLP CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000605247430 1073923676 /nfs/dbraw/zinc/92/36/76/1073923676.db2.gz PIDKMPGLKREKKD-UHFFFAOYSA-N 2 2 401.511 0.613 20 0 HCADLP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000605249836 1073926229 /nfs/dbraw/zinc/92/62/29/1073926229.db2.gz QYSBDQRCQXGNGE-HNNXBMFYSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000605249836 1073926217 /nfs/dbraw/zinc/92/62/17/1073926217.db2.gz QYSBDQRCQXGNGE-HNNXBMFYSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000605249837 1073926571 /nfs/dbraw/zinc/92/65/71/1073926571.db2.gz QYSBDQRCQXGNGE-OAHLLOKOSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000605249837 1073926564 /nfs/dbraw/zinc/92/65/64/1073926564.db2.gz QYSBDQRCQXGNGE-OAHLLOKOSA-N 2 2 401.511 0.612 20 0 HCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605378814 1073968325 /nfs/dbraw/zinc/96/83/25/1073968325.db2.gz QWAGNMGBTFSISL-NRFANRHFSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605378815 1073968153 /nfs/dbraw/zinc/96/81/53/1073968153.db2.gz QWAGNMGBTFSISL-OAQYLSRUSA-N 2 2 414.550 0.948 20 0 HCADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379402 1073971571 /nfs/dbraw/zinc/97/15/71/1073971571.db2.gz XNBJQCDXCLGWIL-KRWDZBQOSA-N 2 2 404.511 0.290 20 0 HCADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379403 1073971369 /nfs/dbraw/zinc/97/13/69/1073971369.db2.gz XNBJQCDXCLGWIL-QGZVFWFLSA-N 2 2 404.511 0.290 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000605419291 1073979518 /nfs/dbraw/zinc/97/95/18/1073979518.db2.gz QNHPUFZLJYTUFC-KRWDZBQOSA-N 2 2 412.542 0.572 20 0 HCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000605420706 1073981051 /nfs/dbraw/zinc/98/10/51/1073981051.db2.gz XBJZPOHEEHUACT-UHFFFAOYSA-N 2 2 404.555 0.728 20 0 HCADLP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605430734 1074004567 /nfs/dbraw/zinc/00/45/67/1074004567.db2.gz VKWOBANCRFNDGB-UHFFFAOYSA-N 2 2 403.527 0.717 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000605431595 1073993692 /nfs/dbraw/zinc/99/36/92/1073993692.db2.gz UVZOBRXOSAKHNT-INIZCTEOSA-N 2 2 401.511 0.471 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000605431595 1073993677 /nfs/dbraw/zinc/99/36/77/1073993677.db2.gz UVZOBRXOSAKHNT-INIZCTEOSA-N 2 2 401.511 0.471 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000605431596 1073993874 /nfs/dbraw/zinc/99/38/74/1073993874.db2.gz UVZOBRXOSAKHNT-MRXNPFEDSA-N 2 2 401.511 0.471 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000605431596 1073993859 /nfs/dbraw/zinc/99/38/59/1073993859.db2.gz UVZOBRXOSAKHNT-MRXNPFEDSA-N 2 2 401.511 0.471 20 0 HCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000605529824 1074015041 /nfs/dbraw/zinc/01/50/41/1074015041.db2.gz MSFRTSUVDMSZFR-LEWJYISDSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000605529824 1074015024 /nfs/dbraw/zinc/01/50/24/1074015024.db2.gz MSFRTSUVDMSZFR-LEWJYISDSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000605529825 1074015296 /nfs/dbraw/zinc/01/52/96/1074015296.db2.gz MSFRTSUVDMSZFR-NHCUHLMSSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000605529825 1074015283 /nfs/dbraw/zinc/01/52/83/1074015283.db2.gz MSFRTSUVDMSZFR-NHCUHLMSSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000605529826 1074015517 /nfs/dbraw/zinc/01/55/17/1074015517.db2.gz MSFRTSUVDMSZFR-RTWAWAEBSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000605529826 1074015509 /nfs/dbraw/zinc/01/55/09/1074015509.db2.gz MSFRTSUVDMSZFR-RTWAWAEBSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000605529827 1074015131 /nfs/dbraw/zinc/01/51/31/1074015131.db2.gz MSFRTSUVDMSZFR-SFTDATJTSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000605529827 1074015120 /nfs/dbraw/zinc/01/51/20/1074015120.db2.gz MSFRTSUVDMSZFR-SFTDATJTSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605603898 1074025588 /nfs/dbraw/zinc/02/55/88/1074025588.db2.gz XVLDEJUKVNJDEZ-FXAWDEMLSA-N 2 2 412.600 0.994 20 0 HCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605603899 1074025357 /nfs/dbraw/zinc/02/53/57/1074025357.db2.gz XVLDEJUKVNJDEZ-PXNSSMCTSA-N 2 2 412.600 0.994 20 0 HCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605603900 1074025924 /nfs/dbraw/zinc/02/59/24/1074025924.db2.gz XVLDEJUKVNJDEZ-XLIONFOSSA-N 2 2 412.600 0.994 20 0 HCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605603901 1074026079 /nfs/dbraw/zinc/02/60/79/1074026079.db2.gz XVLDEJUKVNJDEZ-YLJYHZDGSA-N 2 2 412.600 0.994 20 0 HCADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000605850128 1074039636 /nfs/dbraw/zinc/03/96/36/1074039636.db2.gz XGXKORZUKYMTMZ-IBGZPJMESA-N 2 2 403.527 0.594 20 0 HCADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000605850128 1074039623 /nfs/dbraw/zinc/03/96/23/1074039623.db2.gz XGXKORZUKYMTMZ-IBGZPJMESA-N 2 2 403.527 0.594 20 0 HCADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000605850133 1074039924 /nfs/dbraw/zinc/03/99/24/1074039924.db2.gz XGXKORZUKYMTMZ-LJQANCHMSA-N 2 2 403.527 0.594 20 0 HCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000605850133 1074039919 /nfs/dbraw/zinc/03/99/19/1074039919.db2.gz XGXKORZUKYMTMZ-LJQANCHMSA-N 2 2 403.527 0.594 20 0 HCADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000605875296 1074040395 /nfs/dbraw/zinc/04/03/95/1074040395.db2.gz ALLYMKAVCYAPTO-AEFFLSMTSA-N 2 2 406.575 0.149 20 0 HCADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000605875296 1074040385 /nfs/dbraw/zinc/04/03/85/1074040385.db2.gz ALLYMKAVCYAPTO-AEFFLSMTSA-N 2 2 406.575 0.149 20 0 HCADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000605875343 1074039717 /nfs/dbraw/zinc/03/97/17/1074039717.db2.gz ALLYMKAVCYAPTO-FUHWJXTLSA-N 2 2 406.575 0.149 20 0 HCADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000605875343 1074039703 /nfs/dbraw/zinc/03/97/03/1074039703.db2.gz ALLYMKAVCYAPTO-FUHWJXTLSA-N 2 2 406.575 0.149 20 0 HCADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000605875352 1074039895 /nfs/dbraw/zinc/03/98/95/1074039895.db2.gz ALLYMKAVCYAPTO-SJLPKXTDSA-N 2 2 406.575 0.149 20 0 HCADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000605875352 1074039887 /nfs/dbraw/zinc/03/98/87/1074039887.db2.gz ALLYMKAVCYAPTO-SJLPKXTDSA-N 2 2 406.575 0.149 20 0 HCADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000605875367 1074039863 /nfs/dbraw/zinc/03/98/63/1074039863.db2.gz ALLYMKAVCYAPTO-WMZOPIPTSA-N 2 2 406.575 0.149 20 0 HCADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000605875367 1074039853 /nfs/dbraw/zinc/03/98/53/1074039853.db2.gz ALLYMKAVCYAPTO-WMZOPIPTSA-N 2 2 406.575 0.149 20 0 HCADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000605883738 1074034285 /nfs/dbraw/zinc/03/42/85/1074034285.db2.gz RQBIAKIDPSMFNS-IBGZPJMESA-N 2 2 406.527 0.918 20 0 HCADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000605883738 1074034278 /nfs/dbraw/zinc/03/42/78/1074034278.db2.gz RQBIAKIDPSMFNS-IBGZPJMESA-N 2 2 406.527 0.918 20 0 HCADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000605883753 1074034749 /nfs/dbraw/zinc/03/47/49/1074034749.db2.gz RQBIAKIDPSMFNS-LJQANCHMSA-N 2 2 406.527 0.918 20 0 HCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000605883753 1074034737 /nfs/dbraw/zinc/03/47/37/1074034737.db2.gz RQBIAKIDPSMFNS-LJQANCHMSA-N 2 2 406.527 0.918 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000605916616 1074043033 /nfs/dbraw/zinc/04/30/33/1074043033.db2.gz OJIMZRHNKAIBIM-IBGZPJMESA-N 2 2 402.543 0.832 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000605916616 1074043025 /nfs/dbraw/zinc/04/30/25/1074043025.db2.gz OJIMZRHNKAIBIM-IBGZPJMESA-N 2 2 402.543 0.832 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000605916620 1074043154 /nfs/dbraw/zinc/04/31/54/1074043154.db2.gz OJIMZRHNKAIBIM-LJQANCHMSA-N 2 2 402.543 0.832 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000605916620 1074043148 /nfs/dbraw/zinc/04/31/48/1074043148.db2.gz OJIMZRHNKAIBIM-LJQANCHMSA-N 2 2 402.543 0.832 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000605917083 1074042994 /nfs/dbraw/zinc/04/29/94/1074042994.db2.gz SQPCEWNSTKCTEM-KRWDZBQOSA-N 2 2 418.542 0.450 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000605917083 1074042988 /nfs/dbraw/zinc/04/29/88/1074042988.db2.gz SQPCEWNSTKCTEM-KRWDZBQOSA-N 2 2 418.542 0.450 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000605917086 1074042824 /nfs/dbraw/zinc/04/28/24/1074042824.db2.gz SQPCEWNSTKCTEM-QGZVFWFLSA-N 2 2 418.542 0.450 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000605917086 1074042808 /nfs/dbraw/zinc/04/28/08/1074042808.db2.gz SQPCEWNSTKCTEM-QGZVFWFLSA-N 2 2 418.542 0.450 20 0 HCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605960956 1074050454 /nfs/dbraw/zinc/05/04/54/1074050454.db2.gz PGLDHLVXJRNUAY-FQEVSTJZSA-N 2 2 412.600 0.948 20 0 HCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605960959 1074050544 /nfs/dbraw/zinc/05/05/44/1074050544.db2.gz PGLDHLVXJRNUAY-HXUWFJFHSA-N 2 2 412.600 0.948 20 0 HCADLP O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605992740 1074058323 /nfs/dbraw/zinc/05/83/23/1074058323.db2.gz GTPKESDZKITKFT-UHFFFAOYSA-N 2 2 410.478 0.925 20 0 HCADLP C[C@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1)[NH+]1CCOCC1 ZINC000606080436 1074088437 /nfs/dbraw/zinc/08/84/37/1074088437.db2.gz GMTTZZQMFJCASR-APWZRJJASA-N 2 2 403.527 0.380 20 0 HCADLP C[C@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1)[NH+]1CCOCC1 ZINC000606080436 1074088431 /nfs/dbraw/zinc/08/84/31/1074088431.db2.gz GMTTZZQMFJCASR-APWZRJJASA-N 2 2 403.527 0.380 20 0 HCADLP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1)[NH+]1CCOCC1 ZINC000606080437 1074088244 /nfs/dbraw/zinc/08/82/44/1074088244.db2.gz GMTTZZQMFJCASR-LPHOPBHVSA-N 2 2 403.527 0.380 20 0 HCADLP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1)[NH+]1CCOCC1 ZINC000606080437 1074088236 /nfs/dbraw/zinc/08/82/36/1074088236.db2.gz GMTTZZQMFJCASR-LPHOPBHVSA-N 2 2 403.527 0.380 20 0 HCADLP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1)[NH+]1CCOCC1 ZINC000606080438 1074088376 /nfs/dbraw/zinc/08/83/76/1074088376.db2.gz GMTTZZQMFJCASR-QFBILLFUSA-N 2 2 403.527 0.380 20 0 HCADLP C[C@@H](c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1)[NH+]1CCOCC1 ZINC000606080438 1074088365 /nfs/dbraw/zinc/08/83/65/1074088365.db2.gz GMTTZZQMFJCASR-QFBILLFUSA-N 2 2 403.527 0.380 20 0 HCADLP C[C@H](c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1)[NH+]1CCOCC1 ZINC000606080439 1074088124 /nfs/dbraw/zinc/08/81/24/1074088124.db2.gz GMTTZZQMFJCASR-VQIMIIECSA-N 2 2 403.527 0.380 20 0 HCADLP C[C@H](c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1)[NH+]1CCOCC1 ZINC000606080439 1074088115 /nfs/dbraw/zinc/08/81/15/1074088115.db2.gz GMTTZZQMFJCASR-VQIMIIECSA-N 2 2 403.527 0.380 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000606107810 1074119610 /nfs/dbraw/zinc/11/96/10/1074119610.db2.gz QFVXAIRMMWJARX-UHFFFAOYSA-N 2 2 410.478 0.058 20 0 HCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000606107833 1074119755 /nfs/dbraw/zinc/11/97/55/1074119755.db2.gz XKOAZLASHCBEGD-UHFFFAOYSA-N 2 2 410.522 0.808 20 0 HCADLP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000606110351 1074123887 /nfs/dbraw/zinc/12/38/87/1074123887.db2.gz KJGXYSSUJQPSKY-UHFFFAOYSA-N 2 2 415.538 0.861 20 0 HCADLP C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000606113039 1074124599 /nfs/dbraw/zinc/12/45/99/1074124599.db2.gz ARAIRKCFESMQHE-UHFFFAOYSA-N 2 2 415.538 0.861 20 0 HCADLP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000606114212 1074127176 /nfs/dbraw/zinc/12/71/76/1074127176.db2.gz JCVRTQHUVACQAW-UHFFFAOYSA-N 2 2 401.511 0.471 20 0 HCADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371759 1074166894 /nfs/dbraw/zinc/16/68/94/1074166894.db2.gz UKVNKRYXGWMFIO-UHFFFAOYSA-N 2 2 416.526 0.039 20 0 HCADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371759 1074166889 /nfs/dbraw/zinc/16/68/89/1074166889.db2.gz UKVNKRYXGWMFIO-UHFFFAOYSA-N 2 2 416.526 0.039 20 0 HCADLP C[C@@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000606426069 1074182659 /nfs/dbraw/zinc/18/26/59/1074182659.db2.gz WDHXGAGDKNIJBH-IBGZPJMESA-N 2 2 403.571 0.912 20 0 HCADLP C[C@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000606426070 1074182625 /nfs/dbraw/zinc/18/26/25/1074182625.db2.gz WDHXGAGDKNIJBH-LJQANCHMSA-N 2 2 403.571 0.912 20 0 HCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000606447660 1074178168 /nfs/dbraw/zinc/17/81/68/1074178168.db2.gz GXLGHEKFYQLQJM-IBGZPJMESA-N 2 2 407.603 0.996 20 0 HCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000606447660 1074178162 /nfs/dbraw/zinc/17/81/62/1074178162.db2.gz GXLGHEKFYQLQJM-IBGZPJMESA-N 2 2 407.603 0.996 20 0 HCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000606447661 1074178072 /nfs/dbraw/zinc/17/80/72/1074178072.db2.gz GXLGHEKFYQLQJM-LJQANCHMSA-N 2 2 407.603 0.996 20 0 HCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000606447661 1074178067 /nfs/dbraw/zinc/17/80/67/1074178067.db2.gz GXLGHEKFYQLQJM-LJQANCHMSA-N 2 2 407.603 0.996 20 0 HCADLP CC[NH+]1CCC(NC(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000606454586 1074180271 /nfs/dbraw/zinc/18/02/71/1074180271.db2.gz LNEVUJPJVQGOPF-UHFFFAOYSA-N 2 2 417.558 0.036 20 0 HCADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606480612 1074186927 /nfs/dbraw/zinc/18/69/27/1074186927.db2.gz YMUFYZXRGRUPDX-UHFFFAOYSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606480612 1074186916 /nfs/dbraw/zinc/18/69/16/1074186916.db2.gz YMUFYZXRGRUPDX-UHFFFAOYSA-N 2 2 415.542 0.772 20 0 HCADLP CC1CC[NH+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000606488922 1074187969 /nfs/dbraw/zinc/18/79/69/1074187969.db2.gz NKYHMZSEENCNIQ-UHFFFAOYSA-N 2 2 417.558 0.877 20 0 HCADLP CC1CC[NH+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000606488922 1074187963 /nfs/dbraw/zinc/18/79/63/1074187963.db2.gz NKYHMZSEENCNIQ-UHFFFAOYSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606488996 1074187588 /nfs/dbraw/zinc/18/75/88/1074187588.db2.gz SCKIOFYJICXHGG-GOSISDBHSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606488996 1074187584 /nfs/dbraw/zinc/18/75/84/1074187584.db2.gz SCKIOFYJICXHGG-GOSISDBHSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606488996 1074187579 /nfs/dbraw/zinc/18/75/79/1074187579.db2.gz SCKIOFYJICXHGG-GOSISDBHSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606488996 1074187574 /nfs/dbraw/zinc/18/75/74/1074187574.db2.gz SCKIOFYJICXHGG-GOSISDBHSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606488997 1074187796 /nfs/dbraw/zinc/18/77/96/1074187796.db2.gz SCKIOFYJICXHGG-SFHVURJKSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606488997 1074187792 /nfs/dbraw/zinc/18/77/92/1074187792.db2.gz SCKIOFYJICXHGG-SFHVURJKSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606488997 1074187789 /nfs/dbraw/zinc/18/77/89/1074187789.db2.gz SCKIOFYJICXHGG-SFHVURJKSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606488997 1074187780 /nfs/dbraw/zinc/18/77/80/1074187780.db2.gz SCKIOFYJICXHGG-SFHVURJKSA-N 2 2 417.558 0.877 20 0 HCADLP 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C[C@H](CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C[NH+]1CCOCC1 ZINC000606635905 1074200065 /nfs/dbraw/zinc/20/00/65/1074200065.db2.gz FLGPDIILJXZRTQ-GOSISDBHSA-N 2 2 417.554 0.842 20 0 HCADLP C[C@@H](CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C[NH+]1CCOCC1 ZINC000606635906 1074199929 /nfs/dbraw/zinc/19/99/29/1074199929.db2.gz FLGPDIILJXZRTQ-SFHVURJKSA-N 2 2 417.554 0.842 20 0 HCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000606638045 1074200469 /nfs/dbraw/zinc/20/04/69/1074200469.db2.gz PUHKNJHCRCNZJH-UHFFFAOYSA-N 2 2 416.570 0.614 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000606641361 1074201522 /nfs/dbraw/zinc/20/15/22/1074201522.db2.gz WOTFZMJDIPEKAU-UHFFFAOYSA-N 2 2 416.570 0.660 20 0 HCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606642339 1074201641 /nfs/dbraw/zinc/20/16/41/1074201641.db2.gz WUOKVPZNEZNLCX-MSOLQXFVSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606642339 1074201635 /nfs/dbraw/zinc/20/16/35/1074201635.db2.gz WUOKVPZNEZNLCX-MSOLQXFVSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606642339 1074201626 /nfs/dbraw/zinc/20/16/26/1074201626.db2.gz WUOKVPZNEZNLCX-MSOLQXFVSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606642339 1074201620 /nfs/dbraw/zinc/20/16/20/1074201620.db2.gz WUOKVPZNEZNLCX-MSOLQXFVSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606642340 1074201428 /nfs/dbraw/zinc/20/14/28/1074201428.db2.gz WUOKVPZNEZNLCX-QZTJIDSGSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606642340 1074201416 /nfs/dbraw/zinc/20/14/16/1074201416.db2.gz WUOKVPZNEZNLCX-QZTJIDSGSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606642340 1074201402 /nfs/dbraw/zinc/20/14/02/1074201402.db2.gz WUOKVPZNEZNLCX-QZTJIDSGSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606642340 1074201393 /nfs/dbraw/zinc/20/13/93/1074201393.db2.gz WUOKVPZNEZNLCX-QZTJIDSGSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606642341 1074201236 /nfs/dbraw/zinc/20/12/36/1074201236.db2.gz WUOKVPZNEZNLCX-ROUUACIJSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606642341 1074201224 /nfs/dbraw/zinc/20/12/24/1074201224.db2.gz WUOKVPZNEZNLCX-ROUUACIJSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606642341 1074201216 /nfs/dbraw/zinc/20/12/16/1074201216.db2.gz WUOKVPZNEZNLCX-ROUUACIJSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606642341 1074201206 /nfs/dbraw/zinc/20/12/06/1074201206.db2.gz WUOKVPZNEZNLCX-ROUUACIJSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606642342 1074201355 /nfs/dbraw/zinc/20/13/55/1074201355.db2.gz WUOKVPZNEZNLCX-ZWKOTPCHSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606642342 1074201342 /nfs/dbraw/zinc/20/13/42/1074201342.db2.gz WUOKVPZNEZNLCX-ZWKOTPCHSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606642342 1074201331 /nfs/dbraw/zinc/20/13/31/1074201331.db2.gz WUOKVPZNEZNLCX-ZWKOTPCHSA-N 2 2 415.542 0.772 20 0 HCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606642342 1074201324 /nfs/dbraw/zinc/20/13/24/1074201324.db2.gz WUOKVPZNEZNLCX-ZWKOTPCHSA-N 2 2 415.542 0.772 20 0 HCADLP C[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C[NH+]1CCCC1 ZINC000606646157 1074202075 /nfs/dbraw/zinc/20/20/75/1074202075.db2.gz SWGBLZLZKGYHFP-GOSISDBHSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000606646157 1074202063 /nfs/dbraw/zinc/20/20/63/1074202063.db2.gz SWGBLZLZKGYHFP-GOSISDBHSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C[NH+]1CCCC1 ZINC000606646158 1074201963 /nfs/dbraw/zinc/20/19/63/1074201963.db2.gz SWGBLZLZKGYHFP-SFHVURJKSA-N 2 2 417.558 0.877 20 0 HCADLP C[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000606646158 1074201953 /nfs/dbraw/zinc/20/19/53/1074201953.db2.gz SWGBLZLZKGYHFP-SFHVURJKSA-N 2 2 417.558 0.877 20 0 HCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000606686556 1074207786 /nfs/dbraw/zinc/20/77/86/1074207786.db2.gz NDCOLZHPFKSVMC-PMACEKPBSA-N 2 2 417.554 0.569 20 0 HCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000606686556 1074207782 /nfs/dbraw/zinc/20/77/82/1074207782.db2.gz NDCOLZHPFKSVMC-PMACEKPBSA-N 2 2 417.554 0.569 20 0 HCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000606686557 1074208081 /nfs/dbraw/zinc/20/80/81/1074208081.db2.gz NDCOLZHPFKSVMC-UXHICEINSA-N 2 2 417.554 0.569 20 0 HCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000606686557 1074208079 /nfs/dbraw/zinc/20/80/79/1074208079.db2.gz NDCOLZHPFKSVMC-UXHICEINSA-N 2 2 417.554 0.569 20 0 HCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000606686558 1074208031 /nfs/dbraw/zinc/20/80/31/1074208031.db2.gz NDCOLZHPFKSVMC-VQTJNVASSA-N 2 2 417.554 0.569 20 0 HCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000606686558 1074208019 /nfs/dbraw/zinc/20/80/19/1074208019.db2.gz NDCOLZHPFKSVMC-VQTJNVASSA-N 2 2 417.554 0.569 20 0 HCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000606686559 1074208283 /nfs/dbraw/zinc/20/82/83/1074208283.db2.gz NDCOLZHPFKSVMC-WOJBJXKFSA-N 2 2 417.554 0.569 20 0 HCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000606686559 1074208274 /nfs/dbraw/zinc/20/82/74/1074208274.db2.gz NDCOLZHPFKSVMC-WOJBJXKFSA-N 2 2 417.554 0.569 20 0 HCADLP CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606687870 1074208175 /nfs/dbraw/zinc/20/81/75/1074208175.db2.gz WILGPTMPINNRIW-UHFFFAOYSA-N 2 2 405.547 0.877 20 0 HCADLP CCCC[N@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606687870 1074208170 /nfs/dbraw/zinc/20/81/70/1074208170.db2.gz WILGPTMPINNRIW-UHFFFAOYSA-N 2 2 405.547 0.877 20 0 HCADLP CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606687870 1074208160 /nfs/dbraw/zinc/20/81/60/1074208160.db2.gz WILGPTMPINNRIW-UHFFFAOYSA-N 2 2 405.547 0.877 20 0 HCADLP CCCC[N@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606687870 1074208155 /nfs/dbraw/zinc/20/81/55/1074208155.db2.gz WILGPTMPINNRIW-UHFFFAOYSA-N 2 2 405.547 0.877 20 0 HCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606690494 1074207857 /nfs/dbraw/zinc/20/78/57/1074207857.db2.gz AZBKYFUHZUSZDN-INIZCTEOSA-N 2 2 401.515 0.382 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606690494 1074207839 /nfs/dbraw/zinc/20/78/39/1074207839.db2.gz AZBKYFUHZUSZDN-INIZCTEOSA-N 2 2 401.515 0.382 20 0 HCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606690494 1074207825 /nfs/dbraw/zinc/20/78/25/1074207825.db2.gz AZBKYFUHZUSZDN-INIZCTEOSA-N 2 2 401.515 0.382 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606690494 1074207816 /nfs/dbraw/zinc/20/78/16/1074207816.db2.gz AZBKYFUHZUSZDN-INIZCTEOSA-N 2 2 401.515 0.382 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606690495 1074208756 /nfs/dbraw/zinc/20/87/56/1074208756.db2.gz AZBKYFUHZUSZDN-MRXNPFEDSA-N 2 2 401.515 0.382 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606690495 1074208749 /nfs/dbraw/zinc/20/87/49/1074208749.db2.gz AZBKYFUHZUSZDN-MRXNPFEDSA-N 2 2 401.515 0.382 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606690495 1074208734 /nfs/dbraw/zinc/20/87/34/1074208734.db2.gz AZBKYFUHZUSZDN-MRXNPFEDSA-N 2 2 401.515 0.382 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606690495 1074208723 /nfs/dbraw/zinc/20/87/23/1074208723.db2.gz AZBKYFUHZUSZDN-MRXNPFEDSA-N 2 2 401.515 0.382 20 0 HCADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000606693554 1074204220 /nfs/dbraw/zinc/20/42/20/1074204220.db2.gz LPSARJKFHGEJPP-MOPGFXCFSA-N 2 2 404.559 0.860 20 0 HCADLP C[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000606693555 1074204305 /nfs/dbraw/zinc/20/43/05/1074204305.db2.gz LPSARJKFHGEJPP-OALUTQOASA-N 2 2 404.559 0.860 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000606693556 1074204235 /nfs/dbraw/zinc/20/42/35/1074204235.db2.gz LPSARJKFHGEJPP-RBUKOAKNSA-N 2 2 404.559 0.860 20 0 HCADLP C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000606693557 1074204119 /nfs/dbraw/zinc/20/41/19/1074204119.db2.gz LPSARJKFHGEJPP-RTBURBONSA-N 2 2 404.559 0.860 20 0 HCADLP C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC[NH+](C)CC1 ZINC000606699021 1074204643 /nfs/dbraw/zinc/20/46/43/1074204643.db2.gz BXFCOGFMDULVAF-KRWDZBQOSA-N 2 2 417.558 0.875 20 0 HCADLP C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000606699021 1074204629 /nfs/dbraw/zinc/20/46/29/1074204629.db2.gz BXFCOGFMDULVAF-KRWDZBQOSA-N 2 2 417.558 0.875 20 0 HCADLP C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC[NH+](C)CC1 ZINC000606699022 1074204839 /nfs/dbraw/zinc/20/48/39/1074204839.db2.gz BXFCOGFMDULVAF-QGZVFWFLSA-N 2 2 417.558 0.875 20 0 HCADLP C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000606699022 1074204826 /nfs/dbraw/zinc/20/48/26/1074204826.db2.gz BXFCOGFMDULVAF-QGZVFWFLSA-N 2 2 417.558 0.875 20 0 HCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724920 1074216606 /nfs/dbraw/zinc/21/66/06/1074216606.db2.gz AIZRHFZIFSEXAY-FUHIMQAGSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724920 1074216602 /nfs/dbraw/zinc/21/66/02/1074216602.db2.gz AIZRHFZIFSEXAY-FUHIMQAGSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724920 1074216588 /nfs/dbraw/zinc/21/65/88/1074216588.db2.gz AIZRHFZIFSEXAY-FUHIMQAGSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724920 1074216570 /nfs/dbraw/zinc/21/65/70/1074216570.db2.gz AIZRHFZIFSEXAY-FUHIMQAGSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2)C[C@@H](C)O1 ZINC000606724921 1074216448 /nfs/dbraw/zinc/21/64/48/1074216448.db2.gz AIZRHFZIFSEXAY-HLIPFELVSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)C[C@@H](C)O1 ZINC000606724921 1074216434 /nfs/dbraw/zinc/21/64/34/1074216434.db2.gz AIZRHFZIFSEXAY-HLIPFELVSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2)C[C@@H](C)O1 ZINC000606724922 1074216337 /nfs/dbraw/zinc/21/63/37/1074216337.db2.gz AIZRHFZIFSEXAY-MBOZVWFJSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)C[C@@H](C)O1 ZINC000606724922 1074216331 /nfs/dbraw/zinc/21/63/31/1074216331.db2.gz AIZRHFZIFSEXAY-MBOZVWFJSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724923 1074217244 /nfs/dbraw/zinc/21/72/44/1074217244.db2.gz AIZRHFZIFSEXAY-QKLQHJQFSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724923 1074217240 /nfs/dbraw/zinc/21/72/40/1074217240.db2.gz AIZRHFZIFSEXAY-QKLQHJQFSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724923 1074217233 /nfs/dbraw/zinc/21/72/33/1074217233.db2.gz AIZRHFZIFSEXAY-QKLQHJQFSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724923 1074217230 /nfs/dbraw/zinc/21/72/30/1074217230.db2.gz AIZRHFZIFSEXAY-QKLQHJQFSA-N 2 2 417.554 0.596 20 0 HCADLP C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000606750058 1074223586 /nfs/dbraw/zinc/22/35/86/1074223586.db2.gz VTVWASYENJGLLM-GOSISDBHSA-N 2 2 418.538 0.584 20 0 HCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000606750060 1074223620 /nfs/dbraw/zinc/22/36/20/1074223620.db2.gz VTVWASYENJGLLM-SFHVURJKSA-N 2 2 418.538 0.584 20 0 HCADLP C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C[NH+]1CCOCC1 ZINC000606750363 1074223601 /nfs/dbraw/zinc/22/36/01/1074223601.db2.gz OBZPHEMPUUCYNC-GOSISDBHSA-N 2 2 417.554 0.457 20 0 HCADLP C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C[NH+]1CCOCC1 ZINC000606750365 1074223685 /nfs/dbraw/zinc/22/36/85/1074223685.db2.gz OBZPHEMPUUCYNC-SFHVURJKSA-N 2 2 417.554 0.457 20 0 HCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606753267 1074225893 /nfs/dbraw/zinc/22/58/93/1074225893.db2.gz CSFGUAVJAMMCTK-IBGZPJMESA-N 2 2 415.538 0.811 20 0 HCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606753267 1074225885 /nfs/dbraw/zinc/22/58/85/1074225885.db2.gz CSFGUAVJAMMCTK-IBGZPJMESA-N 2 2 415.538 0.811 20 0 HCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606753268 1074225460 /nfs/dbraw/zinc/22/54/60/1074225460.db2.gz CSFGUAVJAMMCTK-LJQANCHMSA-N 2 2 415.538 0.811 20 0 HCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606753268 1074225451 /nfs/dbraw/zinc/22/54/51/1074225451.db2.gz CSFGUAVJAMMCTK-LJQANCHMSA-N 2 2 415.538 0.811 20 0 HCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606755020 1074227119 /nfs/dbraw/zinc/22/71/19/1074227119.db2.gz SEUPCFFKVFVSJN-IBGZPJMESA-N 2 2 415.538 0.811 20 0 HCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606755020 1074227112 /nfs/dbraw/zinc/22/71/12/1074227112.db2.gz SEUPCFFKVFVSJN-IBGZPJMESA-N 2 2 415.538 0.811 20 0 HCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606755021 1074227247 /nfs/dbraw/zinc/22/72/47/1074227247.db2.gz SEUPCFFKVFVSJN-LJQANCHMSA-N 2 2 415.538 0.811 20 0 HCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606755021 1074227234 /nfs/dbraw/zinc/22/72/34/1074227234.db2.gz SEUPCFFKVFVSJN-LJQANCHMSA-N 2 2 415.538 0.811 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C2)CC1 ZINC000606925488 1074249650 /nfs/dbraw/zinc/24/96/50/1074249650.db2.gz MNBAJEXHHYXJNY-GFCCVEGCSA-N 2 2 401.437 0.991 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C2)CC1 ZINC000606925488 1074249641 /nfs/dbraw/zinc/24/96/41/1074249641.db2.gz MNBAJEXHHYXJNY-GFCCVEGCSA-N 2 2 401.437 0.991 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C2)CC1 ZINC000606925491 1074249611 /nfs/dbraw/zinc/24/96/11/1074249611.db2.gz MNBAJEXHHYXJNY-LBPRGKRZSA-N 2 2 401.437 0.991 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C2)CC1 ZINC000606925491 1074249602 /nfs/dbraw/zinc/24/96/02/1074249602.db2.gz MNBAJEXHHYXJNY-LBPRGKRZSA-N 2 2 401.437 0.991 20 0 HCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607047094 1074268326 /nfs/dbraw/zinc/26/83/26/1074268326.db2.gz DHEFKWRVOWJPKP-GOSISDBHSA-N 2 2 400.527 0.144 20 0 HCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607047094 1074268313 /nfs/dbraw/zinc/26/83/13/1074268313.db2.gz DHEFKWRVOWJPKP-GOSISDBHSA-N 2 2 400.527 0.144 20 0 HCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607047095 1074268590 /nfs/dbraw/zinc/26/85/90/1074268590.db2.gz DHEFKWRVOWJPKP-SFHVURJKSA-N 2 2 400.527 0.144 20 0 HCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607047095 1074268585 /nfs/dbraw/zinc/26/85/85/1074268585.db2.gz DHEFKWRVOWJPKP-SFHVURJKSA-N 2 2 400.527 0.144 20 0 HCADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607050418 1074261945 /nfs/dbraw/zinc/26/19/45/1074261945.db2.gz SCNHJRHJJMWKNF-FQEVSTJZSA-N 2 2 400.571 0.832 20 0 HCADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607050418 1074261937 /nfs/dbraw/zinc/26/19/37/1074261937.db2.gz SCNHJRHJJMWKNF-FQEVSTJZSA-N 2 2 400.571 0.832 20 0 HCADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607050422 1074261716 /nfs/dbraw/zinc/26/17/16/1074261716.db2.gz SCNHJRHJJMWKNF-HXUWFJFHSA-N 2 2 400.571 0.832 20 0 HCADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000607050422 1074261701 /nfs/dbraw/zinc/26/17/01/1074261701.db2.gz SCNHJRHJJMWKNF-HXUWFJFHSA-N 2 2 400.571 0.832 20 0 HCADLP CN(C(=O)[C@@H]1Cc2cc(F)ccc2O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000607112495 1074273168 /nfs/dbraw/zinc/27/31/68/1074273168.db2.gz VMQHZTCIQBWWAW-FQEVSTJZSA-N 2 2 418.513 0.826 20 0 HCADLP CN(C(=O)[C@H]1Cc2cc(F)ccc2O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000607112499 1074273586 /nfs/dbraw/zinc/27/35/86/1074273586.db2.gz VMQHZTCIQBWWAW-HXUWFJFHSA-N 2 2 418.513 0.826 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000607203881 1074288643 /nfs/dbraw/zinc/28/86/43/1074288643.db2.gz PBSILQYUJNJAMZ-UHFFFAOYSA-N 2 2 419.526 0.661 20 0 HCADLP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000607235551 1074289122 /nfs/dbraw/zinc/28/91/22/1074289122.db2.gz SAPIZPLZQPGCFQ-IBGZPJMESA-N 2 2 400.589 0.683 20 0 HCADLP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000607235551 1074289114 /nfs/dbraw/zinc/28/91/14/1074289114.db2.gz SAPIZPLZQPGCFQ-IBGZPJMESA-N 2 2 400.589 0.683 20 0 HCADLP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000607235552 1074289250 /nfs/dbraw/zinc/28/92/50/1074289250.db2.gz SAPIZPLZQPGCFQ-LJQANCHMSA-N 2 2 400.589 0.683 20 0 HCADLP C[N@H+](CCCO)C1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000607235552 1074289242 /nfs/dbraw/zinc/28/92/42/1074289242.db2.gz SAPIZPLZQPGCFQ-LJQANCHMSA-N 2 2 400.589 0.683 20 0 HCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000607239676 1074289671 /nfs/dbraw/zinc/28/96/71/1074289671.db2.gz OKQYLPHYXISHDE-UHFFFAOYSA-N 3 2 419.574 0.255 20 0 HCADLP C[C@@H](c1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000607270052 1074300724 /nfs/dbraw/zinc/30/07/24/1074300724.db2.gz YGRQWKCZHSUDGB-INIZCTEOSA-N 2 2 404.511 0.591 20 0 HCADLP C[C@H](c1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000607270053 1074300846 /nfs/dbraw/zinc/30/08/46/1074300846.db2.gz YGRQWKCZHSUDGB-MRXNPFEDSA-N 2 2 404.511 0.591 20 0 HCADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607342442 1074316897 /nfs/dbraw/zinc/31/68/97/1074316897.db2.gz FPMUUAAUQNHUGD-LEWJYISDSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607342442 1074316890 /nfs/dbraw/zinc/31/68/90/1074316890.db2.gz FPMUUAAUQNHUGD-LEWJYISDSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607342442 1074316882 /nfs/dbraw/zinc/31/68/82/1074316882.db2.gz FPMUUAAUQNHUGD-LEWJYISDSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607342442 1074316876 /nfs/dbraw/zinc/31/68/76/1074316876.db2.gz FPMUUAAUQNHUGD-LEWJYISDSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607342443 1074317043 /nfs/dbraw/zinc/31/70/43/1074317043.db2.gz FPMUUAAUQNHUGD-NHCUHLMSSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607342443 1074317036 /nfs/dbraw/zinc/31/70/36/1074317036.db2.gz FPMUUAAUQNHUGD-NHCUHLMSSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607342443 1074317027 /nfs/dbraw/zinc/31/70/27/1074317027.db2.gz FPMUUAAUQNHUGD-NHCUHLMSSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607342443 1074317019 /nfs/dbraw/zinc/31/70/19/1074317019.db2.gz FPMUUAAUQNHUGD-NHCUHLMSSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607342444 1074317406 /nfs/dbraw/zinc/31/74/06/1074317406.db2.gz FPMUUAAUQNHUGD-RTWAWAEBSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607342444 1074317399 /nfs/dbraw/zinc/31/73/99/1074317399.db2.gz FPMUUAAUQNHUGD-RTWAWAEBSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607342444 1074317391 /nfs/dbraw/zinc/31/73/91/1074317391.db2.gz FPMUUAAUQNHUGD-RTWAWAEBSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607342444 1074317379 /nfs/dbraw/zinc/31/73/79/1074317379.db2.gz FPMUUAAUQNHUGD-RTWAWAEBSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607342445 1074317678 /nfs/dbraw/zinc/31/76/78/1074317678.db2.gz FPMUUAAUQNHUGD-SFTDATJTSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607342445 1074317671 /nfs/dbraw/zinc/31/76/71/1074317671.db2.gz FPMUUAAUQNHUGD-SFTDATJTSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607342445 1074317658 /nfs/dbraw/zinc/31/76/58/1074317658.db2.gz FPMUUAAUQNHUGD-SFTDATJTSA-N 2 2 402.539 0.410 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607342445 1074317655 /nfs/dbraw/zinc/31/76/55/1074317655.db2.gz FPMUUAAUQNHUGD-SFTDATJTSA-N 2 2 402.539 0.410 20 0 HCADLP C[C@](O)(CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000607722337 1074362509 /nfs/dbraw/zinc/36/25/09/1074362509.db2.gz ZPFGAHKLPFMEHD-NRFANRHFSA-N 2 2 406.527 0.766 20 0 HCADLP C[C@@](O)(CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000607722338 1074362598 /nfs/dbraw/zinc/36/25/98/1074362598.db2.gz ZPFGAHKLPFMEHD-OAQYLSRUSA-N 2 2 406.527 0.766 20 0 HCADLP O=C(CN1CC[C@@H](C[NH+]2CCOCC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000607751539 1074357541 /nfs/dbraw/zinc/35/75/41/1074357541.db2.gz DYOCOBBVGHUXIA-FQEVSTJZSA-N 2 2 408.587 0.792 20 0 HCADLP O=C(CN1CC[C@H](C[NH+]2CCOCC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000607751540 1074357523 /nfs/dbraw/zinc/35/75/23/1074357523.db2.gz DYOCOBBVGHUXIA-HXUWFJFHSA-N 2 2 408.587 0.792 20 0 HCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000607754059 1074364830 /nfs/dbraw/zinc/36/48/30/1074364830.db2.gz ZEXDJKYKPHCSMV-GOSISDBHSA-N 3 2 409.619 0.955 20 0 HCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000607754060 1074364638 /nfs/dbraw/zinc/36/46/38/1074364638.db2.gz ZEXDJKYKPHCSMV-SFHVURJKSA-N 3 2 409.619 0.955 20 0 HCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000607876269 1074368707 /nfs/dbraw/zinc/36/87/07/1074368707.db2.gz HBSZSUMTGCCMEB-KRWDZBQOSA-N 2 2 400.589 0.867 20 0 HCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000607876270 1074368656 /nfs/dbraw/zinc/36/86/56/1074368656.db2.gz HBSZSUMTGCCMEB-QGZVFWFLSA-N 2 2 400.589 0.867 20 0 HCADLP CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000607876385 1074368875 /nfs/dbraw/zinc/36/88/75/1074368875.db2.gz VMBIJEMFEJKYSL-GOSISDBHSA-N 2 2 407.559 0.180 20 0 HCADLP CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000607876386 1074368785 /nfs/dbraw/zinc/36/87/85/1074368785.db2.gz VMBIJEMFEJKYSL-SFHVURJKSA-N 2 2 407.559 0.180 20 0 HCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)CC1 ZINC000608018051 1074382860 /nfs/dbraw/zinc/38/28/60/1074382860.db2.gz TYAGHRLCRGCXJC-IBGZPJMESA-N 3 2 421.586 0.332 20 0 HCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)CC1 ZINC000608018053 1074382954 /nfs/dbraw/zinc/38/29/54/1074382954.db2.gz TYAGHRLCRGCXJC-LJQANCHMSA-N 3 2 421.586 0.332 20 0 HCADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000608169080 1074397033 /nfs/dbraw/zinc/39/70/33/1074397033.db2.gz QTIYGSGXGYNNNX-LEWJYISDSA-N 2 2 414.550 0.900 20 0 HCADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000608169080 1074397022 /nfs/dbraw/zinc/39/70/22/1074397022.db2.gz QTIYGSGXGYNNNX-LEWJYISDSA-N 2 2 414.550 0.900 20 0 HCADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000608169081 1074397220 /nfs/dbraw/zinc/39/72/20/1074397220.db2.gz QTIYGSGXGYNNNX-NHCUHLMSSA-N 2 2 414.550 0.900 20 0 HCADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000608169081 1074397214 /nfs/dbraw/zinc/39/72/14/1074397214.db2.gz QTIYGSGXGYNNNX-NHCUHLMSSA-N 2 2 414.550 0.900 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423660 1074436070 /nfs/dbraw/zinc/43/60/70/1074436070.db2.gz LHYPSJUDQFKKQF-BEFAXECRSA-N 2 2 417.558 0.772 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423661 1074435986 /nfs/dbraw/zinc/43/59/86/1074435986.db2.gz LHYPSJUDQFKKQF-DNVCBOLYSA-N 2 2 417.558 0.772 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423662 1074436048 /nfs/dbraw/zinc/43/60/48/1074436048.db2.gz LHYPSJUDQFKKQF-HNAYVOBHSA-N 2 2 417.558 0.772 20 0 HCADLP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423663 1074436132 /nfs/dbraw/zinc/43/61/32/1074436132.db2.gz LHYPSJUDQFKKQF-KXBFYZLASA-N 2 2 417.558 0.772 20 0 HCADLP Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438936 1074438650 /nfs/dbraw/zinc/43/86/50/1074438650.db2.gz VMCQEUITGALPIU-DOTOQJQBSA-N 2 2 403.531 0.302 20 0 HCADLP Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438936 1074438646 /nfs/dbraw/zinc/43/86/46/1074438646.db2.gz VMCQEUITGALPIU-DOTOQJQBSA-N 2 2 403.531 0.302 20 0 HCADLP Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438938 1074438715 /nfs/dbraw/zinc/43/87/15/1074438715.db2.gz VMCQEUITGALPIU-NVXWUHKLSA-N 2 2 403.531 0.302 20 0 HCADLP Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438938 1074438705 /nfs/dbraw/zinc/43/87/05/1074438705.db2.gz VMCQEUITGALPIU-NVXWUHKLSA-N 2 2 403.531 0.302 20 0 HCADLP Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438939 1074438603 /nfs/dbraw/zinc/43/86/03/1074438603.db2.gz VMCQEUITGALPIU-RDJZCZTQSA-N 2 2 403.531 0.302 20 0 HCADLP Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438939 1074438595 /nfs/dbraw/zinc/43/85/95/1074438595.db2.gz VMCQEUITGALPIU-RDJZCZTQSA-N 2 2 403.531 0.302 20 0 HCADLP Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438940 1074438497 /nfs/dbraw/zinc/43/84/97/1074438497.db2.gz VMCQEUITGALPIU-WBVHZDCISA-N 2 2 403.531 0.302 20 0 HCADLP Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438940 1074438490 /nfs/dbraw/zinc/43/84/90/1074438490.db2.gz VMCQEUITGALPIU-WBVHZDCISA-N 2 2 403.531 0.302 20 0 HCADLP Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439122 1074437841 /nfs/dbraw/zinc/43/78/41/1074437841.db2.gz CPTNRARFLQCUNQ-DOTOQJQBSA-N 2 2 403.531 0.383 20 0 HCADLP Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439122 1074437836 /nfs/dbraw/zinc/43/78/36/1074437836.db2.gz CPTNRARFLQCUNQ-DOTOQJQBSA-N 2 2 403.531 0.383 20 0 HCADLP Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439123 1074437587 /nfs/dbraw/zinc/43/75/87/1074437587.db2.gz CPTNRARFLQCUNQ-NVXWUHKLSA-N 2 2 403.531 0.383 20 0 HCADLP Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439123 1074437576 /nfs/dbraw/zinc/43/75/76/1074437576.db2.gz CPTNRARFLQCUNQ-NVXWUHKLSA-N 2 2 403.531 0.383 20 0 HCADLP Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439124 1074437553 /nfs/dbraw/zinc/43/75/53/1074437553.db2.gz CPTNRARFLQCUNQ-RDJZCZTQSA-N 2 2 403.531 0.383 20 0 HCADLP Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439124 1074437547 /nfs/dbraw/zinc/43/75/47/1074437547.db2.gz CPTNRARFLQCUNQ-RDJZCZTQSA-N 2 2 403.531 0.383 20 0 HCADLP Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439125 1074437883 /nfs/dbraw/zinc/43/78/83/1074437883.db2.gz CPTNRARFLQCUNQ-WBVHZDCISA-N 2 2 403.531 0.383 20 0 HCADLP Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439125 1074437877 /nfs/dbraw/zinc/43/78/77/1074437877.db2.gz CPTNRARFLQCUNQ-WBVHZDCISA-N 2 2 403.531 0.383 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439237 1074437447 /nfs/dbraw/zinc/43/74/47/1074437447.db2.gz MUQIRDQLLYPGES-IIDMSEBBSA-N 2 2 403.531 0.382 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439237 1074437442 /nfs/dbraw/zinc/43/74/42/1074437442.db2.gz MUQIRDQLLYPGES-IIDMSEBBSA-N 2 2 403.531 0.382 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439238 1074437782 /nfs/dbraw/zinc/43/77/82/1074437782.db2.gz MUQIRDQLLYPGES-RKVPGOIHSA-N 2 2 403.531 0.382 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439238 1074437768 /nfs/dbraw/zinc/43/77/68/1074437768.db2.gz MUQIRDQLLYPGES-RKVPGOIHSA-N 2 2 403.531 0.382 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439239 1074437644 /nfs/dbraw/zinc/43/76/44/1074437644.db2.gz MUQIRDQLLYPGES-RVKKMQEKSA-N 2 2 403.531 0.382 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439239 1074437640 /nfs/dbraw/zinc/43/76/40/1074437640.db2.gz MUQIRDQLLYPGES-RVKKMQEKSA-N 2 2 403.531 0.382 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439240 1074437494 /nfs/dbraw/zinc/43/74/94/1074437494.db2.gz MUQIRDQLLYPGES-VKJFTORMSA-N 2 2 403.531 0.382 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439240 1074437486 /nfs/dbraw/zinc/43/74/86/1074437486.db2.gz MUQIRDQLLYPGES-VKJFTORMSA-N 2 2 403.531 0.382 20 0 HCADLP C[NH+]1CCC(CNC(=O)COc2ccc(S(N)(=O)=O)cc2)([NH+]2CCCCC2)CC1 ZINC000608474009 1074441165 /nfs/dbraw/zinc/44/11/65/1074441165.db2.gz OFZMKOXFOIBVKB-UHFFFAOYSA-N 2 2 424.567 0.779 20 0 HCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000608515905 1074451518 /nfs/dbraw/zinc/45/15/18/1074451518.db2.gz XFAMQHHZKUXDKE-GOSISDBHSA-N 2 2 403.527 0.462 20 0 HCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000608515905 1074451508 /nfs/dbraw/zinc/45/15/08/1074451508.db2.gz XFAMQHHZKUXDKE-GOSISDBHSA-N 2 2 403.527 0.462 20 0 HCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000608515905 1074451503 /nfs/dbraw/zinc/45/15/03/1074451503.db2.gz XFAMQHHZKUXDKE-GOSISDBHSA-N 2 2 403.527 0.462 20 0 HCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000608515905 1074451489 /nfs/dbraw/zinc/45/14/89/1074451489.db2.gz XFAMQHHZKUXDKE-GOSISDBHSA-N 2 2 403.527 0.462 20 0 HCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000608515906 1074451780 /nfs/dbraw/zinc/45/17/80/1074451780.db2.gz XFAMQHHZKUXDKE-SFHVURJKSA-N 2 2 403.527 0.462 20 0 HCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000608515906 1074451771 /nfs/dbraw/zinc/45/17/71/1074451771.db2.gz XFAMQHHZKUXDKE-SFHVURJKSA-N 2 2 403.527 0.462 20 0 HCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000608515906 1074451760 /nfs/dbraw/zinc/45/17/60/1074451760.db2.gz XFAMQHHZKUXDKE-SFHVURJKSA-N 2 2 403.527 0.462 20 0 HCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000608515906 1074451747 /nfs/dbraw/zinc/45/17/47/1074451747.db2.gz XFAMQHHZKUXDKE-SFHVURJKSA-N 2 2 403.527 0.462 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000608521244 1074461775 /nfs/dbraw/zinc/46/17/75/1074461775.db2.gz DPTVYAXISPLRHU-GOSISDBHSA-N 2 2 413.522 0.756 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000608521244 1074461770 /nfs/dbraw/zinc/46/17/70/1074461770.db2.gz DPTVYAXISPLRHU-GOSISDBHSA-N 2 2 413.522 0.756 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000608521245 1074461462 /nfs/dbraw/zinc/46/14/62/1074461462.db2.gz DPTVYAXISPLRHU-SFHVURJKSA-N 2 2 413.522 0.756 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000608521245 1074461449 /nfs/dbraw/zinc/46/14/49/1074461449.db2.gz DPTVYAXISPLRHU-SFHVURJKSA-N 2 2 413.522 0.756 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000608525245 1074462984 /nfs/dbraw/zinc/46/29/84/1074462984.db2.gz WYMYFKUEXNOULR-CVEARBPZSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000608525245 1074462980 /nfs/dbraw/zinc/46/29/80/1074462980.db2.gz WYMYFKUEXNOULR-CVEARBPZSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000608525246 1074462952 /nfs/dbraw/zinc/46/29/52/1074462952.db2.gz WYMYFKUEXNOULR-HOTGVXAUSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000608525246 1074462950 /nfs/dbraw/zinc/46/29/50/1074462950.db2.gz WYMYFKUEXNOULR-HOTGVXAUSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000608525247 1074463099 /nfs/dbraw/zinc/46/30/99/1074463099.db2.gz WYMYFKUEXNOULR-HZPDHXFCSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000608525247 1074463095 /nfs/dbraw/zinc/46/30/95/1074463095.db2.gz WYMYFKUEXNOULR-HZPDHXFCSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000608525248 1074463028 /nfs/dbraw/zinc/46/30/28/1074463028.db2.gz WYMYFKUEXNOULR-JKSUJKDBSA-N 2 2 401.511 0.612 20 0 HCADLP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000608525248 1074463023 /nfs/dbraw/zinc/46/30/23/1074463023.db2.gz WYMYFKUEXNOULR-JKSUJKDBSA-N 2 2 401.511 0.612 20 0 HCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608526111 1074463731 /nfs/dbraw/zinc/46/37/31/1074463731.db2.gz BADCPLGZAOEHJI-UHFFFAOYSA-N 2 2 419.526 0.097 20 0 HCADLP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608526111 1074463729 /nfs/dbraw/zinc/46/37/29/1074463729.db2.gz BADCPLGZAOEHJI-UHFFFAOYSA-N 2 2 419.526 0.097 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000608532336 1074454175 /nfs/dbraw/zinc/45/41/75/1074454175.db2.gz KBPSHTQRTVBIDD-KRWDZBQOSA-N 2 2 411.506 0.485 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000608532339 1074454054 /nfs/dbraw/zinc/45/40/54/1074454054.db2.gz KBPSHTQRTVBIDD-QGZVFWFLSA-N 2 2 411.506 0.485 20 0 HCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608547823 1074459674 /nfs/dbraw/zinc/45/96/74/1074459674.db2.gz GTZXRVWPJGHGQZ-KRWDZBQOSA-N 2 2 415.538 0.955 20 0 HCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608547824 1074459640 /nfs/dbraw/zinc/45/96/40/1074459640.db2.gz GTZXRVWPJGHGQZ-QGZVFWFLSA-N 2 2 415.538 0.955 20 0 HCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608548857 1074459401 /nfs/dbraw/zinc/45/94/01/1074459401.db2.gz NVWPCGGTFHRRNS-KRWDZBQOSA-N 2 2 415.538 0.813 20 0 HCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608548857 1074459393 /nfs/dbraw/zinc/45/93/93/1074459393.db2.gz NVWPCGGTFHRRNS-KRWDZBQOSA-N 2 2 415.538 0.813 20 0 HCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608548858 1074459626 /nfs/dbraw/zinc/45/96/26/1074459626.db2.gz NVWPCGGTFHRRNS-QGZVFWFLSA-N 2 2 415.538 0.813 20 0 HCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608548858 1074459619 /nfs/dbraw/zinc/45/96/19/1074459619.db2.gz NVWPCGGTFHRRNS-QGZVFWFLSA-N 2 2 415.538 0.813 20 0 HCADLP C[C@@H](CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000608637480 1074476971 /nfs/dbraw/zinc/47/69/71/1074476971.db2.gz QDAXIYINAKMIRH-FQEVSTJZSA-N 2 2 402.587 0.991 20 0 HCADLP C[C@H](CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000608637481 1074476883 /nfs/dbraw/zinc/47/68/83/1074476883.db2.gz QDAXIYINAKMIRH-HXUWFJFHSA-N 2 2 402.587 0.991 20 0 HCADLP CN(CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)S(C)(=O)=O ZINC000608640153 1074477568 /nfs/dbraw/zinc/47/75/68/1074477568.db2.gz NOHZARICUVJBCN-UHFFFAOYSA-N 2 2 403.593 0.517 20 0 HCADLP C[NH+]1CCC(CNC(=O)NCCCN2CCCS2(=O)=O)([NH+]2CCCCC2)CC1 ZINC000608664703 1074482709 /nfs/dbraw/zinc/48/27/09/1074482709.db2.gz LUXGNDSJCOMDDC-UHFFFAOYSA-N 2 2 415.604 0.662 20 0 HCADLP C[NH+]1CCC(CNC(=O)NCC(C)(C)NS(C)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000608676332 1074484115 /nfs/dbraw/zinc/48/41/15/1074484115.db2.gz FDJCIQZNCKGBED-UHFFFAOYSA-N 2 2 403.593 0.564 20 0 HCADLP CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000608685869 1074486196 /nfs/dbraw/zinc/48/61/96/1074486196.db2.gz GUVJZWKHYQZJSO-GOSISDBHSA-N 2 2 408.591 0.351 20 0 HCADLP CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000608685869 1074486186 /nfs/dbraw/zinc/48/61/86/1074486186.db2.gz GUVJZWKHYQZJSO-GOSISDBHSA-N 2 2 408.591 0.351 20 0 HCADLP CCN(CC)C(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000608685870 1074486143 /nfs/dbraw/zinc/48/61/43/1074486143.db2.gz GUVJZWKHYQZJSO-SFHVURJKSA-N 2 2 408.591 0.351 20 0 HCADLP CCN(CC)C(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000608685870 1074486137 /nfs/dbraw/zinc/48/61/37/1074486137.db2.gz GUVJZWKHYQZJSO-SFHVURJKSA-N 2 2 408.591 0.351 20 0 HCADLP CC(C)OCCOC[C@@H](O)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608686691 1074486113 /nfs/dbraw/zinc/48/61/13/1074486113.db2.gz RVMUSOSPRHAXFZ-HKUYNNGSSA-N 2 2 400.564 0.599 20 0 HCADLP CC(C)OCCOC[C@@H](O)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608686691 1074486107 /nfs/dbraw/zinc/48/61/07/1074486107.db2.gz RVMUSOSPRHAXFZ-HKUYNNGSSA-N 2 2 400.564 0.599 20 0 HCADLP CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608686692 1074486052 /nfs/dbraw/zinc/48/60/52/1074486052.db2.gz RVMUSOSPRHAXFZ-IEBWSBKVSA-N 2 2 400.564 0.599 20 0 HCADLP CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608686692 1074486046 /nfs/dbraw/zinc/48/60/46/1074486046.db2.gz RVMUSOSPRHAXFZ-IEBWSBKVSA-N 2 2 400.564 0.599 20 0 HCADLP CC(C)OCCOC[C@@H](O)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608686693 1074486405 /nfs/dbraw/zinc/48/64/05/1074486405.db2.gz RVMUSOSPRHAXFZ-MJGOQNOKSA-N 2 2 400.564 0.599 20 0 HCADLP CC(C)OCCOC[C@@H](O)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608686693 1074486397 /nfs/dbraw/zinc/48/63/97/1074486397.db2.gz RVMUSOSPRHAXFZ-MJGOQNOKSA-N 2 2 400.564 0.599 20 0 HCADLP CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608686694 1074486304 /nfs/dbraw/zinc/48/63/04/1074486304.db2.gz RVMUSOSPRHAXFZ-PKOBYXMFSA-N 2 2 400.564 0.599 20 0 HCADLP CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608686694 1074486302 /nfs/dbraw/zinc/48/63/02/1074486302.db2.gz RVMUSOSPRHAXFZ-PKOBYXMFSA-N 2 2 400.564 0.599 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000608687200 1074487057 /nfs/dbraw/zinc/48/70/57/1074487057.db2.gz BJILOXURDVQLJX-PMACEKPBSA-N 2 2 409.575 0.289 20 0 HCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000608687200 1074487048 /nfs/dbraw/zinc/48/70/48/1074487048.db2.gz BJILOXURDVQLJX-PMACEKPBSA-N 2 2 409.575 0.289 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000608687201 1074487315 /nfs/dbraw/zinc/48/73/15/1074487315.db2.gz BJILOXURDVQLJX-UXHICEINSA-N 2 2 409.575 0.289 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000608687201 1074487312 /nfs/dbraw/zinc/48/73/12/1074487312.db2.gz BJILOXURDVQLJX-UXHICEINSA-N 2 2 409.575 0.289 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000608687203 1074487191 /nfs/dbraw/zinc/48/71/91/1074487191.db2.gz BJILOXURDVQLJX-WOJBJXKFSA-N 2 2 409.575 0.289 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000608687203 1074487188 /nfs/dbraw/zinc/48/71/88/1074487188.db2.gz BJILOXURDVQLJX-WOJBJXKFSA-N 2 2 409.575 0.289 20 0 HCADLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000608698369 1074489661 /nfs/dbraw/zinc/48/96/61/1074489661.db2.gz OHNDIIAAAKLGAG-KRWDZBQOSA-N 2 2 403.531 0.629 20 0 HCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000608698369 1074489651 /nfs/dbraw/zinc/48/96/51/1074489651.db2.gz OHNDIIAAAKLGAG-KRWDZBQOSA-N 2 2 403.531 0.629 20 0 HCADLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000608698369 1074489642 /nfs/dbraw/zinc/48/96/42/1074489642.db2.gz OHNDIIAAAKLGAG-KRWDZBQOSA-N 2 2 403.531 0.629 20 0 HCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000608698369 1074489629 /nfs/dbraw/zinc/48/96/29/1074489629.db2.gz OHNDIIAAAKLGAG-KRWDZBQOSA-N 2 2 403.531 0.629 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000608698370 1074489574 /nfs/dbraw/zinc/48/95/74/1074489574.db2.gz OHNDIIAAAKLGAG-QGZVFWFLSA-N 2 2 403.531 0.629 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000608698370 1074489566 /nfs/dbraw/zinc/48/95/66/1074489566.db2.gz OHNDIIAAAKLGAG-QGZVFWFLSA-N 2 2 403.531 0.629 20 0 HCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000608698370 1074489562 /nfs/dbraw/zinc/48/95/62/1074489562.db2.gz OHNDIIAAAKLGAG-QGZVFWFLSA-N 2 2 403.531 0.629 20 0 HCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000608698370 1074489553 /nfs/dbraw/zinc/48/95/53/1074489553.db2.gz OHNDIIAAAKLGAG-QGZVFWFLSA-N 2 2 403.531 0.629 20 0 HCADLP COCC(=O)NC1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000608718869 1074485020 /nfs/dbraw/zinc/48/50/20/1074485020.db2.gz AIIWAAZPNGVFGY-UHFFFAOYSA-N 2 2 409.575 0.873 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736791 1074499649 /nfs/dbraw/zinc/49/96/49/1074499649.db2.gz VJVYFGRBDJNMRX-CRAIPNDOSA-N 2 2 405.547 0.581 20 0 HCADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736791 1074499639 /nfs/dbraw/zinc/49/96/39/1074499639.db2.gz VJVYFGRBDJNMRX-CRAIPNDOSA-N 2 2 405.547 0.581 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736796 1074499750 /nfs/dbraw/zinc/49/97/50/1074499750.db2.gz VJVYFGRBDJNMRX-MAUKXSAKSA-N 2 2 405.547 0.581 20 0 HCADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736796 1074499741 /nfs/dbraw/zinc/49/97/41/1074499741.db2.gz VJVYFGRBDJNMRX-MAUKXSAKSA-N 2 2 405.547 0.581 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736798 1074499883 /nfs/dbraw/zinc/49/98/83/1074499883.db2.gz VJVYFGRBDJNMRX-QAPCUYQASA-N 2 2 405.547 0.581 20 0 HCADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736798 1074499875 /nfs/dbraw/zinc/49/98/75/1074499875.db2.gz VJVYFGRBDJNMRX-QAPCUYQASA-N 2 2 405.547 0.581 20 0 HCADLP C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736800 1074499810 /nfs/dbraw/zinc/49/98/10/1074499810.db2.gz VJVYFGRBDJNMRX-YJBOKZPZSA-N 2 2 405.547 0.581 20 0 HCADLP C[C@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736800 1074499797 /nfs/dbraw/zinc/49/97/97/1074499797.db2.gz VJVYFGRBDJNMRX-YJBOKZPZSA-N 2 2 405.547 0.581 20 0 HCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000608776343 1074502900 /nfs/dbraw/zinc/50/29/00/1074502900.db2.gz UFNNOYMGDLMYTL-UHFFFAOYSA-N 2 2 418.542 0.267 20 0 HCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609156978 1077284164 /nfs/dbraw/zinc/28/41/64/1077284164.db2.gz ABIDKMQZSFMITO-HKUYNNGSSA-N 2 2 405.495 0.627 20 0 HCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609156978 1077284155 /nfs/dbraw/zinc/28/41/55/1077284155.db2.gz ABIDKMQZSFMITO-HKUYNNGSSA-N 2 2 405.495 0.627 20 0 HCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609156979 1077284371 /nfs/dbraw/zinc/28/43/71/1077284371.db2.gz ABIDKMQZSFMITO-IEBWSBKVSA-N 2 2 405.495 0.627 20 0 HCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609156979 1077284360 /nfs/dbraw/zinc/28/43/60/1077284360.db2.gz ABIDKMQZSFMITO-IEBWSBKVSA-N 2 2 405.495 0.627 20 0 HCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609156980 1077284446 /nfs/dbraw/zinc/28/44/46/1077284446.db2.gz ABIDKMQZSFMITO-MJGOQNOKSA-N 2 2 405.495 0.627 20 0 HCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609156980 1077284441 /nfs/dbraw/zinc/28/44/41/1077284441.db2.gz ABIDKMQZSFMITO-MJGOQNOKSA-N 2 2 405.495 0.627 20 0 HCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609156981 1077284234 /nfs/dbraw/zinc/28/42/34/1077284234.db2.gz ABIDKMQZSFMITO-PKOBYXMFSA-N 2 2 405.495 0.627 20 0 HCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609156981 1077284226 /nfs/dbraw/zinc/28/42/26/1077284226.db2.gz ABIDKMQZSFMITO-PKOBYXMFSA-N 2 2 405.495 0.627 20 0 HCADLP CN(C(=O)c1ccc([S@@](C)=O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000609266904 1078337950 /nfs/dbraw/zinc/33/79/50/1078337950.db2.gz KKESOVDEUVFEJK-GDLZYMKVSA-N 2 2 420.579 0.734 20 0 HCADLP CN(C(=O)c1ccc([S@](C)=O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000609266906 1078337895 /nfs/dbraw/zinc/33/78/95/1078337895.db2.gz KKESOVDEUVFEJK-LJAQVGFWSA-N 2 2 420.579 0.734 20 0 HCADLP COC(=O)c1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000609266931 1078335132 /nfs/dbraw/zinc/33/51/32/1078335132.db2.gz MTNWFRGQBQVMCO-UHFFFAOYSA-N 2 2 416.522 0.784 20 0 HCADLP COC(=O)c1cccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000609267231 1078336524 /nfs/dbraw/zinc/33/65/24/1078336524.db2.gz YIDBAHOYYUIIRU-UHFFFAOYSA-N 2 2 416.522 0.784 20 0 HCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000609291139 1078669541 /nfs/dbraw/zinc/66/95/41/1078669541.db2.gz LWZBFCSJXZLSCU-IBGZPJMESA-N 2 2 408.591 0.398 20 0 HCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000609291140 1078669605 /nfs/dbraw/zinc/66/96/05/1078669605.db2.gz LWZBFCSJXZLSCU-LJQANCHMSA-N 2 2 408.591 0.398 20 0 HCADLP COC(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000609353209 1079248457 /nfs/dbraw/zinc/24/84/57/1079248457.db2.gz QKPCBGYQNNJGDZ-UHFFFAOYSA-N 2 2 408.480 0.952 20 0 HCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC(=O)NCc3ccco3)CC2)CC1 ZINC000609417828 1079259945 /nfs/dbraw/zinc/25/99/45/1079259945.db2.gz HNPBKCTXFYGHEA-UHFFFAOYSA-N 2 2 419.526 0.872 20 0 HCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559236 1078475456 /nfs/dbraw/zinc/47/54/56/1078475456.db2.gz CPIWXVBKTXMUKC-DLBZAZTESA-N 2 2 420.645 0.674 20 0 HCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559236 1078475453 /nfs/dbraw/zinc/47/54/53/1078475453.db2.gz CPIWXVBKTXMUKC-DLBZAZTESA-N 2 2 420.645 0.674 20 0 HCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559237 1078475524 /nfs/dbraw/zinc/47/55/24/1078475524.db2.gz CPIWXVBKTXMUKC-IAGOWNOFSA-N 2 2 420.645 0.674 20 0 HCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559237 1078475522 /nfs/dbraw/zinc/47/55/22/1078475522.db2.gz CPIWXVBKTXMUKC-IAGOWNOFSA-N 2 2 420.645 0.674 20 0 HCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559238 1078475427 /nfs/dbraw/zinc/47/54/27/1078475427.db2.gz CPIWXVBKTXMUKC-IRXDYDNUSA-N 2 2 420.645 0.674 20 0 HCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559238 1078475422 /nfs/dbraw/zinc/47/54/22/1078475422.db2.gz CPIWXVBKTXMUKC-IRXDYDNUSA-N 2 2 420.645 0.674 20 0 HCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559239 1078475472 /nfs/dbraw/zinc/47/54/72/1078475472.db2.gz CPIWXVBKTXMUKC-SJORKVTESA-N 2 2 420.645 0.674 20 0 HCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559239 1078475471 /nfs/dbraw/zinc/47/54/71/1078475471.db2.gz CPIWXVBKTXMUKC-SJORKVTESA-N 2 2 420.645 0.674 20 0 HCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571768 1078479227 /nfs/dbraw/zinc/47/92/27/1078479227.db2.gz ISRQCOZCKBHDER-GDBMZVCRSA-N 2 2 406.618 0.332 20 0 HCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571768 1078479224 /nfs/dbraw/zinc/47/92/24/1078479224.db2.gz ISRQCOZCKBHDER-GDBMZVCRSA-N 2 2 406.618 0.332 20 0 HCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571769 1078479042 /nfs/dbraw/zinc/47/90/42/1078479042.db2.gz ISRQCOZCKBHDER-GOEBONIOSA-N 2 2 406.618 0.332 20 0 HCADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571769 1078479038 /nfs/dbraw/zinc/47/90/38/1078479038.db2.gz ISRQCOZCKBHDER-GOEBONIOSA-N 2 2 406.618 0.332 20 0 HCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571770 1078479118 /nfs/dbraw/zinc/47/91/18/1078479118.db2.gz ISRQCOZCKBHDER-HOCLYGCPSA-N 2 2 406.618 0.332 20 0 HCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571770 1078479114 /nfs/dbraw/zinc/47/91/14/1078479114.db2.gz ISRQCOZCKBHDER-HOCLYGCPSA-N 2 2 406.618 0.332 20 0 HCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571771 1078479188 /nfs/dbraw/zinc/47/91/88/1078479188.db2.gz ISRQCOZCKBHDER-ZBFHGGJFSA-N 2 2 406.618 0.332 20 0 HCADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571771 1078479180 /nfs/dbraw/zinc/47/91/80/1078479180.db2.gz ISRQCOZCKBHDER-ZBFHGGJFSA-N 2 2 406.618 0.332 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615244341 1078642919 /nfs/dbraw/zinc/64/29/19/1078642919.db2.gz HOFRXPUSLDBCFS-KRWDZBQOSA-N 2 2 419.526 0.767 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615244341 1078642916 /nfs/dbraw/zinc/64/29/16/1078642916.db2.gz HOFRXPUSLDBCFS-KRWDZBQOSA-N 2 2 419.526 0.767 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615244342 1078643026 /nfs/dbraw/zinc/64/30/26/1078643026.db2.gz HOFRXPUSLDBCFS-QGZVFWFLSA-N 2 2 419.526 0.767 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615244342 1078643022 /nfs/dbraw/zinc/64/30/22/1078643022.db2.gz HOFRXPUSLDBCFS-QGZVFWFLSA-N 2 2 419.526 0.767 20 0 HCADLP CN(C(=O)C(=O)Nc1cccc([S@](C)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615244387 1078641709 /nfs/dbraw/zinc/64/17/09/1078641709.db2.gz NSIAZGYIWPJKTJ-HPGBDJQBSA-N 2 2 406.552 0.989 20 0 HCADLP CN(C(=O)C(=O)Nc1cccc([S@](C)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615244387 1078641707 /nfs/dbraw/zinc/64/17/07/1078641707.db2.gz NSIAZGYIWPJKTJ-HPGBDJQBSA-N 2 2 406.552 0.989 20 0 HCADLP CN(C(=O)C(=O)Nc1cccc([S@@](C)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615244388 1078641645 /nfs/dbraw/zinc/64/16/45/1078641645.db2.gz NSIAZGYIWPJKTJ-JYRCXFKTSA-N 2 2 406.552 0.989 20 0 HCADLP CN(C(=O)C(=O)Nc1cccc([S@@](C)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615244388 1078641642 /nfs/dbraw/zinc/64/16/42/1078641642.db2.gz NSIAZGYIWPJKTJ-JYRCXFKTSA-N 2 2 406.552 0.989 20 0 HCADLP CN(C(=O)C(=O)Nc1cccc([S@](C)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615244389 1078641758 /nfs/dbraw/zinc/64/17/58/1078641758.db2.gz NSIAZGYIWPJKTJ-UULLZXFKSA-N 2 2 406.552 0.989 20 0 HCADLP CN(C(=O)C(=O)Nc1cccc([S@](C)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615244389 1078641753 /nfs/dbraw/zinc/64/17/53/1078641753.db2.gz NSIAZGYIWPJKTJ-UULLZXFKSA-N 2 2 406.552 0.989 20 0 HCADLP CN(C(=O)C(=O)Nc1cccc([S@@](C)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615244390 1078641735 /nfs/dbraw/zinc/64/17/35/1078641735.db2.gz NSIAZGYIWPJKTJ-YMGMXPECSA-N 2 2 406.552 0.989 20 0 HCADLP CN(C(=O)C(=O)Nc1cccc([S@@](C)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615244390 1078641731 /nfs/dbraw/zinc/64/17/31/1078641731.db2.gz NSIAZGYIWPJKTJ-YMGMXPECSA-N 2 2 406.552 0.989 20 0 HCADLP COC(=O)Cc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615244404 1078641603 /nfs/dbraw/zinc/64/16/03/1078641603.db2.gz POWXDMCUFQODPW-GOSISDBHSA-N 2 2 416.522 0.968 20 0 HCADLP COC(=O)Cc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615244404 1078641599 /nfs/dbraw/zinc/64/15/99/1078641599.db2.gz POWXDMCUFQODPW-GOSISDBHSA-N 2 2 416.522 0.968 20 0 HCADLP COC(=O)Cc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615244405 1078641788 /nfs/dbraw/zinc/64/17/88/1078641788.db2.gz POWXDMCUFQODPW-SFHVURJKSA-N 2 2 416.522 0.968 20 0 HCADLP COC(=O)Cc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615244405 1078641780 /nfs/dbraw/zinc/64/17/80/1078641780.db2.gz POWXDMCUFQODPW-SFHVURJKSA-N 2 2 416.522 0.968 20 0 HCADLP COC(=O)Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615244435 1078642448 /nfs/dbraw/zinc/64/24/48/1078642448.db2.gz SNGPAGKMMQHAAQ-IBGZPJMESA-N 2 2 416.522 0.968 20 0 HCADLP COC(=O)Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615244435 1078642443 /nfs/dbraw/zinc/64/24/43/1078642443.db2.gz SNGPAGKMMQHAAQ-IBGZPJMESA-N 2 2 416.522 0.968 20 0 HCADLP COC(=O)Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615244436 1078642392 /nfs/dbraw/zinc/64/23/92/1078642392.db2.gz SNGPAGKMMQHAAQ-LJQANCHMSA-N 2 2 416.522 0.968 20 0 HCADLP COC(=O)Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615244436 1078642388 /nfs/dbraw/zinc/64/23/88/1078642388.db2.gz SNGPAGKMMQHAAQ-LJQANCHMSA-N 2 2 416.522 0.968 20 0 HCADLP COC(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615245951 1078643061 /nfs/dbraw/zinc/64/30/61/1078643061.db2.gz AXPWNVPMLADLIO-INIZCTEOSA-N 2 2 405.499 0.377 20 0 HCADLP COC(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615245951 1078643058 /nfs/dbraw/zinc/64/30/58/1078643058.db2.gz AXPWNVPMLADLIO-INIZCTEOSA-N 2 2 405.499 0.377 20 0 HCADLP COC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615245952 1078642968 /nfs/dbraw/zinc/64/29/68/1078642968.db2.gz AXPWNVPMLADLIO-MRXNPFEDSA-N 2 2 405.499 0.377 20 0 HCADLP COC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615245952 1078642964 /nfs/dbraw/zinc/64/29/64/1078642964.db2.gz AXPWNVPMLADLIO-MRXNPFEDSA-N 2 2 405.499 0.377 20 0 HCADLP COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615246135 1078642898 /nfs/dbraw/zinc/64/28/98/1078642898.db2.gz IYIRVFBHXPYYTJ-HNNXBMFYSA-N 2 2 405.499 0.675 20 0 HCADLP COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615246135 1078642893 /nfs/dbraw/zinc/64/28/93/1078642893.db2.gz IYIRVFBHXPYYTJ-HNNXBMFYSA-N 2 2 405.499 0.675 20 0 HCADLP COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615246138 1078643000 /nfs/dbraw/zinc/64/30/00/1078643000.db2.gz IYIRVFBHXPYYTJ-OAHLLOKOSA-N 2 2 405.499 0.675 20 0 HCADLP COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615246138 1078642995 /nfs/dbraw/zinc/64/29/95/1078642995.db2.gz IYIRVFBHXPYYTJ-OAHLLOKOSA-N 2 2 405.499 0.675 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000615310902 1078654617 /nfs/dbraw/zinc/65/46/17/1078654617.db2.gz AJDDYMWKFKHPCU-HNNXBMFYSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000615310902 1078654613 /nfs/dbraw/zinc/65/46/13/1078654613.db2.gz AJDDYMWKFKHPCU-HNNXBMFYSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000615310903 1078654502 /nfs/dbraw/zinc/65/45/02/1078654502.db2.gz AJDDYMWKFKHPCU-OAHLLOKOSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000615310903 1078654498 /nfs/dbraw/zinc/65/44/98/1078654498.db2.gz AJDDYMWKFKHPCU-OAHLLOKOSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615310925 1078654459 /nfs/dbraw/zinc/65/44/59/1078654459.db2.gz BHMMYKAYEZKGBN-INIZCTEOSA-N 2 2 418.494 0.462 20 0 HCADLP COC(=O)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615310925 1078654458 /nfs/dbraw/zinc/65/44/58/1078654458.db2.gz BHMMYKAYEZKGBN-INIZCTEOSA-N 2 2 418.494 0.462 20 0 HCADLP COC(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615310928 1078654523 /nfs/dbraw/zinc/65/45/23/1078654523.db2.gz BHMMYKAYEZKGBN-MRXNPFEDSA-N 2 2 418.494 0.462 20 0 HCADLP COC(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615310928 1078654521 /nfs/dbraw/zinc/65/45/21/1078654521.db2.gz BHMMYKAYEZKGBN-MRXNPFEDSA-N 2 2 418.494 0.462 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615310974 1078653691 /nfs/dbraw/zinc/65/36/91/1078653691.db2.gz DFAHCQBVOKROGX-AWEZNQCLSA-N 2 2 405.499 0.425 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615310974 1078653684 /nfs/dbraw/zinc/65/36/84/1078653684.db2.gz DFAHCQBVOKROGX-AWEZNQCLSA-N 2 2 405.499 0.425 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615310975 1078653855 /nfs/dbraw/zinc/65/38/55/1078653855.db2.gz DFAHCQBVOKROGX-CQSZACIVSA-N 2 2 405.499 0.425 20 0 HCADLP CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000615310975 1078653852 /nfs/dbraw/zinc/65/38/52/1078653852.db2.gz DFAHCQBVOKROGX-CQSZACIVSA-N 2 2 405.499 0.425 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000615311059 1078653839 /nfs/dbraw/zinc/65/38/39/1078653839.db2.gz FXUQMJQCWHHBCX-AWEZNQCLSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000615311059 1078653836 /nfs/dbraw/zinc/65/38/36/1078653836.db2.gz FXUQMJQCWHHBCX-AWEZNQCLSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000615311062 1078653871 /nfs/dbraw/zinc/65/38/71/1078653871.db2.gz FXUQMJQCWHHBCX-CQSZACIVSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000615311062 1078653868 /nfs/dbraw/zinc/65/38/68/1078653868.db2.gz FXUQMJQCWHHBCX-CQSZACIVSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1c(F)cccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311082 1078653790 /nfs/dbraw/zinc/65/37/90/1078653790.db2.gz GSKKUWJZXAIROT-CYBMUJFWSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1c(F)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311082 1078653786 /nfs/dbraw/zinc/65/37/86/1078653786.db2.gz GSKKUWJZXAIROT-CYBMUJFWSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1c(F)cccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311085 1078653812 /nfs/dbraw/zinc/65/38/12/1078653812.db2.gz GSKKUWJZXAIROT-ZDUSSCGKSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1c(F)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311085 1078653806 /nfs/dbraw/zinc/65/38/06/1078653806.db2.gz GSKKUWJZXAIROT-ZDUSSCGKSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)cc1F ZINC000615311097 1078653525 /nfs/dbraw/zinc/65/35/25/1078653525.db2.gz HDURBFHGWCQVEL-GFCCVEGCSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)cc1F ZINC000615311097 1078653517 /nfs/dbraw/zinc/65/35/17/1078653517.db2.gz HDURBFHGWCQVEL-GFCCVEGCSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)cc1F ZINC000615311099 1078653725 /nfs/dbraw/zinc/65/37/25/1078653725.db2.gz HDURBFHGWCQVEL-LBPRGKRZSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)cc1F ZINC000615311099 1078653719 /nfs/dbraw/zinc/65/37/19/1078653719.db2.gz HDURBFHGWCQVEL-LBPRGKRZSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615311480 1078655832 /nfs/dbraw/zinc/65/58/32/1078655832.db2.gz KYNIACYVSQDZEG-AWEZNQCLSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615311480 1078655825 /nfs/dbraw/zinc/65/58/25/1078655825.db2.gz KYNIACYVSQDZEG-AWEZNQCLSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615311481 1078655639 /nfs/dbraw/zinc/65/56/39/1078655639.db2.gz KYNIACYVSQDZEG-CQSZACIVSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615311481 1078655636 /nfs/dbraw/zinc/65/56/36/1078655636.db2.gz KYNIACYVSQDZEG-CQSZACIVSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311504 1078655917 /nfs/dbraw/zinc/65/59/17/1078655917.db2.gz MNIKFKDOBXSTSO-GFCCVEGCSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311504 1078655911 /nfs/dbraw/zinc/65/59/11/1078655911.db2.gz MNIKFKDOBXSTSO-GFCCVEGCSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311505 1078655714 /nfs/dbraw/zinc/65/57/14/1078655714.db2.gz MNIKFKDOBXSTSO-LBPRGKRZSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311505 1078655710 /nfs/dbraw/zinc/65/57/10/1078655710.db2.gz MNIKFKDOBXSTSO-LBPRGKRZSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000615311557 1078655267 /nfs/dbraw/zinc/65/52/67/1078655267.db2.gz POLDYZKDSACMLZ-AWEZNQCLSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000615311557 1078655265 /nfs/dbraw/zinc/65/52/65/1078655265.db2.gz POLDYZKDSACMLZ-AWEZNQCLSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000615311559 1078655296 /nfs/dbraw/zinc/65/52/96/1078655296.db2.gz POLDYZKDSACMLZ-CQSZACIVSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000615311559 1078655291 /nfs/dbraw/zinc/65/52/91/1078655291.db2.gz POLDYZKDSACMLZ-CQSZACIVSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311622 1078653228 /nfs/dbraw/zinc/65/32/28/1078653228.db2.gz RFNSYDSCDMNICG-AWEZNQCLSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311622 1078653226 /nfs/dbraw/zinc/65/32/26/1078653226.db2.gz RFNSYDSCDMNICG-AWEZNQCLSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311623 1078653131 /nfs/dbraw/zinc/65/31/31/1078653131.db2.gz RFNSYDSCDMNICG-CQSZACIVSA-N 2 2 406.458 0.836 20 0 HCADLP COC(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311623 1078653128 /nfs/dbraw/zinc/65/31/28/1078653128.db2.gz RFNSYDSCDMNICG-CQSZACIVSA-N 2 2 406.458 0.836 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2)CC1 ZINC000615311816 1078655146 /nfs/dbraw/zinc/65/51/46/1078655146.db2.gz TYIWYYDXAMNLSB-GMYLUUGSSA-N 2 2 410.515 0.786 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2)CC1 ZINC000615311816 1078655136 /nfs/dbraw/zinc/65/51/36/1078655136.db2.gz TYIWYYDXAMNLSB-GMYLUUGSSA-N 2 2 410.515 0.786 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2)CC1 ZINC000615311817 1078655319 /nfs/dbraw/zinc/65/53/19/1078655319.db2.gz TYIWYYDXAMNLSB-HJFSHJIFSA-N 2 2 410.515 0.786 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2)CC1 ZINC000615311817 1078655315 /nfs/dbraw/zinc/65/53/15/1078655315.db2.gz TYIWYYDXAMNLSB-HJFSHJIFSA-N 2 2 410.515 0.786 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc([S@](C)=O)c(F)c3)C2)CC1 ZINC000615311818 1078654592 /nfs/dbraw/zinc/65/45/92/1078654592.db2.gz TYIWYYDXAMNLSB-POXGOYDTSA-N 2 2 410.515 0.786 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc([S@](C)=O)c(F)c3)C2)CC1 ZINC000615311818 1078654590 /nfs/dbraw/zinc/65/45/90/1078654590.db2.gz TYIWYYDXAMNLSB-POXGOYDTSA-N 2 2 410.515 0.786 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc([S@](C)=O)c(F)c3)C2)CC1 ZINC000615311819 1078654400 /nfs/dbraw/zinc/65/44/00/1078654400.db2.gz TYIWYYDXAMNLSB-SUMNFNSASA-N 2 2 410.515 0.786 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc([S@](C)=O)c(F)c3)C2)CC1 ZINC000615311819 1078654394 /nfs/dbraw/zinc/65/43/94/1078654394.db2.gz TYIWYYDXAMNLSB-SUMNFNSASA-N 2 2 410.515 0.786 20 0 HCADLP COC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000615311820 1078654577 /nfs/dbraw/zinc/65/45/77/1078654577.db2.gz UAGHIHOXGHLBRO-KRWDZBQOSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000615311820 1078654574 /nfs/dbraw/zinc/65/45/74/1078654574.db2.gz UAGHIHOXGHLBRO-KRWDZBQOSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000615311821 1078654382 /nfs/dbraw/zinc/65/43/82/1078654382.db2.gz UAGHIHOXGHLBRO-QGZVFWFLSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000615311821 1078654380 /nfs/dbraw/zinc/65/43/80/1078654380.db2.gz UAGHIHOXGHLBRO-QGZVFWFLSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000615311848 1078654446 /nfs/dbraw/zinc/65/44/46/1078654446.db2.gz WVKTVBYVOHDIPL-INIZCTEOSA-N 2 2 418.494 0.462 20 0 HCADLP COC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000615311848 1078654442 /nfs/dbraw/zinc/65/44/42/1078654442.db2.gz WVKTVBYVOHDIPL-INIZCTEOSA-N 2 2 418.494 0.462 20 0 HCADLP COC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000615311849 1078654535 /nfs/dbraw/zinc/65/45/35/1078654535.db2.gz WVKTVBYVOHDIPL-MRXNPFEDSA-N 2 2 418.494 0.462 20 0 HCADLP COC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000615311849 1078654533 /nfs/dbraw/zinc/65/45/33/1078654533.db2.gz WVKTVBYVOHDIPL-MRXNPFEDSA-N 2 2 418.494 0.462 20 0 HCADLP COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311850 1078654564 /nfs/dbraw/zinc/65/45/64/1078654564.db2.gz WXZZQVFWGDHXEZ-AWEZNQCLSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311850 1078654561 /nfs/dbraw/zinc/65/45/61/1078654561.db2.gz WXZZQVFWGDHXEZ-AWEZNQCLSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311851 1078866990 /nfs/dbraw/zinc/86/69/90/1078866990.db2.gz WXZZQVFWGDHXEZ-CQSZACIVSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311851 1078866989 /nfs/dbraw/zinc/86/69/89/1078866989.db2.gz WXZZQVFWGDHXEZ-CQSZACIVSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311854 1078654632 /nfs/dbraw/zinc/65/46/32/1078654632.db2.gz WZOGIDHDMABXML-INIZCTEOSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311854 1078654629 /nfs/dbraw/zinc/65/46/29/1078654629.db2.gz WZOGIDHDMABXML-INIZCTEOSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615311855 1078654479 /nfs/dbraw/zinc/65/44/79/1078654479.db2.gz WZOGIDHDMABXML-MRXNPFEDSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615311855 1078654474 /nfs/dbraw/zinc/65/44/74/1078654474.db2.gz WZOGIDHDMABXML-MRXNPFEDSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615311868 1078654550 /nfs/dbraw/zinc/65/45/50/1078654550.db2.gz YQBADTBYSKPFOQ-KRWDZBQOSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615311868 1078654547 /nfs/dbraw/zinc/65/45/47/1078654547.db2.gz YQBADTBYSKPFOQ-KRWDZBQOSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615311869 1078654422 /nfs/dbraw/zinc/65/44/22/1078654422.db2.gz YQBADTBYSKPFOQ-QGZVFWFLSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000615311869 1078654419 /nfs/dbraw/zinc/65/44/19/1078654419.db2.gz YQBADTBYSKPFOQ-QGZVFWFLSA-N 2 2 402.495 0.625 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@@H](C)C1 ZINC000615394593 1078664180 /nfs/dbraw/zinc/66/41/80/1078664180.db2.gz QWXUFCUVJDJLAT-AWEZNQCLSA-N 2 2 400.439 0.302 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@@H](C)C1 ZINC000615394593 1078664178 /nfs/dbraw/zinc/66/41/78/1078664178.db2.gz QWXUFCUVJDJLAT-AWEZNQCLSA-N 2 2 400.439 0.302 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@H](C)C1 ZINC000615394595 1078664288 /nfs/dbraw/zinc/66/42/88/1078664288.db2.gz QWXUFCUVJDJLAT-CQSZACIVSA-N 2 2 400.439 0.302 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@H](C)C1 ZINC000615394595 1078664286 /nfs/dbraw/zinc/66/42/86/1078664286.db2.gz QWXUFCUVJDJLAT-CQSZACIVSA-N 2 2 400.439 0.302 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000615394643 1078664240 /nfs/dbraw/zinc/66/42/40/1078664240.db2.gz ZXVOSODSCKASOM-AWEZNQCLSA-N 2 2 400.439 0.302 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000615394643 1078664236 /nfs/dbraw/zinc/66/42/36/1078664236.db2.gz ZXVOSODSCKASOM-AWEZNQCLSA-N 2 2 400.439 0.302 20 0 HCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000615394645 1078664108 /nfs/dbraw/zinc/66/41/08/1078664108.db2.gz ZXVOSODSCKASOM-CQSZACIVSA-N 2 2 400.439 0.302 20 0 HCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000615394645 1078664101 /nfs/dbraw/zinc/66/41/01/1078664101.db2.gz ZXVOSODSCKASOM-CQSZACIVSA-N 2 2 400.439 0.302 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000615579401 1078674634 /nfs/dbraw/zinc/67/46/34/1078674634.db2.gz BNXHMAXRBQTVBF-UHFFFAOYSA-N 2 2 403.527 0.893 20 0 HCADLP CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615623589 1078678306 /nfs/dbraw/zinc/67/83/06/1078678306.db2.gz NUMRVCNAWHDEEB-HNNXBMFYSA-N 2 2 420.514 0.162 20 0 HCADLP CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615623589 1078678302 /nfs/dbraw/zinc/67/83/02/1078678302.db2.gz NUMRVCNAWHDEEB-HNNXBMFYSA-N 2 2 420.514 0.162 20 0 HCADLP CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615623590 1078678279 /nfs/dbraw/zinc/67/82/79/1078678279.db2.gz NUMRVCNAWHDEEB-OAHLLOKOSA-N 2 2 420.514 0.162 20 0 HCADLP CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000615623590 1078678276 /nfs/dbraw/zinc/67/82/76/1078678276.db2.gz NUMRVCNAWHDEEB-OAHLLOKOSA-N 2 2 420.514 0.162 20 0 HCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000616013210 1078712470 /nfs/dbraw/zinc/71/24/70/1078712470.db2.gz RIULVMZHVGDBOF-GOSISDBHSA-N 2 2 404.559 0.877 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000616013210 1078712466 /nfs/dbraw/zinc/71/24/66/1078712466.db2.gz RIULVMZHVGDBOF-GOSISDBHSA-N 2 2 404.559 0.877 20 0 HCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000616013219 1078712540 /nfs/dbraw/zinc/71/25/40/1078712540.db2.gz RIULVMZHVGDBOF-SFHVURJKSA-N 2 2 404.559 0.877 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000616013219 1078712537 /nfs/dbraw/zinc/71/25/37/1078712537.db2.gz RIULVMZHVGDBOF-SFHVURJKSA-N 2 2 404.559 0.877 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000616064036 1078715579 /nfs/dbraw/zinc/71/55/79/1078715579.db2.gz FHALTFYOWKSIFR-UHFFFAOYSA-N 2 2 424.553 0.957 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000616134964 1078721810 /nfs/dbraw/zinc/72/18/10/1078721810.db2.gz OIFZKFBGKFGLMU-UHFFFAOYSA-N 2 2 417.558 0.352 20 0 HCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000616170997 1078725311 /nfs/dbraw/zinc/72/53/11/1078725311.db2.gz DABMNNCCMKOFPG-UHFFFAOYSA-N 2 2 404.511 0.338 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000616265663 1078734246 /nfs/dbraw/zinc/73/42/46/1078734246.db2.gz VDLGHEAHJQPGPC-UHFFFAOYSA-N 2 2 417.554 0.254 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000616265663 1078734242 /nfs/dbraw/zinc/73/42/42/1078734242.db2.gz VDLGHEAHJQPGPC-UHFFFAOYSA-N 2 2 417.554 0.254 20 0 HCADLP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CC)CC2)c1 ZINC000616720851 1078763916 /nfs/dbraw/zinc/76/39/16/1078763916.db2.gz HDAYMKZEBIYXBC-UHFFFAOYSA-N 2 2 403.527 0.861 20 0 HCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000616721043 1078763149 /nfs/dbraw/zinc/76/31/49/1078763149.db2.gz ZAVIERMAVHHDHH-UHFFFAOYSA-N 2 2 401.511 0.487 20 0 HCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000616796456 1078774204 /nfs/dbraw/zinc/77/42/04/1078774204.db2.gz HFDXLGAEYHTTCD-UHFFFAOYSA-N 2 2 415.538 0.813 20 0 HCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000617586308 1078825369 /nfs/dbraw/zinc/82/53/69/1078825369.db2.gz HAJFREWXPRTJIS-UHFFFAOYSA-N 2 2 412.494 0.724 20 0 HCADLP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000617593240 1078825704 /nfs/dbraw/zinc/82/57/04/1078825704.db2.gz AVUKBPHGWWODDL-UHFFFAOYSA-N 2 2 415.538 0.813 20 0 HCADLP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000617663679 1078833554 /nfs/dbraw/zinc/83/35/54/1078833554.db2.gz MAADKCHZMNTZKH-UHFFFAOYSA-N 2 2 401.511 0.565 20 0 HCADLP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000617724587 1078836803 /nfs/dbraw/zinc/83/68/03/1078836803.db2.gz DUGCQXTZPPTSMN-KRWDZBQOSA-N 2 2 415.538 0.861 20 0 HCADLP C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000617724588 1078836737 /nfs/dbraw/zinc/83/67/37/1078836737.db2.gz DUGCQXTZPPTSMN-QGZVFWFLSA-N 2 2 415.538 0.861 20 0 HCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000617886741 1078846319 /nfs/dbraw/zinc/84/63/19/1078846319.db2.gz BINSZOFLFMEOFF-GOSISDBHSA-N 2 2 401.511 0.152 20 0 HCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000617886741 1078846318 /nfs/dbraw/zinc/84/63/18/1078846318.db2.gz BINSZOFLFMEOFF-GOSISDBHSA-N 2 2 401.511 0.152 20 0 HCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000617886746 1078846371 /nfs/dbraw/zinc/84/63/71/1078846371.db2.gz BINSZOFLFMEOFF-SFHVURJKSA-N 2 2 401.511 0.152 20 0 HCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000617886746 1078846369 /nfs/dbraw/zinc/84/63/69/1078846369.db2.gz BINSZOFLFMEOFF-SFHVURJKSA-N 2 2 401.511 0.152 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000618401236 1078859471 /nfs/dbraw/zinc/85/94/71/1078859471.db2.gz GZUGPXISXBRPMZ-UHFFFAOYSA-N 2 2 410.584 0.876 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000618401236 1078859466 /nfs/dbraw/zinc/85/94/66/1078859466.db2.gz GZUGPXISXBRPMZ-UHFFFAOYSA-N 2 2 410.584 0.876 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000619521588 1078911660 /nfs/dbraw/zinc/91/16/60/1078911660.db2.gz ICKLJVFVJNGGPZ-HNNXBMFYSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000619521588 1078911655 /nfs/dbraw/zinc/91/16/55/1078911655.db2.gz ICKLJVFVJNGGPZ-HNNXBMFYSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000619521589 1078911588 /nfs/dbraw/zinc/91/15/88/1078911588.db2.gz ICKLJVFVJNGGPZ-OAHLLOKOSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000619521589 1078911581 /nfs/dbraw/zinc/91/15/81/1078911581.db2.gz ICKLJVFVJNGGPZ-OAHLLOKOSA-N 2 2 418.494 0.705 20 0 HCADLP COC(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000619521638 1078911506 /nfs/dbraw/zinc/91/15/06/1078911506.db2.gz SVYJRUIEHMDNCO-CYBMUJFWSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000619521638 1078911503 /nfs/dbraw/zinc/91/15/03/1078911503.db2.gz SVYJRUIEHMDNCO-CYBMUJFWSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000619521639 1078911740 /nfs/dbraw/zinc/91/17/40/1078911740.db2.gz SVYJRUIEHMDNCO-ZDUSSCGKSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000619521639 1078911725 /nfs/dbraw/zinc/91/17/25/1078911725.db2.gz SVYJRUIEHMDNCO-ZDUSSCGKSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000619608167 1078919935 /nfs/dbraw/zinc/91/99/35/1078919935.db2.gz AJQBOTYTSSGELK-UHFFFAOYSA-N 2 2 417.554 0.855 20 0 HCADLP COC(=O)[C@@]1(NCCC(=O)N2CC[NH+](C)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000619781382 1078936843 /nfs/dbraw/zinc/93/68/43/1078936843.db2.gz QLDUFEGSHXTEIB-JOCHJYFZSA-N 2 2 402.539 0.948 20 0 HCADLP COC(=O)[C@@]1(NCCC(=O)N2CC[NH+](C)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000619781382 1078936839 /nfs/dbraw/zinc/93/68/39/1078936839.db2.gz QLDUFEGSHXTEIB-JOCHJYFZSA-N 2 2 402.539 0.948 20 0 HCADLP COC(=O)[C@]1(NCCC(=O)N2CC[NH+](C)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000619781383 1078936918 /nfs/dbraw/zinc/93/69/18/1078936918.db2.gz QLDUFEGSHXTEIB-QFIPXVFZSA-N 2 2 402.539 0.948 20 0 HCADLP COC(=O)[C@]1(NCCC(=O)N2CC[NH+](C)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000619781383 1078936914 /nfs/dbraw/zinc/93/69/14/1078936914.db2.gz QLDUFEGSHXTEIB-QFIPXVFZSA-N 2 2 402.539 0.948 20 0 HCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000619827312 1078945152 /nfs/dbraw/zinc/94/51/52/1078945152.db2.gz JBLKNMBDHKLJPP-KRWDZBQOSA-N 2 2 415.538 0.861 20 0 HCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000619827312 1078945142 /nfs/dbraw/zinc/94/51/42/1078945142.db2.gz JBLKNMBDHKLJPP-KRWDZBQOSA-N 2 2 415.538 0.861 20 0 HCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000619827313 1078945335 /nfs/dbraw/zinc/94/53/35/1078945335.db2.gz JBLKNMBDHKLJPP-QGZVFWFLSA-N 2 2 415.538 0.861 20 0 HCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000619827313 1078945328 /nfs/dbraw/zinc/94/53/28/1078945328.db2.gz JBLKNMBDHKLJPP-QGZVFWFLSA-N 2 2 415.538 0.861 20 0 HCADLP COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000619833530 1078947586 /nfs/dbraw/zinc/94/75/86/1078947586.db2.gz FCGDFJMXYWMQND-GFCCVEGCSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000619833530 1078947582 /nfs/dbraw/zinc/94/75/82/1078947582.db2.gz FCGDFJMXYWMQND-GFCCVEGCSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000619833531 1078947763 /nfs/dbraw/zinc/94/77/63/1078947763.db2.gz FCGDFJMXYWMQND-LBPRGKRZSA-N 2 2 424.448 0.975 20 0 HCADLP COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000619833531 1078947756 /nfs/dbraw/zinc/94/77/56/1078947756.db2.gz FCGDFJMXYWMQND-LBPRGKRZSA-N 2 2 424.448 0.975 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000620421062 1079002408 /nfs/dbraw/zinc/00/24/08/1079002408.db2.gz FUGMSYFWJYBMBN-GOSISDBHSA-N 2 2 416.526 0.468 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000620421062 1079002400 /nfs/dbraw/zinc/00/24/00/1079002400.db2.gz FUGMSYFWJYBMBN-GOSISDBHSA-N 2 2 416.526 0.468 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000620421063 1079002611 /nfs/dbraw/zinc/00/26/11/1079002611.db2.gz FUGMSYFWJYBMBN-SFHVURJKSA-N 2 2 416.526 0.468 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000620421063 1079002601 /nfs/dbraw/zinc/00/26/01/1079002601.db2.gz FUGMSYFWJYBMBN-SFHVURJKSA-N 2 2 416.526 0.468 20 0 HCADLP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000620427076 1079005233 /nfs/dbraw/zinc/00/52/33/1079005233.db2.gz FAOXWPLYKUZSTP-GOSISDBHSA-N 2 2 416.526 0.422 20 0 HCADLP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000620427076 1079005225 /nfs/dbraw/zinc/00/52/25/1079005225.db2.gz FAOXWPLYKUZSTP-GOSISDBHSA-N 2 2 416.526 0.422 20 0 HCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000620547294 1079016234 /nfs/dbraw/zinc/01/62/34/1079016234.db2.gz CTXZUOAASYOYRZ-UHFFFAOYSA-N 2 2 423.480 0.447 20 0 HCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000620560821 1079015735 /nfs/dbraw/zinc/01/57/35/1079015735.db2.gz UECBPJBCUZVWSU-INIZCTEOSA-N 2 2 403.527 0.859 20 0 HCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000620560822 1079015656 /nfs/dbraw/zinc/01/56/56/1079015656.db2.gz UECBPJBCUZVWSU-MRXNPFEDSA-N 2 2 403.527 0.859 20 0 HCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000620667394 1079022598 /nfs/dbraw/zinc/02/25/98/1079022598.db2.gz MHSJTMIIQIIKTR-UHFFFAOYSA-N 2 2 403.575 0.659 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000620667394 1079022589 /nfs/dbraw/zinc/02/25/89/1079022589.db2.gz MHSJTMIIQIIKTR-UHFFFAOYSA-N 2 2 403.575 0.659 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000620667401 1079022518 /nfs/dbraw/zinc/02/25/18/1079022518.db2.gz SRJDYFFCTIYACK-IBGZPJMESA-N 2 2 402.543 0.840 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000620667402 1079022405 /nfs/dbraw/zinc/02/24/05/1079022405.db2.gz SRJDYFFCTIYACK-LJQANCHMSA-N 2 2 402.543 0.840 20 0 HCADLP CCOc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000620758055 1079028169 /nfs/dbraw/zinc/02/81/69/1079028169.db2.gz JUBDOWHXSANOMF-INIZCTEOSA-N 2 2 406.527 0.804 20 0 HCADLP CCOc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000620758056 1079028140 /nfs/dbraw/zinc/02/81/40/1079028140.db2.gz JUBDOWHXSANOMF-MRXNPFEDSA-N 2 2 406.527 0.804 20 0 HCADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000620770302 1079029480 /nfs/dbraw/zinc/02/94/80/1079029480.db2.gz SMYSLKHBSXKSHJ-PMACEKPBSA-N 2 2 424.586 0.470 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000620826510 1079033133 /nfs/dbraw/zinc/03/31/33/1079033133.db2.gz LNBHNKUJVRONHV-UHFFFAOYSA-N 2 2 417.510 0.232 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000620831026 1079032641 /nfs/dbraw/zinc/03/26/41/1079032641.db2.gz HKSDCNVHAYDAGQ-AWEZNQCLSA-N 2 2 405.499 0.088 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000620831029 1079032576 /nfs/dbraw/zinc/03/25/76/1079032576.db2.gz HKSDCNVHAYDAGQ-CQSZACIVSA-N 2 2 405.499 0.088 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000620835604 1079033561 /nfs/dbraw/zinc/03/35/61/1079033561.db2.gz FSIMKECCTQBKAW-MRXNPFEDSA-N 2 2 417.510 0.232 20 0 HCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000620835604 1079033556 /nfs/dbraw/zinc/03/35/56/1079033556.db2.gz FSIMKECCTQBKAW-MRXNPFEDSA-N 2 2 417.510 0.232 20 0 HCADLP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000620844127 1079033604 /nfs/dbraw/zinc/03/36/04/1079033604.db2.gz ONNZCNWOMVQZDN-UHFFFAOYSA-N 2 2 413.522 0.629 20 0 HCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000620845442 1079035363 /nfs/dbraw/zinc/03/53/63/1079035363.db2.gz JCXMUUAGWZJZCW-KRWDZBQOSA-N 2 2 415.538 0.859 20 0 HCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000620845442 1079035352 /nfs/dbraw/zinc/03/53/52/1079035352.db2.gz JCXMUUAGWZJZCW-KRWDZBQOSA-N 2 2 415.538 0.859 20 0 HCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000620845443 1079035192 /nfs/dbraw/zinc/03/51/92/1079035192.db2.gz JCXMUUAGWZJZCW-QGZVFWFLSA-N 2 2 415.538 0.859 20 0 HCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000620845443 1079035185 /nfs/dbraw/zinc/03/51/85/1079035185.db2.gz JCXMUUAGWZJZCW-QGZVFWFLSA-N 2 2 415.538 0.859 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000621019640 1079050376 /nfs/dbraw/zinc/05/03/76/1079050376.db2.gz HKTFDSNVUNXDPY-UHFFFAOYSA-N 2 2 415.538 0.955 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000621019661 1079049863 /nfs/dbraw/zinc/04/98/63/1079049863.db2.gz YZZQBMUBRSCDHM-GOSISDBHSA-N 2 2 401.511 0.613 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000621019661 1079049856 /nfs/dbraw/zinc/04/98/56/1079049856.db2.gz YZZQBMUBRSCDHM-GOSISDBHSA-N 2 2 401.511 0.613 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000621019662 1079049741 /nfs/dbraw/zinc/04/97/41/1079049741.db2.gz YZZQBMUBRSCDHM-SFHVURJKSA-N 2 2 401.511 0.613 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000621019662 1079049738 /nfs/dbraw/zinc/04/97/38/1079049738.db2.gz YZZQBMUBRSCDHM-SFHVURJKSA-N 2 2 401.511 0.613 20 0 HCADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000621020695 1079050280 /nfs/dbraw/zinc/05/02/80/1079050280.db2.gz JVTZNUAFBUKRTH-UHFFFAOYSA-N 2 2 415.538 0.957 20 0 HCADLP COc1cccc([C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[NH+](C)C)c1 ZINC000621631332 1079071979 /nfs/dbraw/zinc/07/19/79/1079071979.db2.gz FJTOAZMYNAQUTR-AZUAARDMSA-N 2 2 418.538 0.595 20 0 HCADLP COc1cccc([C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[NH+](C)C)c1 ZINC000621631333 1079071936 /nfs/dbraw/zinc/07/19/36/1079071936.db2.gz FJTOAZMYNAQUTR-ICSRJNTNSA-N 2 2 418.538 0.595 20 0 HCADLP COc1cccc([C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[NH+](C)C)c1 ZINC000621631334 1079071866 /nfs/dbraw/zinc/07/18/66/1079071866.db2.gz FJTOAZMYNAQUTR-QUCCMNQESA-N 2 2 418.538 0.595 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000621631394 1079071995 /nfs/dbraw/zinc/07/19/95/1079071995.db2.gz UUYDMPBEOVROLJ-HKUYNNGSSA-N 2 2 406.502 0.725 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000621631395 1079071895 /nfs/dbraw/zinc/07/18/95/1079071895.db2.gz UUYDMPBEOVROLJ-MJGOQNOKSA-N 2 2 406.502 0.725 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000621631396 1079071821 /nfs/dbraw/zinc/07/18/21/1079071821.db2.gz UUYDMPBEOVROLJ-PKOBYXMFSA-N 2 2 406.502 0.725 20 0 HCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000621646765 1079073150 /nfs/dbraw/zinc/07/31/50/1079073150.db2.gz INWSSUIBVOCSRM-FQEVSTJZSA-N 2 2 406.571 0.892 20 0 HCADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000621652493 1079073675 /nfs/dbraw/zinc/07/36/75/1079073675.db2.gz KJOOOCFCWYOUIG-PMACEKPBSA-N 2 2 402.539 0.895 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000621652494 1079073698 /nfs/dbraw/zinc/07/36/98/1079073698.db2.gz KJOOOCFCWYOUIG-VQTJNVASSA-N 2 2 402.539 0.895 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC000621652495 1079073517 /nfs/dbraw/zinc/07/35/17/1079073517.db2.gz KJOOOCFCWYOUIG-WOJBJXKFSA-N 2 2 402.539 0.895 20 0 HCADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000621652549 1079073617 /nfs/dbraw/zinc/07/36/17/1079073617.db2.gz YAIAJPZMEJFSIZ-MSOLQXFVSA-N 2 2 406.527 0.959 20 0 HCADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000621652550 1079073600 /nfs/dbraw/zinc/07/36/00/1079073600.db2.gz YAIAJPZMEJFSIZ-ROUUACIJSA-N 2 2 406.527 0.959 20 0 HCADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000621652551 1080692623 /nfs/dbraw/zinc/69/26/23/1080692623.db2.gz YAIAJPZMEJFSIZ-ZWKOTPCHSA-N 2 2 406.527 0.959 20 0 HCADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000622064382 1079088695 /nfs/dbraw/zinc/08/86/95/1079088695.db2.gz RXUUNOMXHNGZGR-IBGZPJMESA-N 2 2 418.538 0.424 20 0 HCADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000622064383 1079088775 /nfs/dbraw/zinc/08/87/75/1079088775.db2.gz RXUUNOMXHNGZGR-LJQANCHMSA-N 2 2 418.538 0.424 20 0 HCADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCCCn3cc[nH+]c3)cc21 ZINC000622167564 1079097984 /nfs/dbraw/zinc/09/79/84/1079097984.db2.gz SMUVLLUAPFKRHO-UHFFFAOYSA-N 2 2 414.466 0.888 20 0 HCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000622390380 1079109029 /nfs/dbraw/zinc/10/90/29/1079109029.db2.gz YVZCHAQTDKMUTP-GOSISDBHSA-N 2 2 410.559 0.032 20 0 HCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000622390381 1079108926 /nfs/dbraw/zinc/10/89/26/1079108926.db2.gz YVZCHAQTDKMUTP-SFHVURJKSA-N 2 2 410.559 0.032 20 0 HCADLP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000622394092 1079110626 /nfs/dbraw/zinc/11/06/26/1079110626.db2.gz CSAXAZHIARPWBU-FQEVSTJZSA-N 2 2 402.539 0.935 20 0 HCADLP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000622394092 1079110623 /nfs/dbraw/zinc/11/06/23/1079110623.db2.gz CSAXAZHIARPWBU-FQEVSTJZSA-N 2 2 402.539 0.935 20 0 HCADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000622854927 1079136373 /nfs/dbraw/zinc/13/63/73/1079136373.db2.gz BUGUFEYHTGKLAA-GOSISDBHSA-N 2 2 407.511 0.479 20 0 HCADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000622854928 1079136116 /nfs/dbraw/zinc/13/61/16/1079136116.db2.gz BUGUFEYHTGKLAA-SFHVURJKSA-N 2 2 407.511 0.479 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)CC2)CC1 ZINC000622946664 1079163481 /nfs/dbraw/zinc/16/34/81/1079163481.db2.gz WAJFUYVAUADWRF-GOSISDBHSA-N 2 2 415.604 0.658 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)CC2)CC1 ZINC000622946665 1079163312 /nfs/dbraw/zinc/16/33/12/1079163312.db2.gz WAJFUYVAUADWRF-SFHVURJKSA-N 2 2 415.604 0.658 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000622946679 1079163374 /nfs/dbraw/zinc/16/33/74/1079163374.db2.gz ZYBIIPIKICZBER-INIZCTEOSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000622946680 1079163511 /nfs/dbraw/zinc/16/35/11/1079163511.db2.gz ZYBIIPIKICZBER-MRXNPFEDSA-N 2 2 401.577 0.268 20 0 HCADLP COc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(OC)n1 ZINC000622971682 1079163439 /nfs/dbraw/zinc/16/34/39/1079163439.db2.gz GEGKMRNZNIYROW-UHFFFAOYSA-N 2 2 405.499 0.712 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCn3cc[nH+]c3C)cc2)CC1 ZINC000623032931 1079167155 /nfs/dbraw/zinc/16/71/55/1079167155.db2.gz DYSQRWAKDHLRAZ-UHFFFAOYSA-N 2 2 412.494 0.724 20 0 HCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000623158432 1079180729 /nfs/dbraw/zinc/18/07/29/1079180729.db2.gz RMVMBRGYCWYHGQ-UHFFFAOYSA-N 3 2 417.602 0.919 20 0 HCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000623158432 1079180719 /nfs/dbraw/zinc/18/07/19/1079180719.db2.gz RMVMBRGYCWYHGQ-UHFFFAOYSA-N 3 2 417.602 0.919 20 0 HCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000623171638 1079189660 /nfs/dbraw/zinc/18/96/60/1079189660.db2.gz XZMYWADCIQFXPW-MOPGFXCFSA-N 2 2 415.538 0.690 20 0 HCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000623171638 1079189647 /nfs/dbraw/zinc/18/96/47/1079189647.db2.gz XZMYWADCIQFXPW-MOPGFXCFSA-N 2 2 415.538 0.690 20 0 HCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000623171639 1079189893 /nfs/dbraw/zinc/18/98/93/1079189893.db2.gz XZMYWADCIQFXPW-OALUTQOASA-N 2 2 415.538 0.690 20 0 HCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000623171639 1079189881 /nfs/dbraw/zinc/18/98/81/1079189881.db2.gz XZMYWADCIQFXPW-OALUTQOASA-N 2 2 415.538 0.690 20 0 HCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000623171640 1079190105 /nfs/dbraw/zinc/19/01/05/1079190105.db2.gz XZMYWADCIQFXPW-RBUKOAKNSA-N 2 2 415.538 0.690 20 0 HCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000623171640 1079190101 /nfs/dbraw/zinc/19/01/01/1079190101.db2.gz XZMYWADCIQFXPW-RBUKOAKNSA-N 2 2 415.538 0.690 20 0 HCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000623171641 1079189749 /nfs/dbraw/zinc/18/97/49/1079189749.db2.gz XZMYWADCIQFXPW-RTBURBONSA-N 2 2 415.538 0.690 20 0 HCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000623171641 1079189738 /nfs/dbraw/zinc/18/97/38/1079189738.db2.gz XZMYWADCIQFXPW-RTBURBONSA-N 2 2 415.538 0.690 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000624247746 1079294851 /nfs/dbraw/zinc/29/48/51/1079294851.db2.gz BLDSPBYTZJITAU-UHFFFAOYSA-N 2 2 410.540 0.388 20 0 HCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646824235 1077384263 /nfs/dbraw/zinc/38/42/63/1077384263.db2.gz GJTXHSDEVXJATK-LEWJYISDSA-N 2 2 414.550 0.915 20 0 HCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646824236 1077384182 /nfs/dbraw/zinc/38/41/82/1077384182.db2.gz GJTXHSDEVXJATK-NHCUHLMSSA-N 2 2 414.550 0.915 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)CC1 ZINC000669646425 1073431267 /nfs/dbraw/zinc/43/12/67/1073431267.db2.gz JLBWPWCSFGZUEM-UHFFFAOYSA-N 2 2 423.583 0.833 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649987 1073440310 /nfs/dbraw/zinc/44/03/10/1073440310.db2.gz CJUWMFVISLRARO-HLLBOEOZSA-N 2 2 401.577 0.172 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649987 1073440302 /nfs/dbraw/zinc/44/03/02/1073440302.db2.gz CJUWMFVISLRARO-HLLBOEOZSA-N 2 2 401.577 0.172 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649988 1073439930 /nfs/dbraw/zinc/43/99/30/1073439930.db2.gz CJUWMFVISLRARO-VYDXJSESSA-N 2 2 401.577 0.172 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649988 1073439917 /nfs/dbraw/zinc/43/99/17/1073439917.db2.gz CJUWMFVISLRARO-VYDXJSESSA-N 2 2 401.577 0.172 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649989 1073440183 /nfs/dbraw/zinc/44/01/83/1073440183.db2.gz CJUWMFVISLRARO-YQQAZPJKSA-N 2 2 401.577 0.172 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649989 1073440178 /nfs/dbraw/zinc/44/01/78/1073440178.db2.gz CJUWMFVISLRARO-YQQAZPJKSA-N 2 2 401.577 0.172 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649990 1073440141 /nfs/dbraw/zinc/44/01/41/1073440141.db2.gz CJUWMFVISLRARO-ZOBUZTSGSA-N 2 2 401.577 0.172 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649990 1073440135 /nfs/dbraw/zinc/44/01/35/1073440135.db2.gz CJUWMFVISLRARO-ZOBUZTSGSA-N 2 2 401.577 0.172 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650037 1073437994 /nfs/dbraw/zinc/43/79/94/1073437994.db2.gz OSOOIUGSLAYCQJ-KRWDZBQOSA-N 2 2 409.556 0.443 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650037 1073437990 /nfs/dbraw/zinc/43/79/90/1073437990.db2.gz OSOOIUGSLAYCQJ-KRWDZBQOSA-N 2 2 409.556 0.443 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650038 1073438165 /nfs/dbraw/zinc/43/81/65/1073438165.db2.gz OSOOIUGSLAYCQJ-QGZVFWFLSA-N 2 2 409.556 0.443 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650038 1073438154 /nfs/dbraw/zinc/43/81/54/1073438154.db2.gz OSOOIUGSLAYCQJ-QGZVFWFLSA-N 2 2 409.556 0.443 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669771438 1074535658 /nfs/dbraw/zinc/53/56/58/1074535658.db2.gz WSNVVLKWMYKCDQ-UHFFFAOYSA-N 2 2 411.572 0.643 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669771438 1074535650 /nfs/dbraw/zinc/53/56/50/1074535650.db2.gz WSNVVLKWMYKCDQ-UHFFFAOYSA-N 2 2 411.572 0.643 20 0 HCADLP CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669773326 1074545541 /nfs/dbraw/zinc/54/55/41/1074545541.db2.gz HJTYPBTYJKYEKD-IBGZPJMESA-N 2 2 423.583 0.785 20 0 HCADLP CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669773326 1074545536 /nfs/dbraw/zinc/54/55/36/1074545536.db2.gz HJTYPBTYJKYEKD-IBGZPJMESA-N 2 2 423.583 0.785 20 0 HCADLP CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669773327 1074545496 /nfs/dbraw/zinc/54/54/96/1074545496.db2.gz HJTYPBTYJKYEKD-LJQANCHMSA-N 2 2 423.583 0.785 20 0 HCADLP CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669773327 1074545491 /nfs/dbraw/zinc/54/54/91/1074545491.db2.gz HJTYPBTYJKYEKD-LJQANCHMSA-N 2 2 423.583 0.785 20 0 HCADLP CN(C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669791316 1074706422 /nfs/dbraw/zinc/70/64/22/1074706422.db2.gz IEXYIJSWYRLCCA-BPQIPLTHSA-N 2 2 415.604 0.514 20 0 HCADLP CN(C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669791316 1074706411 /nfs/dbraw/zinc/70/64/11/1074706411.db2.gz IEXYIJSWYRLCCA-BPQIPLTHSA-N 2 2 415.604 0.514 20 0 HCADLP CN(C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669791317 1074706126 /nfs/dbraw/zinc/70/61/26/1074706126.db2.gz IEXYIJSWYRLCCA-NJAFHUGGSA-N 2 2 415.604 0.514 20 0 HCADLP CN(C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669791317 1074706117 /nfs/dbraw/zinc/70/61/17/1074706117.db2.gz IEXYIJSWYRLCCA-NJAFHUGGSA-N 2 2 415.604 0.514 20 0 HCADLP CN(C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669791318 1074706232 /nfs/dbraw/zinc/70/62/32/1074706232.db2.gz IEXYIJSWYRLCCA-RYQLBKOJSA-N 2 2 415.604 0.514 20 0 HCADLP CN(C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669791318 1074706225 /nfs/dbraw/zinc/70/62/25/1074706225.db2.gz IEXYIJSWYRLCCA-RYQLBKOJSA-N 2 2 415.604 0.514 20 0 HCADLP CN(C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669791319 1074706066 /nfs/dbraw/zinc/70/60/66/1074706066.db2.gz IEXYIJSWYRLCCA-SZMVWBNQSA-N 2 2 415.604 0.514 20 0 HCADLP CN(C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669791319 1074706058 /nfs/dbraw/zinc/70/60/58/1074706058.db2.gz IEXYIJSWYRLCCA-SZMVWBNQSA-N 2 2 415.604 0.514 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C2)CC1 ZINC000670015312 1077337915 /nfs/dbraw/zinc/33/79/15/1077337915.db2.gz AVTYDLVDVFHKEX-MRXNPFEDSA-N 2 2 413.588 0.364 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C2)CC1 ZINC000670015312 1077337911 /nfs/dbraw/zinc/33/79/11/1077337911.db2.gz AVTYDLVDVFHKEX-MRXNPFEDSA-N 2 2 413.588 0.364 20 0 HCADLP Cc1cc(C)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000670425361 1078353543 /nfs/dbraw/zinc/35/35/43/1078353543.db2.gz INTMAUGQRTUOEY-KRWDZBQOSA-N 2 2 403.527 0.647 20 0 HCADLP Cc1cc(C)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000670425361 1078353539 /nfs/dbraw/zinc/35/35/39/1078353539.db2.gz INTMAUGQRTUOEY-KRWDZBQOSA-N 2 2 403.527 0.647 20 0 HCADLP Cc1cc(C)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000670425362 1078353595 /nfs/dbraw/zinc/35/35/95/1078353595.db2.gz INTMAUGQRTUOEY-QGZVFWFLSA-N 2 2 403.527 0.647 20 0 HCADLP Cc1cc(C)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000670425362 1078353592 /nfs/dbraw/zinc/35/35/92/1078353592.db2.gz INTMAUGQRTUOEY-QGZVFWFLSA-N 2 2 403.527 0.647 20 0 HCADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000670479112 1078462129 /nfs/dbraw/zinc/46/21/29/1078462129.db2.gz HFUCZKBYJZTYLM-HDICACEKSA-N 2 2 421.542 0.506 20 0 HCADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000670479112 1078462128 /nfs/dbraw/zinc/46/21/28/1078462128.db2.gz HFUCZKBYJZTYLM-HDICACEKSA-N 2 2 421.542 0.506 20 0 HCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000670479113 1078462035 /nfs/dbraw/zinc/46/20/35/1078462035.db2.gz HFUCZKBYJZTYLM-QZTJIDSGSA-N 2 2 421.542 0.506 20 0 HCADLP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000670479114 1078462085 /nfs/dbraw/zinc/46/20/85/1078462085.db2.gz HFUCZKBYJZTYLM-ROUUACIJSA-N 2 2 421.542 0.506 20 0 HCADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000670479681 1078465318 /nfs/dbraw/zinc/46/53/18/1078465318.db2.gz LUQWDBSQERLMJQ-IBGZPJMESA-N 2 2 402.539 0.948 20 0 HCADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000670479681 1078465313 /nfs/dbraw/zinc/46/53/13/1078465313.db2.gz LUQWDBSQERLMJQ-IBGZPJMESA-N 2 2 402.539 0.948 20 0 HCADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000670479682 1078465367 /nfs/dbraw/zinc/46/53/67/1078465367.db2.gz LUQWDBSQERLMJQ-LJQANCHMSA-N 2 2 402.539 0.948 20 0 HCADLP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000670479682 1078465366 /nfs/dbraw/zinc/46/53/66/1078465366.db2.gz LUQWDBSQERLMJQ-LJQANCHMSA-N 2 2 402.539 0.948 20 0 HCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000670479702 1078465358 /nfs/dbraw/zinc/46/53/58/1078465358.db2.gz RCCLCAKGWSGPRJ-UHFFFAOYSA-N 2 2 402.539 0.868 20 0 HCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000670479702 1078465355 /nfs/dbraw/zinc/46/53/55/1078465355.db2.gz RCCLCAKGWSGPRJ-UHFFFAOYSA-N 2 2 402.539 0.868 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000670491341 1078508950 /nfs/dbraw/zinc/50/89/50/1078508950.db2.gz LRAFLZOTGDOCEN-INIZCTEOSA-N 2 2 404.511 0.605 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000670491341 1078508947 /nfs/dbraw/zinc/50/89/47/1078508947.db2.gz LRAFLZOTGDOCEN-INIZCTEOSA-N 2 2 404.511 0.605 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000670493258 1078515589 /nfs/dbraw/zinc/51/55/89/1078515589.db2.gz GATKRVNTTPIQAM-KRWDZBQOSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000670493258 1078515582 /nfs/dbraw/zinc/51/55/82/1078515582.db2.gz GATKRVNTTPIQAM-KRWDZBQOSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000670493259 1078516596 /nfs/dbraw/zinc/51/65/96/1078516596.db2.gz GATKRVNTTPIQAM-QGZVFWFLSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000670493259 1078516586 /nfs/dbraw/zinc/51/65/86/1078516586.db2.gz GATKRVNTTPIQAM-QGZVFWFLSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccccc1OCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670507176 1078543885 /nfs/dbraw/zinc/54/38/85/1078543885.db2.gz AAMHBZDCSADCKU-INIZCTEOSA-N 2 2 404.511 0.475 20 0 HCADLP COc1ccccc1OCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670507176 1078543879 /nfs/dbraw/zinc/54/38/79/1078543879.db2.gz AAMHBZDCSADCKU-INIZCTEOSA-N 2 2 404.511 0.475 20 0 HCADLP COc1ccccc1OCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670507177 1078543720 /nfs/dbraw/zinc/54/37/20/1078543720.db2.gz AAMHBZDCSADCKU-MRXNPFEDSA-N 2 2 404.511 0.475 20 0 HCADLP COc1ccccc1OCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670507177 1078543708 /nfs/dbraw/zinc/54/37/08/1078543708.db2.gz AAMHBZDCSADCKU-MRXNPFEDSA-N 2 2 404.511 0.475 20 0 HCADLP COc1ccccc1OCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670507231 1078543092 /nfs/dbraw/zinc/54/30/92/1078543092.db2.gz PJTRPAJRYPYLPE-GOSISDBHSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccccc1OCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670507231 1078543076 /nfs/dbraw/zinc/54/30/76/1078543076.db2.gz PJTRPAJRYPYLPE-GOSISDBHSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccccc1OCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670507232 1078543235 /nfs/dbraw/zinc/54/32/35/1078543235.db2.gz PJTRPAJRYPYLPE-SFHVURJKSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccccc1OCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670507232 1078543224 /nfs/dbraw/zinc/54/32/24/1078543224.db2.gz PJTRPAJRYPYLPE-SFHVURJKSA-N 2 2 418.538 0.817 20 0 HCADLP Cc1cc(C)n(CCCNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000670507816 1078555124 /nfs/dbraw/zinc/55/51/24/1078555124.db2.gz INAWIXZSOGJJQO-UHFFFAOYSA-N 2 2 404.559 0.681 20 0 HCADLP Cc1cc(C)n(CCCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000670507836 1078555099 /nfs/dbraw/zinc/55/50/99/1078555099.db2.gz PZIZENBPFNBEIC-IBGZPJMESA-N 2 2 404.559 0.633 20 0 HCADLP Cc1cc(C)n(CCCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000670507836 1078555096 /nfs/dbraw/zinc/55/50/96/1078555096.db2.gz PZIZENBPFNBEIC-IBGZPJMESA-N 2 2 404.559 0.633 20 0 HCADLP Cc1cc(C)n(CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000670507837 1078555120 /nfs/dbraw/zinc/55/51/20/1078555120.db2.gz PZIZENBPFNBEIC-LJQANCHMSA-N 2 2 404.559 0.633 20 0 HCADLP Cc1cc(C)n(CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000670507837 1078555118 /nfs/dbraw/zinc/55/51/18/1078555118.db2.gz PZIZENBPFNBEIC-LJQANCHMSA-N 2 2 404.559 0.633 20 0 HCADLP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670509504 1078572254 /nfs/dbraw/zinc/57/22/54/1078572254.db2.gz ORXQVBJZUSIDFW-IBGZPJMESA-N 3 2 407.603 0.994 20 0 HCADLP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670509504 1078572244 /nfs/dbraw/zinc/57/22/44/1078572244.db2.gz ORXQVBJZUSIDFW-IBGZPJMESA-N 3 2 407.603 0.994 20 0 HCADLP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670509505 1078572409 /nfs/dbraw/zinc/57/24/09/1078572409.db2.gz ORXQVBJZUSIDFW-LJQANCHMSA-N 3 2 407.603 0.994 20 0 HCADLP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670509505 1078572403 /nfs/dbraw/zinc/57/24/03/1078572403.db2.gz ORXQVBJZUSIDFW-LJQANCHMSA-N 3 2 407.603 0.994 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510400 1078565426 /nfs/dbraw/zinc/56/54/26/1078565426.db2.gz SHFPFRKPZDJEBL-FFZOFVMBSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510400 1078565417 /nfs/dbraw/zinc/56/54/17/1078565417.db2.gz SHFPFRKPZDJEBL-FFZOFVMBSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510401 1078565292 /nfs/dbraw/zinc/56/52/92/1078565292.db2.gz SHFPFRKPZDJEBL-LSTHTHJFSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510401 1078565290 /nfs/dbraw/zinc/56/52/90/1078565290.db2.gz SHFPFRKPZDJEBL-LSTHTHJFSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510402 1078565337 /nfs/dbraw/zinc/56/53/37/1078565337.db2.gz SHFPFRKPZDJEBL-UXPWSPDFSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510402 1078565330 /nfs/dbraw/zinc/56/53/30/1078565330.db2.gz SHFPFRKPZDJEBL-UXPWSPDFSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510403 1078565478 /nfs/dbraw/zinc/56/54/78/1078565478.db2.gz SHFPFRKPZDJEBL-VDGAXYAQSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)cc1 ZINC000670510403 1078565476 /nfs/dbraw/zinc/56/54/76/1078565476.db2.gz SHFPFRKPZDJEBL-VDGAXYAQSA-N 2 2 418.538 0.784 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670532330 1078647783 /nfs/dbraw/zinc/64/77/83/1078647783.db2.gz FXYLCKJWHIYQIU-PMACEKPBSA-N 2 2 402.539 0.994 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670532330 1078647778 /nfs/dbraw/zinc/64/77/78/1078647778.db2.gz FXYLCKJWHIYQIU-PMACEKPBSA-N 2 2 402.539 0.994 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670532331 1078648167 /nfs/dbraw/zinc/64/81/67/1078648167.db2.gz FXYLCKJWHIYQIU-UXHICEINSA-N 2 2 402.539 0.994 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670532331 1078648160 /nfs/dbraw/zinc/64/81/60/1078648160.db2.gz FXYLCKJWHIYQIU-UXHICEINSA-N 2 2 402.539 0.994 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670532332 1078648236 /nfs/dbraw/zinc/64/82/36/1078648236.db2.gz FXYLCKJWHIYQIU-VQTJNVASSA-N 2 2 402.539 0.994 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670532332 1078648229 /nfs/dbraw/zinc/64/82/29/1078648229.db2.gz FXYLCKJWHIYQIU-VQTJNVASSA-N 2 2 402.539 0.994 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000670532333 1078648352 /nfs/dbraw/zinc/64/83/52/1078648352.db2.gz FXYLCKJWHIYQIU-WOJBJXKFSA-N 2 2 402.539 0.994 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000670532333 1078648348 /nfs/dbraw/zinc/64/83/48/1078648348.db2.gz FXYLCKJWHIYQIU-WOJBJXKFSA-N 2 2 402.539 0.994 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670532784 1078666112 /nfs/dbraw/zinc/66/61/12/1078666112.db2.gz LMHVRCWIVXGXKY-HSALFYBXSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670532784 1078666110 /nfs/dbraw/zinc/66/61/10/1078666110.db2.gz LMHVRCWIVXGXKY-HSALFYBXSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000670532784 1078666107 /nfs/dbraw/zinc/66/61/07/1078666107.db2.gz LMHVRCWIVXGXKY-HSALFYBXSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000670532784 1078666104 /nfs/dbraw/zinc/66/61/04/1078666104.db2.gz LMHVRCWIVXGXKY-HSALFYBXSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670532785 1078666172 /nfs/dbraw/zinc/66/61/72/1078666172.db2.gz LMHVRCWIVXGXKY-SLFFLAALSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670532785 1078666170 /nfs/dbraw/zinc/66/61/70/1078666170.db2.gz LMHVRCWIVXGXKY-SLFFLAALSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000670532785 1078666160 /nfs/dbraw/zinc/66/61/60/1078666160.db2.gz LMHVRCWIVXGXKY-SLFFLAALSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000670532785 1078666158 /nfs/dbraw/zinc/66/61/58/1078666158.db2.gz LMHVRCWIVXGXKY-SLFFLAALSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670532786 1078666136 /nfs/dbraw/zinc/66/61/36/1078666136.db2.gz LMHVRCWIVXGXKY-VAMGGRTRSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670532786 1078666135 /nfs/dbraw/zinc/66/61/35/1078666135.db2.gz LMHVRCWIVXGXKY-VAMGGRTRSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000670532786 1078666133 /nfs/dbraw/zinc/66/61/33/1078666133.db2.gz LMHVRCWIVXGXKY-VAMGGRTRSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000670532786 1078666131 /nfs/dbraw/zinc/66/61/31/1078666131.db2.gz LMHVRCWIVXGXKY-VAMGGRTRSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670532787 1078666066 /nfs/dbraw/zinc/66/60/66/1078666066.db2.gz LMHVRCWIVXGXKY-XUVXKRRUSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670532787 1078666061 /nfs/dbraw/zinc/66/60/61/1078666061.db2.gz LMHVRCWIVXGXKY-XUVXKRRUSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000670532787 1078666056 /nfs/dbraw/zinc/66/60/56/1078666056.db2.gz LMHVRCWIVXGXKY-XUVXKRRUSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000670532787 1078666052 /nfs/dbraw/zinc/66/60/52/1078666052.db2.gz LMHVRCWIVXGXKY-XUVXKRRUSA-N 2 2 400.523 0.747 20 0 HCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670532850 1078666626 /nfs/dbraw/zinc/66/66/26/1078666626.db2.gz RDKRPBYIEMMPQC-PMACEKPBSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670532850 1078666619 /nfs/dbraw/zinc/66/66/19/1078666619.db2.gz RDKRPBYIEMMPQC-PMACEKPBSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000670532850 1078666613 /nfs/dbraw/zinc/66/66/13/1078666613.db2.gz RDKRPBYIEMMPQC-PMACEKPBSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000670532850 1078666609 /nfs/dbraw/zinc/66/66/09/1078666609.db2.gz RDKRPBYIEMMPQC-PMACEKPBSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670532851 1078666781 /nfs/dbraw/zinc/66/67/81/1078666781.db2.gz RDKRPBYIEMMPQC-UXHICEINSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670532851 1078666777 /nfs/dbraw/zinc/66/67/77/1078666777.db2.gz RDKRPBYIEMMPQC-UXHICEINSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000670532851 1078666770 /nfs/dbraw/zinc/66/67/70/1078666770.db2.gz RDKRPBYIEMMPQC-UXHICEINSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000670532851 1078666764 /nfs/dbraw/zinc/66/67/64/1078666764.db2.gz RDKRPBYIEMMPQC-UXHICEINSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670532852 1078666711 /nfs/dbraw/zinc/66/67/11/1078666711.db2.gz RDKRPBYIEMMPQC-VQTJNVASSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670532852 1078666705 /nfs/dbraw/zinc/66/67/05/1078666705.db2.gz RDKRPBYIEMMPQC-VQTJNVASSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000670532852 1078666700 /nfs/dbraw/zinc/66/67/00/1078666700.db2.gz RDKRPBYIEMMPQC-VQTJNVASSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000670532852 1078666695 /nfs/dbraw/zinc/66/66/95/1078666695.db2.gz RDKRPBYIEMMPQC-VQTJNVASSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670532853 1078666510 /nfs/dbraw/zinc/66/65/10/1078666510.db2.gz RDKRPBYIEMMPQC-WOJBJXKFSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670532853 1078666505 /nfs/dbraw/zinc/66/65/05/1078666505.db2.gz RDKRPBYIEMMPQC-WOJBJXKFSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000670532853 1078666497 /nfs/dbraw/zinc/66/64/97/1078666497.db2.gz RDKRPBYIEMMPQC-WOJBJXKFSA-N 2 2 400.523 0.604 20 0 HCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000670532853 1078666492 /nfs/dbraw/zinc/66/64/92/1078666492.db2.gz RDKRPBYIEMMPQC-WOJBJXKFSA-N 2 2 400.523 0.604 20 0 HCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670532988 1078664815 /nfs/dbraw/zinc/66/48/15/1078664815.db2.gz KSXWNYJVJIMNAB-PMACEKPBSA-N 2 2 402.539 0.993 20 0 HCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670532988 1078664813 /nfs/dbraw/zinc/66/48/13/1078664813.db2.gz KSXWNYJVJIMNAB-PMACEKPBSA-N 2 2 402.539 0.993 20 0 HCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670532989 1078664667 /nfs/dbraw/zinc/66/46/67/1078664667.db2.gz KSXWNYJVJIMNAB-UXHICEINSA-N 2 2 402.539 0.993 20 0 HCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670532989 1078664659 /nfs/dbraw/zinc/66/46/59/1078664659.db2.gz KSXWNYJVJIMNAB-UXHICEINSA-N 2 2 402.539 0.993 20 0 HCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670532990 1078664705 /nfs/dbraw/zinc/66/47/05/1078664705.db2.gz KSXWNYJVJIMNAB-VQTJNVASSA-N 2 2 402.539 0.993 20 0 HCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670532990 1078664701 /nfs/dbraw/zinc/66/47/01/1078664701.db2.gz KSXWNYJVJIMNAB-VQTJNVASSA-N 2 2 402.539 0.993 20 0 HCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670532991 1078664802 /nfs/dbraw/zinc/66/48/02/1078664802.db2.gz KSXWNYJVJIMNAB-WOJBJXKFSA-N 2 2 402.539 0.993 20 0 HCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670532991 1078664795 /nfs/dbraw/zinc/66/47/95/1078664795.db2.gz KSXWNYJVJIMNAB-WOJBJXKFSA-N 2 2 402.539 0.993 20 0 HCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670533078 1078661820 /nfs/dbraw/zinc/66/18/20/1078661820.db2.gz YNRYYMKEZWTPSI-NRFANRHFSA-N 2 2 423.517 0.747 20 0 HCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670533078 1078661816 /nfs/dbraw/zinc/66/18/16/1078661816.db2.gz YNRYYMKEZWTPSI-NRFANRHFSA-N 2 2 423.517 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670533079 1078661937 /nfs/dbraw/zinc/66/19/37/1078661937.db2.gz YNRYYMKEZWTPSI-OAQYLSRUSA-N 2 2 423.517 0.747 20 0 HCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670533079 1078661935 /nfs/dbraw/zinc/66/19/35/1078661935.db2.gz YNRYYMKEZWTPSI-OAQYLSRUSA-N 2 2 423.517 0.747 20 0 HCADLP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533104 1078662236 /nfs/dbraw/zinc/66/22/36/1078662236.db2.gz FSLWSPIUJNVVCW-FQEVSTJZSA-N 2 2 402.539 0.994 20 0 HCADLP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533104 1078662231 /nfs/dbraw/zinc/66/22/31/1078662231.db2.gz FSLWSPIUJNVVCW-FQEVSTJZSA-N 2 2 402.539 0.994 20 0 HCADLP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533104 1078662228 /nfs/dbraw/zinc/66/22/28/1078662228.db2.gz FSLWSPIUJNVVCW-FQEVSTJZSA-N 2 2 402.539 0.994 20 0 HCADLP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533104 1078662223 /nfs/dbraw/zinc/66/22/23/1078662223.db2.gz FSLWSPIUJNVVCW-FQEVSTJZSA-N 2 2 402.539 0.994 20 0 HCADLP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533105 1078662374 /nfs/dbraw/zinc/66/23/74/1078662374.db2.gz FSLWSPIUJNVVCW-HXUWFJFHSA-N 2 2 402.539 0.994 20 0 HCADLP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533105 1078662369 /nfs/dbraw/zinc/66/23/69/1078662369.db2.gz FSLWSPIUJNVVCW-HXUWFJFHSA-N 2 2 402.539 0.994 20 0 HCADLP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533105 1078662367 /nfs/dbraw/zinc/66/23/67/1078662367.db2.gz FSLWSPIUJNVVCW-HXUWFJFHSA-N 2 2 402.539 0.994 20 0 HCADLP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000670533105 1078662362 /nfs/dbraw/zinc/66/23/62/1078662362.db2.gz FSLWSPIUJNVVCW-HXUWFJFHSA-N 2 2 402.539 0.994 20 0 HCADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670533164 1078663455 /nfs/dbraw/zinc/66/34/55/1078663455.db2.gz KFNGHAMSGORIGI-NJDAHSKKSA-N 2 2 414.550 0.946 20 0 HCADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670533164 1078663447 /nfs/dbraw/zinc/66/34/47/1078663447.db2.gz KFNGHAMSGORIGI-NJDAHSKKSA-N 2 2 414.550 0.946 20 0 HCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533164 1078663441 /nfs/dbraw/zinc/66/34/41/1078663441.db2.gz KFNGHAMSGORIGI-NJDAHSKKSA-N 2 2 414.550 0.946 20 0 HCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533164 1078663434 /nfs/dbraw/zinc/66/34/34/1078663434.db2.gz KFNGHAMSGORIGI-NJDAHSKKSA-N 2 2 414.550 0.946 20 0 HCADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670533165 1078663626 /nfs/dbraw/zinc/66/36/26/1078663626.db2.gz KFNGHAMSGORIGI-PCCBWWKXSA-N 2 2 414.550 0.946 20 0 HCADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670533165 1078663622 /nfs/dbraw/zinc/66/36/22/1078663622.db2.gz KFNGHAMSGORIGI-PCCBWWKXSA-N 2 2 414.550 0.946 20 0 HCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533165 1078663615 /nfs/dbraw/zinc/66/36/15/1078663615.db2.gz KFNGHAMSGORIGI-PCCBWWKXSA-N 2 2 414.550 0.946 20 0 HCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533165 1078663609 /nfs/dbraw/zinc/66/36/09/1078663609.db2.gz KFNGHAMSGORIGI-PCCBWWKXSA-N 2 2 414.550 0.946 20 0 HCADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670533166 1078663549 /nfs/dbraw/zinc/66/35/49/1078663549.db2.gz KFNGHAMSGORIGI-PWRODBHTSA-N 2 2 414.550 0.946 20 0 HCADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670533166 1078663543 /nfs/dbraw/zinc/66/35/43/1078663543.db2.gz KFNGHAMSGORIGI-PWRODBHTSA-N 2 2 414.550 0.946 20 0 HCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533166 1078663540 /nfs/dbraw/zinc/66/35/40/1078663540.db2.gz KFNGHAMSGORIGI-PWRODBHTSA-N 2 2 414.550 0.946 20 0 HCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533166 1078663534 /nfs/dbraw/zinc/66/35/34/1078663534.db2.gz KFNGHAMSGORIGI-PWRODBHTSA-N 2 2 414.550 0.946 20 0 HCADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000670533167 1078663349 /nfs/dbraw/zinc/66/33/49/1078663349.db2.gz KFNGHAMSGORIGI-QHAWAJNXSA-N 2 2 414.550 0.946 20 0 HCADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000670533167 1078663344 /nfs/dbraw/zinc/66/33/44/1078663344.db2.gz KFNGHAMSGORIGI-QHAWAJNXSA-N 2 2 414.550 0.946 20 0 HCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533167 1078663336 /nfs/dbraw/zinc/66/33/36/1078663336.db2.gz KFNGHAMSGORIGI-QHAWAJNXSA-N 2 2 414.550 0.946 20 0 HCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000670533167 1078663328 /nfs/dbraw/zinc/66/33/28/1078663328.db2.gz KFNGHAMSGORIGI-QHAWAJNXSA-N 2 2 414.550 0.946 20 0 HCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533434 1078659841 /nfs/dbraw/zinc/65/98/41/1078659841.db2.gz RJHVNVPNKNKLOS-FXAWDEMLSA-N 2 2 402.539 0.850 20 0 HCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533434 1078659837 /nfs/dbraw/zinc/65/98/37/1078659837.db2.gz RJHVNVPNKNKLOS-FXAWDEMLSA-N 2 2 402.539 0.850 20 0 HCADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533435 1078659742 /nfs/dbraw/zinc/65/97/42/1078659742.db2.gz RJHVNVPNKNKLOS-PXNSSMCTSA-N 2 2 402.539 0.850 20 0 HCADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533435 1078659739 /nfs/dbraw/zinc/65/97/39/1078659739.db2.gz RJHVNVPNKNKLOS-PXNSSMCTSA-N 2 2 402.539 0.850 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533436 1078659705 /nfs/dbraw/zinc/65/97/05/1078659705.db2.gz RJHVNVPNKNKLOS-XLIONFOSSA-N 2 2 402.539 0.850 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533436 1078659701 /nfs/dbraw/zinc/65/97/01/1078659701.db2.gz RJHVNVPNKNKLOS-XLIONFOSSA-N 2 2 402.539 0.850 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533437 1078659788 /nfs/dbraw/zinc/65/97/88/1078659788.db2.gz RJHVNVPNKNKLOS-YLJYHZDGSA-N 2 2 402.539 0.850 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000670533437 1078659785 /nfs/dbraw/zinc/65/97/85/1078659785.db2.gz RJHVNVPNKNKLOS-YLJYHZDGSA-N 2 2 402.539 0.850 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1OC ZINC000670533846 1078674909 /nfs/dbraw/zinc/67/49/09/1078674909.db2.gz OLIHXMRYIHTPNJ-ALKREAHSSA-N 2 2 422.526 0.258 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1OC ZINC000670533846 1078674905 /nfs/dbraw/zinc/67/49/05/1078674905.db2.gz OLIHXMRYIHTPNJ-ALKREAHSSA-N 2 2 422.526 0.258 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1OC ZINC000670533847 1078674752 /nfs/dbraw/zinc/67/47/52/1078674752.db2.gz OLIHXMRYIHTPNJ-QOKNQOGYSA-N 2 2 422.526 0.258 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1OC ZINC000670533847 1078674746 /nfs/dbraw/zinc/67/47/46/1078674746.db2.gz OLIHXMRYIHTPNJ-QOKNQOGYSA-N 2 2 422.526 0.258 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1OC ZINC000670533848 1078674832 /nfs/dbraw/zinc/67/48/32/1078674832.db2.gz OLIHXMRYIHTPNJ-SIXWZSSISA-N 2 2 422.526 0.258 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1OC ZINC000670533848 1078674830 /nfs/dbraw/zinc/67/48/30/1078674830.db2.gz OLIHXMRYIHTPNJ-SIXWZSSISA-N 2 2 422.526 0.258 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1OC ZINC000670533849 1078674694 /nfs/dbraw/zinc/67/46/94/1078674694.db2.gz OLIHXMRYIHTPNJ-URLQWDBASA-N 2 2 422.526 0.258 20 0 HCADLP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1OC ZINC000670533849 1078674687 /nfs/dbraw/zinc/67/46/87/1078674687.db2.gz OLIHXMRYIHTPNJ-URLQWDBASA-N 2 2 422.526 0.258 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000670534788 1078679016 /nfs/dbraw/zinc/67/90/16/1078679016.db2.gz KGGFGVADKFNGPE-DOTOQJQBSA-N 2 2 407.584 0.752 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000670534790 1078679165 /nfs/dbraw/zinc/67/91/65/1078679165.db2.gz KGGFGVADKFNGPE-RDJZCZTQSA-N 2 2 407.584 0.752 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000670534791 1078678964 /nfs/dbraw/zinc/67/89/64/1078678964.db2.gz KGGFGVADKFNGPE-WBVHZDCISA-N 2 2 407.584 0.752 20 0 HCADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000670534874 1078678495 /nfs/dbraw/zinc/67/84/95/1078678495.db2.gz ZCIYPDAPEKDKDU-KRWDZBQOSA-N 2 2 409.600 0.951 20 0 HCADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000670534875 1078678409 /nfs/dbraw/zinc/67/84/09/1078678409.db2.gz ZCIYPDAPEKDKDU-QGZVFWFLSA-N 2 2 409.600 0.951 20 0 HCADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C2)CC1 ZINC000670544182 1078711334 /nfs/dbraw/zinc/71/13/34/1078711334.db2.gz NOELTEWNRMNPCR-HKUYNNGSSA-N 2 2 417.554 0.817 20 0 HCADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C2)CC1 ZINC000670544183 1078711153 /nfs/dbraw/zinc/71/11/53/1078711153.db2.gz NOELTEWNRMNPCR-IEBWSBKVSA-N 2 2 417.554 0.817 20 0 HCADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C2)CC1 ZINC000670544184 1078711215 /nfs/dbraw/zinc/71/12/15/1078711215.db2.gz NOELTEWNRMNPCR-MJGOQNOKSA-N 2 2 417.554 0.817 20 0 HCADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C2)CC1 ZINC000670544185 1078711258 /nfs/dbraw/zinc/71/12/58/1078711258.db2.gz NOELTEWNRMNPCR-PKOBYXMFSA-N 2 2 417.554 0.817 20 0 HCADLP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670572525 1078849240 /nfs/dbraw/zinc/84/92/40/1078849240.db2.gz RESMKVIHLRPYRB-IBGZPJMESA-N 3 2 407.603 0.994 20 0 HCADLP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670572525 1078849234 /nfs/dbraw/zinc/84/92/34/1078849234.db2.gz RESMKVIHLRPYRB-IBGZPJMESA-N 3 2 407.603 0.994 20 0 HCADLP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670572526 1078849284 /nfs/dbraw/zinc/84/92/84/1078849284.db2.gz RESMKVIHLRPYRB-LJQANCHMSA-N 3 2 407.603 0.994 20 0 HCADLP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670572526 1078849283 /nfs/dbraw/zinc/84/92/83/1078849283.db2.gz RESMKVIHLRPYRB-LJQANCHMSA-N 3 2 407.603 0.994 20 0 HCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000670605894 1078959030 /nfs/dbraw/zinc/95/90/30/1078959030.db2.gz PSCWPAQTWKYPNF-IMFGXOCKSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000670605894 1078959026 /nfs/dbraw/zinc/95/90/26/1078959026.db2.gz PSCWPAQTWKYPNF-IMFGXOCKSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000670605895 1078959216 /nfs/dbraw/zinc/95/92/16/1078959216.db2.gz PSCWPAQTWKYPNF-KPFFTGBYSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000670605895 1078959206 /nfs/dbraw/zinc/95/92/06/1078959206.db2.gz PSCWPAQTWKYPNF-KPFFTGBYSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000670605896 1078959058 /nfs/dbraw/zinc/95/90/58/1078959058.db2.gz PSCWPAQTWKYPNF-QRFRQXIXSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000670605896 1078959050 /nfs/dbraw/zinc/95/90/50/1078959050.db2.gz PSCWPAQTWKYPNF-QRFRQXIXSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000670605897 1078958977 /nfs/dbraw/zinc/95/89/77/1078958977.db2.gz PSCWPAQTWKYPNF-XKGZKEIXSA-N 2 2 418.538 0.784 20 0 HCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000670605897 1078958973 /nfs/dbraw/zinc/95/89/73/1078958973.db2.gz PSCWPAQTWKYPNF-XKGZKEIXSA-N 2 2 418.538 0.784 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607805 1078965636 /nfs/dbraw/zinc/96/56/36/1078965636.db2.gz RWMCDXYNJPQXCK-PMACEKPBSA-N 2 2 402.539 0.599 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607806 1078965589 /nfs/dbraw/zinc/96/55/89/1078965589.db2.gz RWMCDXYNJPQXCK-UXHICEINSA-N 2 2 402.539 0.599 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607807 1078965661 /nfs/dbraw/zinc/96/56/61/1078965661.db2.gz RWMCDXYNJPQXCK-VQTJNVASSA-N 2 2 402.539 0.599 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670607808 1078965603 /nfs/dbraw/zinc/96/56/03/1078965603.db2.gz RWMCDXYNJPQXCK-WOJBJXKFSA-N 2 2 402.539 0.599 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607821 1078965751 /nfs/dbraw/zinc/96/57/51/1078965751.db2.gz SNCMWKWSKGHFKD-CTNGQTDRSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607821 1078965742 /nfs/dbraw/zinc/96/57/42/1078965742.db2.gz SNCMWKWSKGHFKD-CTNGQTDRSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607822 1078966291 /nfs/dbraw/zinc/96/62/91/1078966291.db2.gz SNCMWKWSKGHFKD-FPOVZHCZSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607822 1078966284 /nfs/dbraw/zinc/96/62/84/1078966284.db2.gz SNCMWKWSKGHFKD-FPOVZHCZSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607823 1078966438 /nfs/dbraw/zinc/96/64/38/1078966438.db2.gz SNCMWKWSKGHFKD-PZJWPPBQSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607823 1078966433 /nfs/dbraw/zinc/96/64/33/1078966433.db2.gz SNCMWKWSKGHFKD-PZJWPPBQSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607824 1078966520 /nfs/dbraw/zinc/96/65/20/1078966520.db2.gz SNCMWKWSKGHFKD-TZIWHRDSSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607824 1078966511 /nfs/dbraw/zinc/96/65/11/1078966511.db2.gz SNCMWKWSKGHFKD-TZIWHRDSSA-N 3 2 415.582 0.560 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[NH+](C)C)c1 ZINC000670622136 1079024513 /nfs/dbraw/zinc/02/45/13/1079024513.db2.gz TWVBCLUPVYPPOD-PMACEKPBSA-N 2 2 418.538 0.737 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[NH+](C)C)c1 ZINC000670622137 1079024378 /nfs/dbraw/zinc/02/43/78/1079024378.db2.gz TWVBCLUPVYPPOD-UXHICEINSA-N 2 2 418.538 0.737 20 0 HCADLP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[NH+](C)C)c1 ZINC000670622138 1079024463 /nfs/dbraw/zinc/02/44/63/1079024463.db2.gz TWVBCLUPVYPPOD-VQTJNVASSA-N 2 2 418.538 0.737 20 0 HCADLP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[NH+](C)C)c1 ZINC000670622139 1079024300 /nfs/dbraw/zinc/02/43/00/1079024300.db2.gz TWVBCLUPVYPPOD-WOJBJXKFSA-N 2 2 418.538 0.737 20 0 HCADLP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670623737 1079030649 /nfs/dbraw/zinc/03/06/49/1079030649.db2.gz IXKAFKOLCHBBGE-NRFANRHFSA-N 2 2 424.549 0.981 20 0 HCADLP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670623738 1079030830 /nfs/dbraw/zinc/03/08/30/1079030830.db2.gz IXKAFKOLCHBBGE-OAQYLSRUSA-N 2 2 424.549 0.981 20 0 HCADLP CN(CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670626928 1079038313 /nfs/dbraw/zinc/03/83/13/1079038313.db2.gz LVNGMEANUJXJDH-GOSISDBHSA-N 2 2 401.555 0.914 20 0 HCADLP CN(CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670626928 1079038305 /nfs/dbraw/zinc/03/83/05/1079038305.db2.gz LVNGMEANUJXJDH-GOSISDBHSA-N 2 2 401.555 0.914 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670628519 1079038548 /nfs/dbraw/zinc/03/85/48/1079038548.db2.gz MQUDFISKRYDKBK-PMACEKPBSA-N 2 2 400.523 0.700 20 0 HCADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670628519 1079038537 /nfs/dbraw/zinc/03/85/37/1079038537.db2.gz MQUDFISKRYDKBK-PMACEKPBSA-N 2 2 400.523 0.700 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670628520 1079038230 /nfs/dbraw/zinc/03/82/30/1079038230.db2.gz MQUDFISKRYDKBK-UXHICEINSA-N 2 2 400.523 0.700 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670628520 1079038222 /nfs/dbraw/zinc/03/82/22/1079038222.db2.gz MQUDFISKRYDKBK-UXHICEINSA-N 2 2 400.523 0.700 20 0 HCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670628521 1079038486 /nfs/dbraw/zinc/03/84/86/1079038486.db2.gz MQUDFISKRYDKBK-VQTJNVASSA-N 2 2 400.523 0.700 20 0 HCADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670628521 1079038475 /nfs/dbraw/zinc/03/84/75/1079038475.db2.gz MQUDFISKRYDKBK-VQTJNVASSA-N 2 2 400.523 0.700 20 0 HCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670628522 1079038368 /nfs/dbraw/zinc/03/83/68/1079038368.db2.gz MQUDFISKRYDKBK-WOJBJXKFSA-N 2 2 400.523 0.700 20 0 HCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670628522 1079038361 /nfs/dbraw/zinc/03/83/61/1079038361.db2.gz MQUDFISKRYDKBK-WOJBJXKFSA-N 2 2 400.523 0.700 20 0 HCADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628648 1079038890 /nfs/dbraw/zinc/03/88/90/1079038890.db2.gz FGPSUHXUTIQXLR-NRFANRHFSA-N 2 2 415.582 0.911 20 0 HCADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628648 1079038884 /nfs/dbraw/zinc/03/88/84/1079038884.db2.gz FGPSUHXUTIQXLR-NRFANRHFSA-N 2 2 415.582 0.911 20 0 HCADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628649 1079038831 /nfs/dbraw/zinc/03/88/31/1079038831.db2.gz FGPSUHXUTIQXLR-OAQYLSRUSA-N 2 2 415.582 0.911 20 0 HCADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628649 1079038827 /nfs/dbraw/zinc/03/88/27/1079038827.db2.gz FGPSUHXUTIQXLR-OAQYLSRUSA-N 2 2 415.582 0.911 20 0 HCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628738 1079044665 /nfs/dbraw/zinc/04/46/65/1079044665.db2.gz XLZZHMQAXLSWMD-CTNGQTDRSA-N 2 2 415.582 0.767 20 0 HCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628738 1079044658 /nfs/dbraw/zinc/04/46/58/1079044658.db2.gz XLZZHMQAXLSWMD-CTNGQTDRSA-N 2 2 415.582 0.767 20 0 HCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628739 1079044524 /nfs/dbraw/zinc/04/45/24/1079044524.db2.gz XLZZHMQAXLSWMD-FPOVZHCZSA-N 2 2 415.582 0.767 20 0 HCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628739 1079044519 /nfs/dbraw/zinc/04/45/19/1079044519.db2.gz XLZZHMQAXLSWMD-FPOVZHCZSA-N 2 2 415.582 0.767 20 0 HCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628740 1079044489 /nfs/dbraw/zinc/04/44/89/1079044489.db2.gz XLZZHMQAXLSWMD-PZJWPPBQSA-N 2 2 415.582 0.767 20 0 HCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628740 1079044487 /nfs/dbraw/zinc/04/44/87/1079044487.db2.gz XLZZHMQAXLSWMD-PZJWPPBQSA-N 2 2 415.582 0.767 20 0 HCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000670628741 1079044967 /nfs/dbraw/zinc/04/49/67/1079044967.db2.gz XLZZHMQAXLSWMD-TZIWHRDSSA-N 2 2 415.582 0.767 20 0 HCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628741 1079044966 /nfs/dbraw/zinc/04/49/66/1079044966.db2.gz XLZZHMQAXLSWMD-TZIWHRDSSA-N 2 2 415.582 0.767 20 0 HCADLP COc1ccccc1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670630412 1079042558 /nfs/dbraw/zinc/04/25/58/1079042558.db2.gz PSBXFPDJJJFRAH-IBGZPJMESA-N 2 2 402.539 0.981 20 0 HCADLP COc1ccccc1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670630412 1079042554 /nfs/dbraw/zinc/04/25/54/1079042554.db2.gz PSBXFPDJJJFRAH-IBGZPJMESA-N 2 2 402.539 0.981 20 0 HCADLP COc1ccccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670630413 1079042623 /nfs/dbraw/zinc/04/26/23/1079042623.db2.gz PSBXFPDJJJFRAH-LJQANCHMSA-N 2 2 402.539 0.981 20 0 HCADLP COc1ccccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670630413 1079042620 /nfs/dbraw/zinc/04/26/20/1079042620.db2.gz PSBXFPDJJJFRAH-LJQANCHMSA-N 2 2 402.539 0.981 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000670632926 1079049310 /nfs/dbraw/zinc/04/93/10/1079049310.db2.gz QRCWUVCHARRDFH-FFZOFVMBSA-N 2 2 418.538 0.784 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000670632926 1079049302 /nfs/dbraw/zinc/04/93/02/1079049302.db2.gz QRCWUVCHARRDFH-FFZOFVMBSA-N 2 2 418.538 0.784 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000670632927 1079049406 /nfs/dbraw/zinc/04/94/06/1079049406.db2.gz QRCWUVCHARRDFH-LSTHTHJFSA-N 2 2 418.538 0.784 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000670632927 1079049405 /nfs/dbraw/zinc/04/94/05/1079049405.db2.gz QRCWUVCHARRDFH-LSTHTHJFSA-N 2 2 418.538 0.784 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000670632928 1079049202 /nfs/dbraw/zinc/04/92/02/1079049202.db2.gz QRCWUVCHARRDFH-UXPWSPDFSA-N 2 2 418.538 0.784 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000670632928 1079049196 /nfs/dbraw/zinc/04/91/96/1079049196.db2.gz QRCWUVCHARRDFH-UXPWSPDFSA-N 2 2 418.538 0.784 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000670632929 1079049391 /nfs/dbraw/zinc/04/93/91/1079049391.db2.gz QRCWUVCHARRDFH-VDGAXYAQSA-N 2 2 418.538 0.784 20 0 HCADLP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+]2CCCC2)c1 ZINC000670632929 1079049384 /nfs/dbraw/zinc/04/93/84/1079049384.db2.gz QRCWUVCHARRDFH-VDGAXYAQSA-N 2 2 418.538 0.784 20 0 HCADLP CN(C(=O)C(=O)NCCCN1CCCCCC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670635178 1079058192 /nfs/dbraw/zinc/05/81/92/1079058192.db2.gz NZSWLOTVRCGYTH-LJQANCHMSA-N 2 2 421.586 0.522 20 0 HCADLP CN(C(=O)C(=O)NCCCN1CCCCCC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670635178 1079058185 /nfs/dbraw/zinc/05/81/85/1079058185.db2.gz NZSWLOTVRCGYTH-LJQANCHMSA-N 2 2 421.586 0.522 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3CCCCCC3=O)C2)CC1 ZINC000670635289 1079054565 /nfs/dbraw/zinc/05/45/65/1079054565.db2.gz SKXJDOZAGYFPLY-QGZVFWFLSA-N 2 2 407.559 0.180 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3CCCCCC3=O)C2)CC1 ZINC000670635289 1079054562 /nfs/dbraw/zinc/05/45/62/1079054562.db2.gz SKXJDOZAGYFPLY-QGZVFWFLSA-N 2 2 407.559 0.180 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCCN3CCCCCC3=O)CC2)CC1 ZINC000670635371 1079054667 /nfs/dbraw/zinc/05/46/67/1079054667.db2.gz VGIKGZKMHPQLNA-UHFFFAOYSA-N 2 2 421.586 0.570 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670635884 1079063485 /nfs/dbraw/zinc/06/34/85/1079063485.db2.gz NHYISOPISGEZBS-UHFFFAOYSA-N 2 2 409.575 0.380 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCN1CCCCCC1=O ZINC000670635884 1079063478 /nfs/dbraw/zinc/06/34/78/1079063478.db2.gz NHYISOPISGEZBS-UHFFFAOYSA-N 2 2 409.575 0.380 20 0 HCADLP CN(C(=O)C(=O)NCc1nnc2n1CCCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670662415 1079154150 /nfs/dbraw/zinc/15/41/50/1079154150.db2.gz WREGUWDHBFOLRH-KRWDZBQOSA-N 2 2 417.558 0.248 20 0 HCADLP CN(C(=O)C(=O)NCc1nnc2n1CCCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670662415 1079154145 /nfs/dbraw/zinc/15/41/45/1079154145.db2.gz WREGUWDHBFOLRH-KRWDZBQOSA-N 2 2 417.558 0.248 20 0 HCADLP CN(C(=O)C(=O)NCc1nnc2n1CCCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670662416 1079154193 /nfs/dbraw/zinc/15/41/93/1079154193.db2.gz WREGUWDHBFOLRH-QGZVFWFLSA-N 2 2 417.558 0.248 20 0 HCADLP CN(C(=O)C(=O)NCc1nnc2n1CCCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670662416 1079154191 /nfs/dbraw/zinc/15/41/91/1079154191.db2.gz WREGUWDHBFOLRH-QGZVFWFLSA-N 2 2 417.558 0.248 20 0 HCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[NH+]1CCOCC1 ZINC000670670822 1079202405 /nfs/dbraw/zinc/20/24/05/1079202405.db2.gz QDUPIAFWEAETIL-MOPGFXCFSA-N 2 2 412.575 0.323 20 0 HCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[NH+]1CCOCC1 ZINC000670670822 1079202395 /nfs/dbraw/zinc/20/23/95/1079202395.db2.gz QDUPIAFWEAETIL-MOPGFXCFSA-N 2 2 412.575 0.323 20 0 HCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[NH+]1CCOCC1 ZINC000670670823 1079202246 /nfs/dbraw/zinc/20/22/46/1079202246.db2.gz QDUPIAFWEAETIL-OALUTQOASA-N 2 2 412.575 0.323 20 0 HCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[NH+]1CCOCC1 ZINC000670670823 1079202241 /nfs/dbraw/zinc/20/22/41/1079202241.db2.gz QDUPIAFWEAETIL-OALUTQOASA-N 2 2 412.575 0.323 20 0 HCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[NH+]1CCOCC1 ZINC000670670824 1079202285 /nfs/dbraw/zinc/20/22/85/1079202285.db2.gz QDUPIAFWEAETIL-RBUKOAKNSA-N 2 2 412.575 0.323 20 0 HCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[NH+]1CCOCC1 ZINC000670670824 1079202282 /nfs/dbraw/zinc/20/22/82/1079202282.db2.gz QDUPIAFWEAETIL-RBUKOAKNSA-N 2 2 412.575 0.323 20 0 HCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[NH+]1CCOCC1 ZINC000670670825 1079202350 /nfs/dbraw/zinc/20/23/50/1079202350.db2.gz QDUPIAFWEAETIL-RTBURBONSA-N 2 2 412.575 0.323 20 0 HCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[NH+]1CCOCC1 ZINC000670670825 1079202347 /nfs/dbraw/zinc/20/23/47/1079202347.db2.gz QDUPIAFWEAETIL-RTBURBONSA-N 2 2 412.575 0.323 20 0 HCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670671797 1079204323 /nfs/dbraw/zinc/20/43/23/1079204323.db2.gz GYHICUFVNAZOPB-FQEVSTJZSA-N 2 2 402.539 0.804 20 0 HCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670671797 1079204320 /nfs/dbraw/zinc/20/43/20/1079204320.db2.gz GYHICUFVNAZOPB-FQEVSTJZSA-N 2 2 402.539 0.804 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCn3cnc4ccccc43)C2)CC1 ZINC000670672586 1079202775 /nfs/dbraw/zinc/20/27/75/1079202775.db2.gz LABJTWLIDBMXJY-KRWDZBQOSA-N 2 2 412.538 0.827 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCn3cnc4ccccc43)C2)CC1 ZINC000670672586 1079202771 /nfs/dbraw/zinc/20/27/71/1079202771.db2.gz LABJTWLIDBMXJY-KRWDZBQOSA-N 2 2 412.538 0.827 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCn3cnc4ccccc43)C2)CC1 ZINC000670672587 1079202865 /nfs/dbraw/zinc/20/28/65/1079202865.db2.gz LABJTWLIDBMXJY-QGZVFWFLSA-N 2 2 412.538 0.827 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCn3cnc4ccccc43)C2)CC1 ZINC000670672587 1079202857 /nfs/dbraw/zinc/20/28/57/1079202857.db2.gz LABJTWLIDBMXJY-QGZVFWFLSA-N 2 2 412.538 0.827 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670678547 1079211115 /nfs/dbraw/zinc/21/11/15/1079211115.db2.gz MWBALFNKNDTLOZ-FQEVSTJZSA-N 2 2 400.523 0.736 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670678547 1079211105 /nfs/dbraw/zinc/21/11/05/1079211105.db2.gz MWBALFNKNDTLOZ-FQEVSTJZSA-N 2 2 400.523 0.736 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670678548 1079211310 /nfs/dbraw/zinc/21/13/10/1079211310.db2.gz MWBALFNKNDTLOZ-HXUWFJFHSA-N 2 2 400.523 0.736 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670678548 1079211303 /nfs/dbraw/zinc/21/13/03/1079211303.db2.gz MWBALFNKNDTLOZ-HXUWFJFHSA-N 2 2 400.523 0.736 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670678629 1079213314 /nfs/dbraw/zinc/21/33/14/1079213314.db2.gz JUPOJUUMPGNGIS-PMACEKPBSA-N 2 2 400.523 0.878 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670678629 1079213308 /nfs/dbraw/zinc/21/33/08/1079213308.db2.gz JUPOJUUMPGNGIS-PMACEKPBSA-N 2 2 400.523 0.878 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670678630 1079213279 /nfs/dbraw/zinc/21/32/79/1079213279.db2.gz JUPOJUUMPGNGIS-UXHICEINSA-N 2 2 400.523 0.878 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670678630 1079213272 /nfs/dbraw/zinc/21/32/72/1079213272.db2.gz JUPOJUUMPGNGIS-UXHICEINSA-N 2 2 400.523 0.878 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670678631 1079213241 /nfs/dbraw/zinc/21/32/41/1079213241.db2.gz JUPOJUUMPGNGIS-VQTJNVASSA-N 2 2 400.523 0.878 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670678631 1079213236 /nfs/dbraw/zinc/21/32/36/1079213236.db2.gz JUPOJUUMPGNGIS-VQTJNVASSA-N 2 2 400.523 0.878 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670678632 1079213161 /nfs/dbraw/zinc/21/31/61/1079213161.db2.gz JUPOJUUMPGNGIS-WOJBJXKFSA-N 2 2 400.523 0.878 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670678632 1079213158 /nfs/dbraw/zinc/21/31/58/1079213158.db2.gz JUPOJUUMPGNGIS-WOJBJXKFSA-N 2 2 400.523 0.878 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670678707 1079213172 /nfs/dbraw/zinc/21/31/72/1079213172.db2.gz JOXKCVQJAGGLPW-UHFFFAOYSA-N 2 2 423.517 0.879 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000670678923 1079212876 /nfs/dbraw/zinc/21/28/76/1079212876.db2.gz NWNBTCVINFPHGG-KRWDZBQOSA-N 2 2 402.539 0.982 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000670678924 1079212886 /nfs/dbraw/zinc/21/28/86/1079212886.db2.gz NWNBTCVINFPHGG-QGZVFWFLSA-N 2 2 402.539 0.982 20 0 HCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000670679174 1079212669 /nfs/dbraw/zinc/21/26/69/1079212669.db2.gz YTRWZFCIDNMGRS-UHFFFAOYSA-N 2 2 402.539 0.935 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000670679213 1079211876 /nfs/dbraw/zinc/21/18/76/1079211876.db2.gz IVZYJCIMSFKTCJ-GOSISDBHSA-N 2 2 418.538 0.220 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000670679214 1079211941 /nfs/dbraw/zinc/21/19/41/1079211941.db2.gz IVZYJCIMSFKTCJ-SFHVURJKSA-N 2 2 418.538 0.220 20 0 HCADLP CN(C(=O)C(=O)NCCc1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670699401 1079241681 /nfs/dbraw/zinc/24/16/81/1079241681.db2.gz CJWFRAWOKKDUCQ-GOSISDBHSA-N 2 2 416.522 0.701 20 0 HCADLP CN(C(=O)C(=O)NCCc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670699401 1079241675 /nfs/dbraw/zinc/24/16/75/1079241675.db2.gz CJWFRAWOKKDUCQ-GOSISDBHSA-N 2 2 416.522 0.701 20 0 HCADLP CN(C(=O)C(=O)NCCc1ccc2c(c1)OCO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670699402 1079241799 /nfs/dbraw/zinc/24/17/99/1079241799.db2.gz CJWFRAWOKKDUCQ-SFHVURJKSA-N 2 2 416.522 0.701 20 0 HCADLP CN(C(=O)C(=O)NCCc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670699402 1079241792 /nfs/dbraw/zinc/24/17/92/1079241792.db2.gz CJWFRAWOKKDUCQ-SFHVURJKSA-N 2 2 416.522 0.701 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccc4c(c3)OCO4)C2)CC1 ZINC000670699451 1079241427 /nfs/dbraw/zinc/24/14/27/1079241427.db2.gz OWHTVAJSBAPPMS-INIZCTEOSA-N 2 2 402.495 0.359 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccc4c(c3)OCO4)C2)CC1 ZINC000670699451 1079241418 /nfs/dbraw/zinc/24/14/18/1079241418.db2.gz OWHTVAJSBAPPMS-INIZCTEOSA-N 2 2 402.495 0.359 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccc4c(c3)OCO4)C2)CC1 ZINC000670699452 1079241585 /nfs/dbraw/zinc/24/15/85/1079241585.db2.gz OWHTVAJSBAPPMS-MRXNPFEDSA-N 2 2 402.495 0.359 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccc4c(c3)OCO4)C2)CC1 ZINC000670699452 1079241579 /nfs/dbraw/zinc/24/15/79/1079241579.db2.gz OWHTVAJSBAPPMS-MRXNPFEDSA-N 2 2 402.495 0.359 20 0 HCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670709308 1079258763 /nfs/dbraw/zinc/25/87/63/1079258763.db2.gz WFQBHSPGJIKZTJ-FQEVSTJZSA-N 3 2 407.603 0.852 20 0 HCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670709308 1079258753 /nfs/dbraw/zinc/25/87/53/1079258753.db2.gz WFQBHSPGJIKZTJ-FQEVSTJZSA-N 3 2 407.603 0.852 20 0 HCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670709309 1079258385 /nfs/dbraw/zinc/25/83/85/1079258385.db2.gz WFQBHSPGJIKZTJ-HXUWFJFHSA-N 3 2 407.603 0.852 20 0 HCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670709309 1079258372 /nfs/dbraw/zinc/25/83/72/1079258372.db2.gz WFQBHSPGJIKZTJ-HXUWFJFHSA-N 3 2 407.603 0.852 20 0 HCADLP COc1ccc(C)cc1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670710120 1079264416 /nfs/dbraw/zinc/26/44/16/1079264416.db2.gz CZAJIRZEGZGFTF-GOSISDBHSA-N 2 2 402.539 0.947 20 0 HCADLP COc1ccc(C)cc1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670710120 1079264407 /nfs/dbraw/zinc/26/44/07/1079264407.db2.gz CZAJIRZEGZGFTF-GOSISDBHSA-N 2 2 402.539 0.947 20 0 HCADLP COc1ccc(C)cc1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670710121 1079264238 /nfs/dbraw/zinc/26/42/38/1079264238.db2.gz CZAJIRZEGZGFTF-SFHVURJKSA-N 2 2 402.539 0.947 20 0 HCADLP COc1ccc(C)cc1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670710121 1079264231 /nfs/dbraw/zinc/26/42/31/1079264231.db2.gz CZAJIRZEGZGFTF-SFHVURJKSA-N 2 2 402.539 0.947 20 0 HCADLP C[N@@H+](CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670711430 1079267957 /nfs/dbraw/zinc/26/79/57/1079267957.db2.gz VKKKMNFDPOKKMZ-FQEVSTJZSA-N 2 2 402.539 0.948 20 0 HCADLP C[N@H+](CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670711430 1079267952 /nfs/dbraw/zinc/26/79/52/1079267952.db2.gz VKKKMNFDPOKKMZ-FQEVSTJZSA-N 2 2 402.539 0.948 20 0 HCADLP C[N@@H+](CCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670711431 1079263194 /nfs/dbraw/zinc/26/31/94/1079263194.db2.gz VKKKMNFDPOKKMZ-HXUWFJFHSA-N 2 2 402.539 0.948 20 0 HCADLP C[N@H+](CCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000670711431 1079263185 /nfs/dbraw/zinc/26/31/85/1079263185.db2.gz VKKKMNFDPOKKMZ-HXUWFJFHSA-N 2 2 402.539 0.948 20 0 HCADLP C[NH+](CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711455 1079270781 /nfs/dbraw/zinc/27/07/81/1079270781.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 3 2 415.582 0.909 20 0 HCADLP C[NH+](CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711455 1079270774 /nfs/dbraw/zinc/27/07/74/1079270774.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 3 2 415.582 0.909 20 0 HCADLP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711455 1079270770 /nfs/dbraw/zinc/27/07/70/1079270770.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 3 2 415.582 0.909 20 0 HCADLP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711455 1079270762 /nfs/dbraw/zinc/27/07/62/1079270762.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 3 2 415.582 0.909 20 0 HCADLP C[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711456 1079270974 /nfs/dbraw/zinc/27/09/74/1079270974.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 3 2 415.582 0.909 20 0 HCADLP C[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711456 1079270959 /nfs/dbraw/zinc/27/09/59/1079270959.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 3 2 415.582 0.909 20 0 HCADLP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711456 1079270951 /nfs/dbraw/zinc/27/09/51/1079270951.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 3 2 415.582 0.909 20 0 HCADLP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711456 1079270940 /nfs/dbraw/zinc/27/09/40/1079270940.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 3 2 415.582 0.909 20 0 HCADLP CN(C(=O)C(=O)NCCCOC[C@@H]1CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670719061 1078479900 /nfs/dbraw/zinc/47/99/00/1078479900.db2.gz DUIKWFNOQBJLBZ-MOPGFXCFSA-N 2 2 410.559 0.315 20 0 HCADLP CN(C(=O)C(=O)NCCCOC[C@@H]1CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670719061 1078479891 /nfs/dbraw/zinc/47/98/91/1078479891.db2.gz DUIKWFNOQBJLBZ-MOPGFXCFSA-N 2 2 410.559 0.315 20 0 HCADLP CN(C(=O)C(=O)NCCCOC[C@@H]1CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670719062 1078479816 /nfs/dbraw/zinc/47/98/16/1078479816.db2.gz DUIKWFNOQBJLBZ-OALUTQOASA-N 2 2 410.559 0.315 20 0 HCADLP CN(C(=O)C(=O)NCCCOC[C@@H]1CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670719062 1078479811 /nfs/dbraw/zinc/47/98/11/1078479811.db2.gz DUIKWFNOQBJLBZ-OALUTQOASA-N 2 2 410.559 0.315 20 0 HCADLP CN(C(=O)C(=O)NCCCOC[C@H]1CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670719063 1078480865 /nfs/dbraw/zinc/48/08/65/1078480865.db2.gz DUIKWFNOQBJLBZ-RBUKOAKNSA-N 2 2 410.559 0.315 20 0 HCADLP CN(C(=O)C(=O)NCCCOC[C@H]1CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670719063 1078480862 /nfs/dbraw/zinc/48/08/62/1078480862.db2.gz DUIKWFNOQBJLBZ-RBUKOAKNSA-N 2 2 410.559 0.315 20 0 HCADLP CN(C(=O)C(=O)NCCCOC[C@H]1CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670719064 1078480824 /nfs/dbraw/zinc/48/08/24/1078480824.db2.gz DUIKWFNOQBJLBZ-RTBURBONSA-N 2 2 410.559 0.315 20 0 HCADLP CN(C(=O)C(=O)NCCCOC[C@H]1CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670719064 1078480817 /nfs/dbraw/zinc/48/08/17/1078480817.db2.gz DUIKWFNOQBJLBZ-RTBURBONSA-N 2 2 410.559 0.315 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670721945 1078490797 /nfs/dbraw/zinc/49/07/97/1078490797.db2.gz GCSVTGPOQFUSHF-GOSISDBHSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670721945 1078490787 /nfs/dbraw/zinc/49/07/87/1078490787.db2.gz GCSVTGPOQFUSHF-GOSISDBHSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670721946 1078490525 /nfs/dbraw/zinc/49/05/25/1078490525.db2.gz GCSVTGPOQFUSHF-SFHVURJKSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670721946 1078490511 /nfs/dbraw/zinc/49/05/11/1078490511.db2.gz GCSVTGPOQFUSHF-SFHVURJKSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670721955 1078490623 /nfs/dbraw/zinc/49/06/23/1078490623.db2.gz GHLHISRYPRIQKN-INIZCTEOSA-N 2 2 404.511 0.475 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670721955 1078490611 /nfs/dbraw/zinc/49/06/11/1078490611.db2.gz GHLHISRYPRIQKN-INIZCTEOSA-N 2 2 404.511 0.475 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670721956 1078490861 /nfs/dbraw/zinc/49/08/61/1078490861.db2.gz GHLHISRYPRIQKN-MRXNPFEDSA-N 2 2 404.511 0.475 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670721956 1078490850 /nfs/dbraw/zinc/49/08/50/1078490850.db2.gz GHLHISRYPRIQKN-MRXNPFEDSA-N 2 2 404.511 0.475 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000670721960 1078490688 /nfs/dbraw/zinc/49/06/88/1078490688.db2.gz GJYHXMKFPVHMEF-UHFFFAOYSA-N 2 2 406.527 0.675 20 0 HCADLP COc1ccc(OCCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000670721960 1078490669 /nfs/dbraw/zinc/49/06/69/1078490669.db2.gz GJYHXMKFPVHMEF-UHFFFAOYSA-N 2 2 406.527 0.675 20 0 HCADLP CN(C(=O)C(=O)NCc1cn2ccsc2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670726704 1078520140 /nfs/dbraw/zinc/52/01/40/1078520140.db2.gz TXMOHMKIIGPGQA-INIZCTEOSA-N 2 2 404.540 0.639 20 0 HCADLP CN(C(=O)C(=O)NCc1cn2ccsc2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670726704 1078520130 /nfs/dbraw/zinc/52/01/30/1078520130.db2.gz TXMOHMKIIGPGQA-INIZCTEOSA-N 2 2 404.540 0.639 20 0 HCADLP CN(C(=O)C(=O)NCc1cn2ccsc2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670726705 1078520685 /nfs/dbraw/zinc/52/06/85/1078520685.db2.gz TXMOHMKIIGPGQA-MRXNPFEDSA-N 2 2 404.540 0.639 20 0 HCADLP CN(C(=O)C(=O)NCc1cn2ccsc2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670726705 1078520669 /nfs/dbraw/zinc/52/06/69/1078520669.db2.gz TXMOHMKIIGPGQA-MRXNPFEDSA-N 2 2 404.540 0.639 20 0 HCADLP Cn1ccnc1[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730738 1078544419 /nfs/dbraw/zinc/54/44/19/1078544419.db2.gz KOOLRLQQJSIYLM-AZUAARDMSA-N 2 2 424.549 0.910 20 0 HCADLP Cn1ccnc1[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730738 1078544409 /nfs/dbraw/zinc/54/44/09/1078544409.db2.gz KOOLRLQQJSIYLM-AZUAARDMSA-N 2 2 424.549 0.910 20 0 HCADLP Cn1ccnc1[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730739 1078544575 /nfs/dbraw/zinc/54/45/75/1078544575.db2.gz KOOLRLQQJSIYLM-ICSRJNTNSA-N 2 2 424.549 0.910 20 0 HCADLP Cn1ccnc1[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730739 1078544569 /nfs/dbraw/zinc/54/45/69/1078544569.db2.gz KOOLRLQQJSIYLM-ICSRJNTNSA-N 2 2 424.549 0.910 20 0 HCADLP Cn1ccnc1[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730740 1078544490 /nfs/dbraw/zinc/54/44/90/1078544490.db2.gz KOOLRLQQJSIYLM-QUCCMNQESA-N 2 2 424.549 0.910 20 0 HCADLP Cn1ccnc1[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730740 1078544479 /nfs/dbraw/zinc/54/44/79/1078544479.db2.gz KOOLRLQQJSIYLM-QUCCMNQESA-N 2 2 424.549 0.910 20 0 HCADLP Cn1ccnc1[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730741 1078544283 /nfs/dbraw/zinc/54/42/83/1078544283.db2.gz KOOLRLQQJSIYLM-UYAOXDASSA-N 2 2 424.549 0.910 20 0 HCADLP Cn1ccnc1[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670730741 1078544277 /nfs/dbraw/zinc/54/42/77/1078544277.db2.gz KOOLRLQQJSIYLM-UYAOXDASSA-N 2 2 424.549 0.910 20 0 HCADLP CN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670737729 1078574615 /nfs/dbraw/zinc/57/46/15/1078574615.db2.gz IIRDHPLTBXHUIN-FQEVSTJZSA-N 2 2 401.555 0.866 20 0 HCADLP CN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670737729 1078574610 /nfs/dbraw/zinc/57/46/10/1078574610.db2.gz IIRDHPLTBXHUIN-FQEVSTJZSA-N 2 2 401.555 0.866 20 0 HCADLP CN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670737730 1078574579 /nfs/dbraw/zinc/57/45/79/1078574579.db2.gz IIRDHPLTBXHUIN-HXUWFJFHSA-N 2 2 401.555 0.866 20 0 HCADLP CN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000670737730 1078574571 /nfs/dbraw/zinc/57/45/71/1078574571.db2.gz IIRDHPLTBXHUIN-HXUWFJFHSA-N 2 2 401.555 0.866 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccccc3Cn3cccn3)C2)CC1 ZINC000670743713 1078621759 /nfs/dbraw/zinc/62/17/59/1078621759.db2.gz UPOAYKHGCAWLOX-FQEVSTJZSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccccc3Cn3cccn3)C2)CC1 ZINC000670743713 1078621755 /nfs/dbraw/zinc/62/17/55/1078621755.db2.gz UPOAYKHGCAWLOX-FQEVSTJZSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccccc3Cn3cccn3)C2)CC1 ZINC000670743714 1078621830 /nfs/dbraw/zinc/62/18/30/1078621830.db2.gz UPOAYKHGCAWLOX-HXUWFJFHSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccccc3Cn3cccn3)C2)CC1 ZINC000670743714 1078621824 /nfs/dbraw/zinc/62/18/24/1078621824.db2.gz UPOAYKHGCAWLOX-HXUWFJFHSA-N 2 2 424.549 0.832 20 0 HCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000670772450 1078681865 /nfs/dbraw/zinc/68/18/65/1078681865.db2.gz SEAZRCSCFAHBEW-CALCHBBNSA-N 2 2 403.527 0.734 20 0 HCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000670772450 1078681861 /nfs/dbraw/zinc/68/18/61/1078681861.db2.gz SEAZRCSCFAHBEW-CALCHBBNSA-N 2 2 403.527 0.734 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000670772451 1078681933 /nfs/dbraw/zinc/68/19/33/1078681933.db2.gz SEAZRCSCFAHBEW-IAGOWNOFSA-N 2 2 403.527 0.734 20 0 HCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000670772452 1078681979 /nfs/dbraw/zinc/68/19/79/1078681979.db2.gz SEAZRCSCFAHBEW-IRXDYDNUSA-N 2 2 403.527 0.734 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC000670772815 1078686140 /nfs/dbraw/zinc/68/61/40/1078686140.db2.gz OCENYLAHECNCIH-CEXWTWQISA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000670772815 1078686137 /nfs/dbraw/zinc/68/61/37/1078686137.db2.gz OCENYLAHECNCIH-CEXWTWQISA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000670772815 1078686135 /nfs/dbraw/zinc/68/61/35/1078686135.db2.gz OCENYLAHECNCIH-CEXWTWQISA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000670772815 1078686133 /nfs/dbraw/zinc/68/61/33/1078686133.db2.gz OCENYLAHECNCIH-CEXWTWQISA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000670772816 1078686097 /nfs/dbraw/zinc/68/60/97/1078686097.db2.gz OCENYLAHECNCIH-GUDVDZBRSA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000670772816 1078686094 /nfs/dbraw/zinc/68/60/94/1078686094.db2.gz OCENYLAHECNCIH-GUDVDZBRSA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC000670772817 1078686037 /nfs/dbraw/zinc/68/60/37/1078686037.db2.gz OCENYLAHECNCIH-OTWHNJEPSA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000670772817 1078686033 /nfs/dbraw/zinc/68/60/33/1078686033.db2.gz OCENYLAHECNCIH-OTWHNJEPSA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000670772817 1078686032 /nfs/dbraw/zinc/68/60/32/1078686032.db2.gz OCENYLAHECNCIH-OTWHNJEPSA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000670772817 1078686029 /nfs/dbraw/zinc/68/60/29/1078686029.db2.gz OCENYLAHECNCIH-OTWHNJEPSA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000670772818 1078686125 /nfs/dbraw/zinc/68/61/25/1078686125.db2.gz OCENYLAHECNCIH-QRVBRYPASA-N 2 2 423.602 0.229 20 0 HCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000670772818 1078686123 /nfs/dbraw/zinc/68/61/23/1078686123.db2.gz OCENYLAHECNCIH-QRVBRYPASA-N 2 2 423.602 0.229 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670777122 1078691859 /nfs/dbraw/zinc/69/18/59/1078691859.db2.gz VUQZUAGXITUGMR-GOSISDBHSA-N 2 2 410.522 0.773 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670777122 1078691854 /nfs/dbraw/zinc/69/18/54/1078691854.db2.gz VUQZUAGXITUGMR-GOSISDBHSA-N 2 2 410.522 0.773 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670777123 1078691961 /nfs/dbraw/zinc/69/19/61/1078691961.db2.gz VUQZUAGXITUGMR-SFHVURJKSA-N 2 2 410.522 0.773 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670777123 1078691959 /nfs/dbraw/zinc/69/19/59/1078691959.db2.gz VUQZUAGXITUGMR-SFHVURJKSA-N 2 2 410.522 0.773 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000670782608 1078696697 /nfs/dbraw/zinc/69/66/97/1078696697.db2.gz IMHSXEATIFOTPB-GOSISDBHSA-N 2 2 401.511 0.416 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000670782608 1078696692 /nfs/dbraw/zinc/69/66/92/1078696692.db2.gz IMHSXEATIFOTPB-GOSISDBHSA-N 2 2 401.511 0.416 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000670782609 1078696803 /nfs/dbraw/zinc/69/68/03/1078696803.db2.gz IMHSXEATIFOTPB-SFHVURJKSA-N 2 2 401.511 0.416 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000670782609 1078696801 /nfs/dbraw/zinc/69/68/01/1078696801.db2.gz IMHSXEATIFOTPB-SFHVURJKSA-N 2 2 401.511 0.416 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670785889 1078701948 /nfs/dbraw/zinc/70/19/48/1078701948.db2.gz FQISQZPFPFLEKQ-IBGZPJMESA-N 2 2 424.549 0.816 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670785889 1078701944 /nfs/dbraw/zinc/70/19/44/1078701944.db2.gz FQISQZPFPFLEKQ-IBGZPJMESA-N 2 2 424.549 0.816 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670785890 1078701927 /nfs/dbraw/zinc/70/19/27/1078701927.db2.gz FQISQZPFPFLEKQ-LJQANCHMSA-N 2 2 424.549 0.816 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000670785890 1078701923 /nfs/dbraw/zinc/70/19/23/1078701923.db2.gz FQISQZPFPFLEKQ-LJQANCHMSA-N 2 2 424.549 0.816 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cn2)CC1 ZINC000670786511 1078700858 /nfs/dbraw/zinc/70/08/58/1078700858.db2.gz CSOWJAFNZUPKTL-GOSISDBHSA-N 2 2 423.521 0.240 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cn2)CC1 ZINC000670786512 1078700711 /nfs/dbraw/zinc/70/07/11/1078700711.db2.gz CSOWJAFNZUPKTL-SFHVURJKSA-N 2 2 423.521 0.240 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)cn2)CC1 ZINC000670786571 1078700659 /nfs/dbraw/zinc/70/06/59/1078700659.db2.gz AXYXSSASMOZPAA-FQEVSTJZSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)cn2)CC1 ZINC000670786571 1078700649 /nfs/dbraw/zinc/70/06/49/1078700649.db2.gz AXYXSSASMOZPAA-FQEVSTJZSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)cn2)CC1 ZINC000670786572 1078700808 /nfs/dbraw/zinc/70/08/08/1078700808.db2.gz AXYXSSASMOZPAA-HXUWFJFHSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)cn2)CC1 ZINC000670786572 1078700805 /nfs/dbraw/zinc/70/08/05/1078700805.db2.gz AXYXSSASMOZPAA-HXUWFJFHSA-N 2 2 422.533 0.753 20 0 HCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000670786621 1078701303 /nfs/dbraw/zinc/70/13/03/1078701303.db2.gz KSIYHQJZLZSADZ-DLBZAZTESA-N 2 2 402.543 0.391 20 0 HCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000670786621 1078701298 /nfs/dbraw/zinc/70/12/98/1078701298.db2.gz KSIYHQJZLZSADZ-DLBZAZTESA-N 2 2 402.543 0.391 20 0 HCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000670786622 1078701377 /nfs/dbraw/zinc/70/13/77/1078701377.db2.gz KSIYHQJZLZSADZ-IAGOWNOFSA-N 2 2 402.543 0.391 20 0 HCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000670786622 1078701370 /nfs/dbraw/zinc/70/13/70/1078701370.db2.gz KSIYHQJZLZSADZ-IAGOWNOFSA-N 2 2 402.543 0.391 20 0 HCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000670786623 1078701556 /nfs/dbraw/zinc/70/15/56/1078701556.db2.gz KSIYHQJZLZSADZ-IRXDYDNUSA-N 2 2 402.543 0.391 20 0 HCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000670786623 1078701552 /nfs/dbraw/zinc/70/15/52/1078701552.db2.gz KSIYHQJZLZSADZ-IRXDYDNUSA-N 2 2 402.543 0.391 20 0 HCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000670786624 1078701489 /nfs/dbraw/zinc/70/14/89/1078701489.db2.gz KSIYHQJZLZSADZ-SJORKVTESA-N 2 2 402.543 0.391 20 0 HCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000670786624 1078701476 /nfs/dbraw/zinc/70/14/76/1078701476.db2.gz KSIYHQJZLZSADZ-SJORKVTESA-N 2 2 402.543 0.391 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cn2)CC1 ZINC000670786762 1078701896 /nfs/dbraw/zinc/70/18/96/1078701896.db2.gz BUHNPIHDEAKHPG-GOSISDBHSA-N 2 2 411.510 0.510 20 0 HCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cn2)CC1 ZINC000670786763 1078702040 /nfs/dbraw/zinc/70/20/40/1078702040.db2.gz BUHNPIHDEAKHPG-SFHVURJKSA-N 2 2 411.510 0.510 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670790304 1078706012 /nfs/dbraw/zinc/70/60/12/1078706012.db2.gz CQNXPMJSDZYMQR-GOSISDBHSA-N 2 2 401.511 0.546 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670790304 1078706006 /nfs/dbraw/zinc/70/60/06/1078706006.db2.gz CQNXPMJSDZYMQR-GOSISDBHSA-N 2 2 401.511 0.546 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670790305 1078706181 /nfs/dbraw/zinc/70/61/81/1078706181.db2.gz CQNXPMJSDZYMQR-SFHVURJKSA-N 2 2 401.511 0.546 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670790305 1078706174 /nfs/dbraw/zinc/70/61/74/1078706174.db2.gz CQNXPMJSDZYMQR-SFHVURJKSA-N 2 2 401.511 0.546 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670790331 1078706104 /nfs/dbraw/zinc/70/61/04/1078706104.db2.gz OUCSXUPBPDEQSW-FQEVSTJZSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670790331 1078706097 /nfs/dbraw/zinc/70/60/97/1078706097.db2.gz OUCSXUPBPDEQSW-FQEVSTJZSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670790332 1078705979 /nfs/dbraw/zinc/70/59/79/1078705979.db2.gz OUCSXUPBPDEQSW-HXUWFJFHSA-N 2 2 415.538 0.888 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670790332 1078705975 /nfs/dbraw/zinc/70/59/75/1078705975.db2.gz OUCSXUPBPDEQSW-HXUWFJFHSA-N 2 2 415.538 0.888 20 0 HCADLP CN(C)C(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670803445 1078723073 /nfs/dbraw/zinc/72/30/73/1078723073.db2.gz JSXCEZBRBNDBTM-GOSISDBHSA-N 2 2 415.538 0.289 20 0 HCADLP CN(C)C(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670803445 1078723069 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1078789764 /nfs/dbraw/zinc/78/97/64/1078789764.db2.gz COYNCVGULCBFIN-MJGOQNOKSA-N 2 2 414.554 0.385 20 0 HCADLP Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000670839554 1078789753 /nfs/dbraw/zinc/78/97/53/1078789753.db2.gz COYNCVGULCBFIN-MJGOQNOKSA-N 2 2 414.554 0.385 20 0 HCADLP Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000670839555 1078790020 /nfs/dbraw/zinc/79/00/20/1078790020.db2.gz COYNCVGULCBFIN-PKOBYXMFSA-N 2 2 414.554 0.385 20 0 HCADLP Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000670839555 1078790015 /nfs/dbraw/zinc/79/00/15/1078790015.db2.gz COYNCVGULCBFIN-PKOBYXMFSA-N 2 2 414.554 0.385 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000670841004 1078796643 /nfs/dbraw/zinc/79/66/43/1078796643.db2.gz DUSVGSZWFVAVNZ-GOSISDBHSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000670841004 1078796634 /nfs/dbraw/zinc/79/66/34/1078796634.db2.gz DUSVGSZWFVAVNZ-GOSISDBHSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000670841005 1078796527 /nfs/dbraw/zinc/79/65/27/1078796527.db2.gz DUSVGSZWFVAVNZ-SFHVURJKSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000670841005 1078796521 /nfs/dbraw/zinc/79/65/21/1078796521.db2.gz DUSVGSZWFVAVNZ-SFHVURJKSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000670841009 1078796723 /nfs/dbraw/zinc/79/67/23/1078796723.db2.gz HGQXUCLMJSMJCN-INIZCTEOSA-N 2 2 404.511 0.605 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000670841009 1078796719 /nfs/dbraw/zinc/79/67/19/1078796719.db2.gz HGQXUCLMJSMJCN-INIZCTEOSA-N 2 2 404.511 0.605 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000670841010 1078796678 /nfs/dbraw/zinc/79/66/78/1078796678.db2.gz HGQXUCLMJSMJCN-MRXNPFEDSA-N 2 2 404.511 0.605 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000670841010 1078796672 /nfs/dbraw/zinc/79/66/72/1078796672.db2.gz HGQXUCLMJSMJCN-MRXNPFEDSA-N 2 2 404.511 0.605 20 0 HCADLP COc1ccc(OC)c(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670843663 1078799703 /nfs/dbraw/zinc/79/97/03/1078799703.db2.gz QTVYLRBYKAHSPO-KRWDZBQOSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(OC)c(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670843663 1078799698 /nfs/dbraw/zinc/79/96/98/1078799698.db2.gz QTVYLRBYKAHSPO-KRWDZBQOSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(OC)c(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670843664 1078799745 /nfs/dbraw/zinc/79/97/45/1078799745.db2.gz QTVYLRBYKAHSPO-QGZVFWFLSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(OC)c(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670843664 1078799739 /nfs/dbraw/zinc/79/97/39/1078799739.db2.gz QTVYLRBYKAHSPO-QGZVFWFLSA-N 2 2 418.538 0.647 20 0 HCADLP CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670854489 1078811331 /nfs/dbraw/zinc/81/13/31/1078811331.db2.gz QKLRNIQNYCKZOE-FQEVSTJZSA-N 2 2 401.555 0.996 20 0 HCADLP CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670854489 1078811328 /nfs/dbraw/zinc/81/13/28/1078811328.db2.gz QKLRNIQNYCKZOE-FQEVSTJZSA-N 2 2 401.555 0.996 20 0 HCADLP CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670854490 1078811359 /nfs/dbraw/zinc/81/13/59/1078811359.db2.gz QKLRNIQNYCKZOE-HXUWFJFHSA-N 2 2 401.555 0.996 20 0 HCADLP CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670854490 1078811357 /nfs/dbraw/zinc/81/13/57/1078811357.db2.gz QKLRNIQNYCKZOE-HXUWFJFHSA-N 2 2 401.555 0.996 20 0 HCADLP CN(C(=O)C(=O)NCCn1cnc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670858913 1078814003 /nfs/dbraw/zinc/81/40/03/1078814003.db2.gz YXXSUEWBYUVVRN-GOSISDBHSA-N 2 2 412.538 0.779 20 0 HCADLP CN(C(=O)C(=O)NCCn1cnc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670858913 1078814000 /nfs/dbraw/zinc/81/40/00/1078814000.db2.gz YXXSUEWBYUVVRN-GOSISDBHSA-N 2 2 412.538 0.779 20 0 HCADLP CN(C(=O)C(=O)NCCn1cnc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670858914 1078814037 /nfs/dbraw/zinc/81/40/37/1078814037.db2.gz YXXSUEWBYUVVRN-SFHVURJKSA-N 2 2 412.538 0.779 20 0 HCADLP CN(C(=O)C(=O)NCCn1cnc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670858914 1078814035 /nfs/dbraw/zinc/81/40/35/1078814035.db2.gz YXXSUEWBYUVVRN-SFHVURJKSA-N 2 2 412.538 0.779 20 0 HCADLP COc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000670860504 1078813262 /nfs/dbraw/zinc/81/32/62/1078813262.db2.gz GDNRHRSGLUOVMS-INIZCTEOSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000670860504 1078813260 /nfs/dbraw/zinc/81/32/60/1078813260.db2.gz GDNRHRSGLUOVMS-INIZCTEOSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000670860565 1078813618 /nfs/dbraw/zinc/81/36/18/1078813618.db2.gz ZZIMRXZCEPJJDL-GOSISDBHSA-N 2 2 418.538 0.947 20 0 HCADLP COc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000670860565 1078813614 /nfs/dbraw/zinc/81/36/14/1078813614.db2.gz ZZIMRXZCEPJJDL-GOSISDBHSA-N 2 2 418.538 0.947 20 0 HCADLP CCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670874145 1078825362 /nfs/dbraw/zinc/82/53/62/1078825362.db2.gz FDIWXAJORSONOC-GOSISDBHSA-N 2 2 415.538 0.936 20 0 HCADLP CCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670874145 1078825357 /nfs/dbraw/zinc/82/53/57/1078825357.db2.gz FDIWXAJORSONOC-GOSISDBHSA-N 2 2 415.538 0.936 20 0 HCADLP CCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670874146 1078825276 /nfs/dbraw/zinc/82/52/76/1078825276.db2.gz FDIWXAJORSONOC-SFHVURJKSA-N 2 2 415.538 0.936 20 0 HCADLP CCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670874146 1078825272 /nfs/dbraw/zinc/82/52/72/1078825272.db2.gz FDIWXAJORSONOC-SFHVURJKSA-N 2 2 415.538 0.936 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000670878013 1078827836 /nfs/dbraw/zinc/82/78/36/1078827836.db2.gz FJJMKQUKDWDNMO-PMACEKPBSA-N 2 2 401.555 0.690 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000670878013 1078827835 /nfs/dbraw/zinc/82/78/35/1078827835.db2.gz FJJMKQUKDWDNMO-PMACEKPBSA-N 2 2 401.555 0.690 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000670878014 1078827865 /nfs/dbraw/zinc/82/78/65/1078827865.db2.gz FJJMKQUKDWDNMO-UXHICEINSA-N 2 2 401.555 0.690 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000670878014 1078827862 /nfs/dbraw/zinc/82/78/62/1078827862.db2.gz FJJMKQUKDWDNMO-UXHICEINSA-N 2 2 401.555 0.690 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000670878015 1078827738 /nfs/dbraw/zinc/82/77/38/1078827738.db2.gz FJJMKQUKDWDNMO-VQTJNVASSA-N 2 2 401.555 0.690 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000670878015 1078827737 /nfs/dbraw/zinc/82/77/37/1078827737.db2.gz FJJMKQUKDWDNMO-VQTJNVASSA-N 2 2 401.555 0.690 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000670878016 1078825767 /nfs/dbraw/zinc/82/57/67/1078825767.db2.gz FJJMKQUKDWDNMO-WOJBJXKFSA-N 2 2 401.555 0.690 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000670878016 1078825765 /nfs/dbraw/zinc/82/57/65/1078825765.db2.gz FJJMKQUKDWDNMO-WOJBJXKFSA-N 2 2 401.555 0.690 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c(N2CCCC2)[nH+]1 ZINC000670878062 1078827098 /nfs/dbraw/zinc/82/70/98/1078827098.db2.gz SQERZXQJYRPTCQ-UHFFFAOYSA-N 2 2 416.570 0.749 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670878596 1078826735 /nfs/dbraw/zinc/82/67/35/1078826735.db2.gz OYDUSQBWNODAQP-DNVCBOLYSA-N 2 2 406.502 0.742 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670878596 1078826733 /nfs/dbraw/zinc/82/67/33/1078826733.db2.gz OYDUSQBWNODAQP-DNVCBOLYSA-N 2 2 406.502 0.742 20 0 HCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670878598 1078826775 /nfs/dbraw/zinc/82/67/75/1078826775.db2.gz OYDUSQBWNODAQP-KXBFYZLASA-N 2 2 406.502 0.742 20 0 HCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670878598 1078826773 /nfs/dbraw/zinc/82/67/73/1078826773.db2.gz OYDUSQBWNODAQP-KXBFYZLASA-N 2 2 406.502 0.742 20 0 HCADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670879175 1078828940 /nfs/dbraw/zinc/82/89/40/1078828940.db2.gz VCJPDUWHSUMENX-FQEVSTJZSA-N 2 2 415.538 0.485 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000670879285 1078828280 /nfs/dbraw/zinc/82/82/80/1078828280.db2.gz GTSWYNHQWVXHBD-IBGZPJMESA-N 2 2 408.506 0.952 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000670879286 1078828332 /nfs/dbraw/zinc/82/83/32/1078828332.db2.gz GTSWYNHQWVXHBD-LJQANCHMSA-N 2 2 408.506 0.952 20 0 HCADLP COc1cccc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670880006 1078830661 /nfs/dbraw/zinc/83/06/61/1078830661.db2.gz GJXBMTOWAOCRIC-IBGZPJMESA-N 2 2 402.539 0.981 20 0 HCADLP COc1cccc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670880006 1078830658 /nfs/dbraw/zinc/83/06/58/1078830658.db2.gz GJXBMTOWAOCRIC-IBGZPJMESA-N 2 2 402.539 0.981 20 0 HCADLP COc1cccc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670880007 1078830731 /nfs/dbraw/zinc/83/07/31/1078830731.db2.gz GJXBMTOWAOCRIC-LJQANCHMSA-N 2 2 402.539 0.981 20 0 HCADLP COc1cccc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670880007 1078830729 /nfs/dbraw/zinc/83/07/29/1078830729.db2.gz GJXBMTOWAOCRIC-LJQANCHMSA-N 2 2 402.539 0.981 20 0 HCADLP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000670883784 1078832810 /nfs/dbraw/zinc/83/28/10/1078832810.db2.gz WFJWWSQJFCDUQT-FQEVSTJZSA-N 2 2 418.538 0.566 20 0 HCADLP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000670883785 1078832868 /nfs/dbraw/zinc/83/28/68/1078832868.db2.gz WFJWWSQJFCDUQT-HXUWFJFHSA-N 2 2 418.538 0.566 20 0 HCADLP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000670884774 1078833261 /nfs/dbraw/zinc/83/32/61/1078833261.db2.gz ITPAHIDKJPYMQP-FQEVSTJZSA-N 2 2 418.538 0.566 20 0 HCADLP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000670884775 1078833617 /nfs/dbraw/zinc/83/36/17/1078833617.db2.gz ITPAHIDKJPYMQP-HXUWFJFHSA-N 2 2 418.538 0.566 20 0 HCADLP CCNC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670889573 1078838501 /nfs/dbraw/zinc/83/85/01/1078838501.db2.gz JVIPRCKBNKGGDO-GOSISDBHSA-N 2 2 415.538 0.337 20 0 HCADLP CCNC(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670889573 1078838498 /nfs/dbraw/zinc/83/84/98/1078838498.db2.gz JVIPRCKBNKGGDO-GOSISDBHSA-N 2 2 415.538 0.337 20 0 HCADLP CCNC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670889574 1078838517 /nfs/dbraw/zinc/83/85/17/1078838517.db2.gz JVIPRCKBNKGGDO-SFHVURJKSA-N 2 2 415.538 0.337 20 0 HCADLP CCNC(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670889574 1078838514 /nfs/dbraw/zinc/83/85/14/1078838514.db2.gz JVIPRCKBNKGGDO-SFHVURJKSA-N 2 2 415.538 0.337 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccn2)CC1 ZINC000670892266 1078843293 /nfs/dbraw/zinc/84/32/93/1078843293.db2.gz ZZZZNBJJOWGJTL-GOSISDBHSA-N 2 2 423.521 0.240 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccn2)CC1 ZINC000670892267 1078843211 /nfs/dbraw/zinc/84/32/11/1078843211.db2.gz ZZZZNBJJOWGJTL-SFHVURJKSA-N 2 2 423.521 0.240 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000670892298 1078843350 /nfs/dbraw/zinc/84/33/50/1078843350.db2.gz JRNSTGJQEKYHQJ-FQEVSTJZSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000670892298 1078843349 /nfs/dbraw/zinc/84/33/49/1078843349.db2.gz JRNSTGJQEKYHQJ-FQEVSTJZSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000670892299 1078843249 /nfs/dbraw/zinc/84/32/49/1078843249.db2.gz JRNSTGJQEKYHQJ-HXUWFJFHSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000670892299 1078843248 /nfs/dbraw/zinc/84/32/48/1078843248.db2.gz JRNSTGJQEKYHQJ-HXUWFJFHSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)ccn2)CC1 ZINC000670892439 1078842864 /nfs/dbraw/zinc/84/28/64/1078842864.db2.gz ZVVLMSANBIHSBK-GOSISDBHSA-N 2 2 411.510 0.510 20 0 HCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)ccn2)CC1 ZINC000670892440 1078842768 /nfs/dbraw/zinc/84/27/68/1078842768.db2.gz ZVVLMSANBIHSBK-SFHVURJKSA-N 2 2 411.510 0.510 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894675 1078844014 /nfs/dbraw/zinc/84/40/14/1078844014.db2.gz HVTCIOWNQCRCIM-GOSISDBHSA-N 3 2 405.587 0.794 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894675 1078844013 /nfs/dbraw/zinc/84/40/13/1078844013.db2.gz HVTCIOWNQCRCIM-GOSISDBHSA-N 3 2 405.587 0.794 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894676 1078844055 /nfs/dbraw/zinc/84/40/55/1078844055.db2.gz HVTCIOWNQCRCIM-SFHVURJKSA-N 3 2 405.587 0.794 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894676 1078844054 /nfs/dbraw/zinc/84/40/54/1078844054.db2.gz HVTCIOWNQCRCIM-SFHVURJKSA-N 3 2 405.587 0.794 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C2)CC1 ZINC000670899386 1078845989 /nfs/dbraw/zinc/84/59/89/1078845989.db2.gz OLAQDRUOIAAHFJ-KRWDZBQOSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C2)CC1 ZINC000670899386 1078845987 /nfs/dbraw/zinc/84/59/87/1078845987.db2.gz OLAQDRUOIAAHFJ-KRWDZBQOSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C2)CC1 ZINC000670899387 1078845889 /nfs/dbraw/zinc/84/58/89/1078845889.db2.gz OLAQDRUOIAAHFJ-QGZVFWFLSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C2)CC1 ZINC000670899387 1078845887 /nfs/dbraw/zinc/84/58/87/1078845887.db2.gz OLAQDRUOIAAHFJ-QGZVFWFLSA-N 2 2 411.510 0.168 20 0 HCADLP CCOc1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670903424 1078849079 /nfs/dbraw/zinc/84/90/79/1078849079.db2.gz WGEVIXGPFVQKTM-GOSISDBHSA-N 2 2 403.527 0.723 20 0 HCADLP CCOc1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670903424 1078849077 /nfs/dbraw/zinc/84/90/77/1078849077.db2.gz WGEVIXGPFVQKTM-GOSISDBHSA-N 2 2 403.527 0.723 20 0 HCADLP CCOc1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670903425 1078849002 /nfs/dbraw/zinc/84/90/02/1078849002.db2.gz WGEVIXGPFVQKTM-SFHVURJKSA-N 2 2 403.527 0.723 20 0 HCADLP CCOc1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670903425 1078849001 /nfs/dbraw/zinc/84/90/01/1078849001.db2.gz WGEVIXGPFVQKTM-SFHVURJKSA-N 2 2 403.527 0.723 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000670910056 1078852802 /nfs/dbraw/zinc/85/28/02/1078852802.db2.gz SBGGCRSQXYLSHF-KRWDZBQOSA-N 2 2 404.511 0.644 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000670910056 1078852800 /nfs/dbraw/zinc/85/28/00/1078852800.db2.gz SBGGCRSQXYLSHF-KRWDZBQOSA-N 2 2 404.511 0.644 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000670910057 1078852874 /nfs/dbraw/zinc/85/28/74/1078852874.db2.gz SBGGCRSQXYLSHF-QGZVFWFLSA-N 2 2 404.511 0.644 20 0 HCADLP COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000670910057 1078852872 /nfs/dbraw/zinc/85/28/72/1078852872.db2.gz SBGGCRSQXYLSHF-QGZVFWFLSA-N 2 2 404.511 0.644 20 0 HCADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670958279 1078869601 /nfs/dbraw/zinc/86/96/01/1078869601.db2.gz GHIIYIJKVPTOAG-FQEVSTJZSA-N 2 2 415.538 0.485 20 0 HCADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670958280 1078869635 /nfs/dbraw/zinc/86/96/35/1078869635.db2.gz GHIIYIJKVPTOAG-HXUWFJFHSA-N 2 2 415.538 0.485 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000670958426 1078869138 /nfs/dbraw/zinc/86/91/38/1078869138.db2.gz ZMXLUBHDATXQNP-IBGZPJMESA-N 2 2 408.506 0.952 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000670958427 1078869222 /nfs/dbraw/zinc/86/92/22/1078869222.db2.gz ZMXLUBHDATXQNP-LJQANCHMSA-N 2 2 408.506 0.952 20 0 HCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000670960489 1078871956 /nfs/dbraw/zinc/87/19/56/1078871956.db2.gz MHRWIRJGCBWTRW-FQEVSTJZSA-N 2 2 401.555 0.651 20 0 HCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000670960489 1078871952 /nfs/dbraw/zinc/87/19/52/1078871952.db2.gz MHRWIRJGCBWTRW-FQEVSTJZSA-N 2 2 401.555 0.651 20 0 HCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000670960490 1078871967 /nfs/dbraw/zinc/87/19/67/1078871967.db2.gz MHRWIRJGCBWTRW-HXUWFJFHSA-N 2 2 401.555 0.651 20 0 HCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000670960490 1078871966 /nfs/dbraw/zinc/87/19/66/1078871966.db2.gz MHRWIRJGCBWTRW-HXUWFJFHSA-N 2 2 401.555 0.651 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670977120 1078881498 /nfs/dbraw/zinc/88/14/98/1078881498.db2.gz AVOWDCICICGZSW-APWZRJJASA-N 2 2 402.539 0.775 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000670977120 1078881496 /nfs/dbraw/zinc/88/14/96/1078881496.db2.gz AVOWDCICICGZSW-APWZRJJASA-N 2 2 402.539 0.775 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000670977120 1078881487 /nfs/dbraw/zinc/88/14/87/1078881487.db2.gz AVOWDCICICGZSW-APWZRJJASA-N 2 2 402.539 0.775 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000670977120 1078881483 /nfs/dbraw/zinc/88/14/83/1078881483.db2.gz AVOWDCICICGZSW-APWZRJJASA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670977121 1078881623 /nfs/dbraw/zinc/88/16/23/1078881623.db2.gz AVOWDCICICGZSW-LPHOPBHVSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000670977121 1078881621 /nfs/dbraw/zinc/88/16/21/1078881621.db2.gz AVOWDCICICGZSW-LPHOPBHVSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000670977121 1078881620 /nfs/dbraw/zinc/88/16/20/1078881620.db2.gz AVOWDCICICGZSW-LPHOPBHVSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000670977121 1078881616 /nfs/dbraw/zinc/88/16/16/1078881616.db2.gz AVOWDCICICGZSW-LPHOPBHVSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000670977122 1078881667 /nfs/dbraw/zinc/88/16/67/1078881667.db2.gz AVOWDCICICGZSW-QFBILLFUSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000670977122 1078881666 /nfs/dbraw/zinc/88/16/66/1078881666.db2.gz AVOWDCICICGZSW-QFBILLFUSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000670977122 1078881665 /nfs/dbraw/zinc/88/16/65/1078881665.db2.gz AVOWDCICICGZSW-QFBILLFUSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000670977122 1078881662 /nfs/dbraw/zinc/88/16/62/1078881662.db2.gz AVOWDCICICGZSW-QFBILLFUSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000670977123 1078881572 /nfs/dbraw/zinc/88/15/72/1078881572.db2.gz AVOWDCICICGZSW-VQIMIIECSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000670977123 1078881570 /nfs/dbraw/zinc/88/15/70/1078881570.db2.gz AVOWDCICICGZSW-VQIMIIECSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000670977123 1078881568 /nfs/dbraw/zinc/88/15/68/1078881568.db2.gz AVOWDCICICGZSW-VQIMIIECSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000670977123 1078881563 /nfs/dbraw/zinc/88/15/63/1078881563.db2.gz AVOWDCICICGZSW-VQIMIIECSA-N 2 2 402.539 0.775 20 0 HCADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)C2)CC1 ZINC000670977396 1078881265 /nfs/dbraw/zinc/88/12/65/1078881265.db2.gz WXRFIZURJNZTNE-FQEVSTJZSA-N 2 2 413.566 0.446 20 0 HCADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)C2)CC1 ZINC000670977396 1078881264 /nfs/dbraw/zinc/88/12/64/1078881264.db2.gz WXRFIZURJNZTNE-FQEVSTJZSA-N 2 2 413.566 0.446 20 0 HCADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)C2)CC1 ZINC000670977397 1078881101 /nfs/dbraw/zinc/88/11/01/1078881101.db2.gz WXRFIZURJNZTNE-HXUWFJFHSA-N 2 2 413.566 0.446 20 0 HCADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)C2)CC1 ZINC000670977397 1078881097 /nfs/dbraw/zinc/88/10/97/1078881097.db2.gz WXRFIZURJNZTNE-HXUWFJFHSA-N 2 2 413.566 0.446 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000670979901 1078882242 /nfs/dbraw/zinc/88/22/42/1078882242.db2.gz UHCYXDRNVYHFQF-AHRSYUTCSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000670979901 1078882239 /nfs/dbraw/zinc/88/22/39/1078882239.db2.gz UHCYXDRNVYHFQF-AHRSYUTCSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000670979901 1078882233 /nfs/dbraw/zinc/88/22/33/1078882233.db2.gz UHCYXDRNVYHFQF-AHRSYUTCSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000670979901 1078882231 /nfs/dbraw/zinc/88/22/31/1078882231.db2.gz UHCYXDRNVYHFQF-AHRSYUTCSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000670979902 1078882292 /nfs/dbraw/zinc/88/22/92/1078882292.db2.gz UHCYXDRNVYHFQF-DBVUQKKJSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000670979902 1078882286 /nfs/dbraw/zinc/88/22/86/1078882286.db2.gz UHCYXDRNVYHFQF-DBVUQKKJSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000670979902 1078882285 /nfs/dbraw/zinc/88/22/85/1078882285.db2.gz UHCYXDRNVYHFQF-DBVUQKKJSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000670979902 1078882283 /nfs/dbraw/zinc/88/22/83/1078882283.db2.gz UHCYXDRNVYHFQF-DBVUQKKJSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000670979903 1078882441 /nfs/dbraw/zinc/88/24/41/1078882441.db2.gz UHCYXDRNVYHFQF-NSISKUIASA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000670979903 1078882439 /nfs/dbraw/zinc/88/24/39/1078882439.db2.gz UHCYXDRNVYHFQF-NSISKUIASA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000670979903 1078882437 /nfs/dbraw/zinc/88/24/37/1078882437.db2.gz UHCYXDRNVYHFQF-NSISKUIASA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000670979903 1078882432 /nfs/dbraw/zinc/88/24/32/1078882432.db2.gz UHCYXDRNVYHFQF-NSISKUIASA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000670979904 1078882420 /nfs/dbraw/zinc/88/24/20/1078882420.db2.gz UHCYXDRNVYHFQF-PWIZWCRZSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000670979904 1078882416 /nfs/dbraw/zinc/88/24/16/1078882416.db2.gz UHCYXDRNVYHFQF-PWIZWCRZSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000670979904 1078882414 /nfs/dbraw/zinc/88/24/14/1078882414.db2.gz UHCYXDRNVYHFQF-PWIZWCRZSA-N 2 2 402.539 0.775 20 0 HCADLP CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000670979904 1078882412 /nfs/dbraw/zinc/88/24/12/1078882412.db2.gz UHCYXDRNVYHFQF-PWIZWCRZSA-N 2 2 402.539 0.775 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980469 1078883950 /nfs/dbraw/zinc/88/39/50/1078883950.db2.gz ZQRYKXISWHUDRV-MSOLQXFVSA-N 2 2 401.555 0.912 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980469 1078883947 /nfs/dbraw/zinc/88/39/47/1078883947.db2.gz ZQRYKXISWHUDRV-MSOLQXFVSA-N 2 2 401.555 0.912 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980470 1078883977 /nfs/dbraw/zinc/88/39/77/1078883977.db2.gz ZQRYKXISWHUDRV-QZTJIDSGSA-N 2 2 401.555 0.912 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980470 1078883975 /nfs/dbraw/zinc/88/39/75/1078883975.db2.gz ZQRYKXISWHUDRV-QZTJIDSGSA-N 2 2 401.555 0.912 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980471 1078883836 /nfs/dbraw/zinc/88/38/36/1078883836.db2.gz ZQRYKXISWHUDRV-ROUUACIJSA-N 2 2 401.555 0.912 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980471 1078883834 /nfs/dbraw/zinc/88/38/34/1078883834.db2.gz ZQRYKXISWHUDRV-ROUUACIJSA-N 2 2 401.555 0.912 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980472 1078883800 /nfs/dbraw/zinc/88/38/00/1078883800.db2.gz ZQRYKXISWHUDRV-ZWKOTPCHSA-N 2 2 401.555 0.912 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N(C)c1ccccc1 ZINC000670980472 1078883796 /nfs/dbraw/zinc/88/37/96/1078883796.db2.gz ZQRYKXISWHUDRV-ZWKOTPCHSA-N 2 2 401.555 0.912 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000670980771 1078883426 /nfs/dbraw/zinc/88/34/26/1078883426.db2.gz SCGLNVPESPFHSF-MOPGFXCFSA-N 2 2 406.502 0.868 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000670980772 1078883846 /nfs/dbraw/zinc/88/38/46/1078883846.db2.gz SCGLNVPESPFHSF-OALUTQOASA-N 2 2 406.502 0.868 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000670980773 1078883983 /nfs/dbraw/zinc/88/39/83/1078883983.db2.gz SCGLNVPESPFHSF-RBUKOAKNSA-N 2 2 406.502 0.868 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000670980774 1078883900 /nfs/dbraw/zinc/88/39/00/1078883900.db2.gz SCGLNVPESPFHSF-RTBURBONSA-N 2 2 406.502 0.868 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000670981737 1078883115 /nfs/dbraw/zinc/88/31/15/1078883115.db2.gz NXBHNZKGPJRUKY-AEFFLSMTSA-N 2 2 407.584 0.752 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000670981738 1078883023 /nfs/dbraw/zinc/88/30/23/1078883023.db2.gz NXBHNZKGPJRUKY-FUHWJXTLSA-N 2 2 407.584 0.752 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000670981739 1078883099 /nfs/dbraw/zinc/88/30/99/1078883099.db2.gz NXBHNZKGPJRUKY-SJLPKXTDSA-N 2 2 407.584 0.752 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000670981740 1078883137 /nfs/dbraw/zinc/88/31/37/1078883137.db2.gz NXBHNZKGPJRUKY-WMZOPIPTSA-N 2 2 407.584 0.752 20 0 HCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000670982740 1078884543 /nfs/dbraw/zinc/88/45/43/1078884543.db2.gz GZAVZVDYXQPCIS-UHFFFAOYSA-N 2 2 404.559 0.715 20 0 HCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000670982740 1078884532 /nfs/dbraw/zinc/88/45/32/1078884532.db2.gz GZAVZVDYXQPCIS-UHFFFAOYSA-N 2 2 404.559 0.715 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000670983767 1078885552 /nfs/dbraw/zinc/88/55/52/1078885552.db2.gz QUFFDCKFPUURIG-IBGZPJMESA-N 2 2 416.570 0.556 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000670983768 1078885602 /nfs/dbraw/zinc/88/56/02/1078885602.db2.gz QUFFDCKFPUURIG-LJQANCHMSA-N 2 2 416.570 0.556 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCN3CCc4ccccc43)C2)CC1 ZINC000670988977 1078888591 /nfs/dbraw/zinc/88/85/91/1078888591.db2.gz HUTOEJHDJIQZPI-IBGZPJMESA-N 2 2 413.566 0.840 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCN3CCc4ccccc43)C2)CC1 ZINC000670988977 1078888589 /nfs/dbraw/zinc/88/85/89/1078888589.db2.gz HUTOEJHDJIQZPI-IBGZPJMESA-N 2 2 413.566 0.840 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3CCc4ccccc43)C2)CC1 ZINC000670988978 1078888693 /nfs/dbraw/zinc/88/86/93/1078888693.db2.gz HUTOEJHDJIQZPI-LJQANCHMSA-N 2 2 413.566 0.840 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3CCc4ccccc43)C2)CC1 ZINC000670988978 1078888692 /nfs/dbraw/zinc/88/86/92/1078888692.db2.gz HUTOEJHDJIQZPI-LJQANCHMSA-N 2 2 413.566 0.840 20 0 HCADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989652 1078889583 /nfs/dbraw/zinc/88/95/83/1078889583.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989652 1078889580 /nfs/dbraw/zinc/88/95/80/1078889580.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989652 1078889579 /nfs/dbraw/zinc/88/95/79/1078889579.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989652 1078889576 /nfs/dbraw/zinc/88/95/76/1078889576.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989653 1078889537 /nfs/dbraw/zinc/88/95/37/1078889537.db2.gz VQIXPUAPZOOINM-GUDVDZBRSA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989653 1078889536 /nfs/dbraw/zinc/88/95/36/1078889536.db2.gz VQIXPUAPZOOINM-GUDVDZBRSA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989654 1078889497 /nfs/dbraw/zinc/88/94/97/1078889497.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989654 1078889495 /nfs/dbraw/zinc/88/94/95/1078889495.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989654 1078889494 /nfs/dbraw/zinc/88/94/94/1078889494.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989654 1078889492 /nfs/dbraw/zinc/88/94/92/1078889492.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989655 1078889605 /nfs/dbraw/zinc/88/96/05/1078889605.db2.gz VQIXPUAPZOOINM-QRVBRYPASA-N 3 2 407.603 0.755 20 0 HCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670989655 1078889601 /nfs/dbraw/zinc/88/96/01/1078889601.db2.gz VQIXPUAPZOOINM-QRVBRYPASA-N 3 2 407.603 0.755 20 0 HCADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670990583 1078890203 /nfs/dbraw/zinc/89/02/03/1078890203.db2.gz CRKKEOFOTDXDGH-NRFANRHFSA-N 2 2 414.550 0.874 20 0 HCADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670990583 1078890202 /nfs/dbraw/zinc/89/02/02/1078890202.db2.gz CRKKEOFOTDXDGH-NRFANRHFSA-N 2 2 414.550 0.874 20 0 HCADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670990584 1078890168 /nfs/dbraw/zinc/89/01/68/1078890168.db2.gz CRKKEOFOTDXDGH-OAQYLSRUSA-N 2 2 414.550 0.874 20 0 HCADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670990584 1078890160 /nfs/dbraw/zinc/89/01/60/1078890160.db2.gz CRKKEOFOTDXDGH-OAQYLSRUSA-N 2 2 414.550 0.874 20 0 HCADLP CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671000000 1078900600 /nfs/dbraw/zinc/90/06/00/1078900600.db2.gz ONFBQBAGGZHAHU-GOSISDBHSA-N 2 2 415.538 0.046 20 0 HCADLP CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671000000 1078900597 /nfs/dbraw/zinc/90/05/97/1078900597.db2.gz ONFBQBAGGZHAHU-GOSISDBHSA-N 2 2 415.538 0.046 20 0 HCADLP CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671000001 1078900511 /nfs/dbraw/zinc/90/05/11/1078900511.db2.gz ONFBQBAGGZHAHU-SFHVURJKSA-N 2 2 415.538 0.046 20 0 HCADLP CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671000001 1078900506 /nfs/dbraw/zinc/90/05/06/1078900506.db2.gz ONFBQBAGGZHAHU-SFHVURJKSA-N 2 2 415.538 0.046 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671015367 1078925851 /nfs/dbraw/zinc/92/58/51/1078925851.db2.gz HKPYLUPIHSEVBJ-GOSISDBHSA-N 2 2 401.511 0.029 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671015367 1078925844 /nfs/dbraw/zinc/92/58/44/1078925844.db2.gz HKPYLUPIHSEVBJ-GOSISDBHSA-N 2 2 401.511 0.029 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671015368 1078926075 /nfs/dbraw/zinc/92/60/75/1078926075.db2.gz HKPYLUPIHSEVBJ-SFHVURJKSA-N 2 2 401.511 0.029 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671015368 1078926069 /nfs/dbraw/zinc/92/60/69/1078926069.db2.gz HKPYLUPIHSEVBJ-SFHVURJKSA-N 2 2 401.511 0.029 20 0 HCADLP CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671015796 1078926679 /nfs/dbraw/zinc/92/66/79/1078926679.db2.gz OGPYTUUKCARNRK-GOSISDBHSA-N 2 2 415.538 0.289 20 0 HCADLP CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671015796 1078926676 /nfs/dbraw/zinc/92/66/76/1078926676.db2.gz OGPYTUUKCARNRK-GOSISDBHSA-N 2 2 415.538 0.289 20 0 HCADLP CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671015797 1078926574 /nfs/dbraw/zinc/92/65/74/1078926574.db2.gz OGPYTUUKCARNRK-SFHVURJKSA-N 2 2 415.538 0.289 20 0 HCADLP CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671015797 1078926565 /nfs/dbraw/zinc/92/65/65/1078926565.db2.gz OGPYTUUKCARNRK-SFHVURJKSA-N 2 2 415.538 0.289 20 0 HCADLP CNC(=O)c1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671016166 1078927583 /nfs/dbraw/zinc/92/75/83/1078927583.db2.gz HWPSFTMAAGEHJF-IBGZPJMESA-N 2 2 415.538 0.289 20 0 HCADLP CNC(=O)c1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671016166 1078927578 /nfs/dbraw/zinc/92/75/78/1078927578.db2.gz HWPSFTMAAGEHJF-IBGZPJMESA-N 2 2 415.538 0.289 20 0 HCADLP CNC(=O)c1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671016167 1078927863 /nfs/dbraw/zinc/92/78/63/1078927863.db2.gz HWPSFTMAAGEHJF-LJQANCHMSA-N 2 2 415.538 0.289 20 0 HCADLP CNC(=O)c1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671016167 1078927854 /nfs/dbraw/zinc/92/78/54/1078927854.db2.gz HWPSFTMAAGEHJF-LJQANCHMSA-N 2 2 415.538 0.289 20 0 HCADLP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000671018888 1078929758 /nfs/dbraw/zinc/92/97/58/1078929758.db2.gz FKIPHOJNSZUUAV-PMACEKPBSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000671018888 1078929752 /nfs/dbraw/zinc/92/97/52/1078929752.db2.gz FKIPHOJNSZUUAV-PMACEKPBSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018888 1078929746 /nfs/dbraw/zinc/92/97/46/1078929746.db2.gz FKIPHOJNSZUUAV-PMACEKPBSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018888 1078929737 /nfs/dbraw/zinc/92/97/37/1078929737.db2.gz FKIPHOJNSZUUAV-PMACEKPBSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018888 1078929731 /nfs/dbraw/zinc/92/97/31/1078929731.db2.gz FKIPHOJNSZUUAV-PMACEKPBSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018888 1078929719 /nfs/dbraw/zinc/92/97/19/1078929719.db2.gz FKIPHOJNSZUUAV-PMACEKPBSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018888 1078929706 /nfs/dbraw/zinc/92/97/06/1078929706.db2.gz FKIPHOJNSZUUAV-PMACEKPBSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018888 1078929695 /nfs/dbraw/zinc/92/96/95/1078929695.db2.gz FKIPHOJNSZUUAV-PMACEKPBSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000671018889 1078929959 /nfs/dbraw/zinc/92/99/59/1078929959.db2.gz FKIPHOJNSZUUAV-UXHICEINSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000671018889 1078929954 /nfs/dbraw/zinc/92/99/54/1078929954.db2.gz FKIPHOJNSZUUAV-UXHICEINSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018889 1078929946 /nfs/dbraw/zinc/92/99/46/1078929946.db2.gz FKIPHOJNSZUUAV-UXHICEINSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018889 1078929939 /nfs/dbraw/zinc/92/99/39/1078929939.db2.gz FKIPHOJNSZUUAV-UXHICEINSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018889 1078929932 /nfs/dbraw/zinc/92/99/32/1078929932.db2.gz FKIPHOJNSZUUAV-UXHICEINSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018889 1078929924 /nfs/dbraw/zinc/92/99/24/1078929924.db2.gz FKIPHOJNSZUUAV-UXHICEINSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018889 1078929920 /nfs/dbraw/zinc/92/99/20/1078929920.db2.gz FKIPHOJNSZUUAV-UXHICEINSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000671018889 1078929908 /nfs/dbraw/zinc/92/99/08/1078929908.db2.gz FKIPHOJNSZUUAV-UXHICEINSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000671018890 1078930058 /nfs/dbraw/zinc/93/00/58/1078930058.db2.gz FKIPHOJNSZUUAV-VQTJNVASSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCC[C@H](NC(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000671018890 1078930050 /nfs/dbraw/zinc/93/00/50/1078930050.db2.gz FKIPHOJNSZUUAV-VQTJNVASSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018890 1078930042 /nfs/dbraw/zinc/93/00/42/1078930042.db2.gz FKIPHOJNSZUUAV-VQTJNVASSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018890 1078930032 /nfs/dbraw/zinc/93/00/32/1078930032.db2.gz FKIPHOJNSZUUAV-VQTJNVASSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018890 1078930022 /nfs/dbraw/zinc/93/00/22/1078930022.db2.gz FKIPHOJNSZUUAV-VQTJNVASSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018890 1078930011 /nfs/dbraw/zinc/93/00/11/1078930011.db2.gz FKIPHOJNSZUUAV-VQTJNVASSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018890 1078930002 /nfs/dbraw/zinc/93/00/02/1078930002.db2.gz FKIPHOJNSZUUAV-VQTJNVASSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018890 1078929995 /nfs/dbraw/zinc/92/99/95/1078929995.db2.gz FKIPHOJNSZUUAV-VQTJNVASSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000671018891 1078929687 /nfs/dbraw/zinc/92/96/87/1078929687.db2.gz FKIPHOJNSZUUAV-WOJBJXKFSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000671018891 1078929679 /nfs/dbraw/zinc/92/96/79/1078929679.db2.gz FKIPHOJNSZUUAV-WOJBJXKFSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018891 1078929671 /nfs/dbraw/zinc/92/96/71/1078929671.db2.gz FKIPHOJNSZUUAV-WOJBJXKFSA-N 2 2 401.555 0.692 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018891 1078929665 /nfs/dbraw/zinc/92/96/65/1078929665.db2.gz FKIPHOJNSZUUAV-WOJBJXKFSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018891 1078929652 /nfs/dbraw/zinc/92/96/52/1078929652.db2.gz FKIPHOJNSZUUAV-WOJBJXKFSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018891 1078929645 /nfs/dbraw/zinc/92/96/45/1078929645.db2.gz FKIPHOJNSZUUAV-WOJBJXKFSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018891 1078929638 /nfs/dbraw/zinc/92/96/38/1078929638.db2.gz FKIPHOJNSZUUAV-WOJBJXKFSA-N 2 2 401.555 0.692 20 0 HCADLP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H](c2ccccc2)C1 ZINC000671018891 1078929627 /nfs/dbraw/zinc/92/96/27/1078929627.db2.gz FKIPHOJNSZUUAV-WOJBJXKFSA-N 2 2 401.555 0.692 20 0 HCADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671019428 1078935599 /nfs/dbraw/zinc/93/55/99/1078935599.db2.gz UFUXIINLEZFVBT-AZUAARDMSA-N 2 2 417.554 0.150 20 0 HCADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671019428 1078935590 /nfs/dbraw/zinc/93/55/90/1078935590.db2.gz UFUXIINLEZFVBT-AZUAARDMSA-N 2 2 417.554 0.150 20 0 HCADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671019429 1078935495 /nfs/dbraw/zinc/93/54/95/1078935495.db2.gz UFUXIINLEZFVBT-ICSRJNTNSA-N 2 2 417.554 0.150 20 0 HCADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671019429 1078935490 /nfs/dbraw/zinc/93/54/90/1078935490.db2.gz UFUXIINLEZFVBT-ICSRJNTNSA-N 2 2 417.554 0.150 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671019430 1078935471 /nfs/dbraw/zinc/93/54/71/1078935471.db2.gz UFUXIINLEZFVBT-QUCCMNQESA-N 2 2 417.554 0.150 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671019430 1078935466 /nfs/dbraw/zinc/93/54/66/1078935466.db2.gz UFUXIINLEZFVBT-QUCCMNQESA-N 2 2 417.554 0.150 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671019431 1078935641 /nfs/dbraw/zinc/93/56/41/1078935641.db2.gz UFUXIINLEZFVBT-UYAOXDASSA-N 2 2 417.554 0.150 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671019431 1078935627 /nfs/dbraw/zinc/93/56/27/1078935627.db2.gz UFUXIINLEZFVBT-UYAOXDASSA-N 2 2 417.554 0.150 20 0 HCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000671019456 1078932281 /nfs/dbraw/zinc/93/22/81/1078932281.db2.gz AKKWJUQCMNZTJK-UHFFFAOYSA-N 2 2 415.582 0.865 20 0 HCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000671019456 1078932270 /nfs/dbraw/zinc/93/22/70/1078932270.db2.gz AKKWJUQCMNZTJK-UHFFFAOYSA-N 2 2 415.582 0.865 20 0 HCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000671019456 1078932263 /nfs/dbraw/zinc/93/22/63/1078932263.db2.gz AKKWJUQCMNZTJK-UHFFFAOYSA-N 2 2 415.582 0.865 20 0 HCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000671019456 1078932256 /nfs/dbraw/zinc/93/22/56/1078932256.db2.gz AKKWJUQCMNZTJK-UHFFFAOYSA-N 2 2 415.582 0.865 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000671019786 1078934704 /nfs/dbraw/zinc/93/47/04/1078934704.db2.gz WVVLBLQLOKRWMR-FQEVSTJZSA-N 2 2 401.555 0.521 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000671019786 1078934697 /nfs/dbraw/zinc/93/46/97/1078934697.db2.gz WVVLBLQLOKRWMR-FQEVSTJZSA-N 2 2 401.555 0.521 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671019786 1078934688 /nfs/dbraw/zinc/93/46/88/1078934688.db2.gz WVVLBLQLOKRWMR-FQEVSTJZSA-N 2 2 401.555 0.521 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671019786 1078934671 /nfs/dbraw/zinc/93/46/71/1078934671.db2.gz WVVLBLQLOKRWMR-FQEVSTJZSA-N 2 2 401.555 0.521 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000671019787 1078934885 /nfs/dbraw/zinc/93/48/85/1078934885.db2.gz WVVLBLQLOKRWMR-HXUWFJFHSA-N 2 2 401.555 0.521 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000671019787 1078934877 /nfs/dbraw/zinc/93/48/77/1078934877.db2.gz WVVLBLQLOKRWMR-HXUWFJFHSA-N 2 2 401.555 0.521 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671019787 1078934869 /nfs/dbraw/zinc/93/48/69/1078934869.db2.gz WVVLBLQLOKRWMR-HXUWFJFHSA-N 2 2 401.555 0.521 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671019787 1078934859 /nfs/dbraw/zinc/93/48/59/1078934859.db2.gz WVVLBLQLOKRWMR-HXUWFJFHSA-N 2 2 401.555 0.521 20 0 HCADLP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671031496 1078964571 /nfs/dbraw/zinc/96/45/71/1078964571.db2.gz LHKYSXWMKYXOIT-IBGZPJMESA-N 3 2 407.603 0.899 20 0 HCADLP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671031496 1078964567 /nfs/dbraw/zinc/96/45/67/1078964567.db2.gz LHKYSXWMKYXOIT-IBGZPJMESA-N 3 2 407.603 0.899 20 0 HCADLP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671031497 1078964206 /nfs/dbraw/zinc/96/42/06/1078964206.db2.gz LHKYSXWMKYXOIT-LJQANCHMSA-N 3 2 407.603 0.899 20 0 HCADLP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671031497 1078964188 /nfs/dbraw/zinc/96/41/88/1078964188.db2.gz LHKYSXWMKYXOIT-LJQANCHMSA-N 3 2 407.603 0.899 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000671032095 1078967550 /nfs/dbraw/zinc/96/75/50/1078967550.db2.gz QGEVYAJYZLGGGN-UHFFFAOYSA-N 2 2 403.527 0.835 20 0 HCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)CC1 ZINC000671032165 1078967507 /nfs/dbraw/zinc/96/75/07/1078967507.db2.gz PBMZMKYPYZECJS-UHFFFAOYSA-N 2 2 423.602 0.232 20 0 HCADLP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)CC1 ZINC000671032165 1078967496 /nfs/dbraw/zinc/96/74/96/1078967496.db2.gz PBMZMKYPYZECJS-UHFFFAOYSA-N 2 2 423.602 0.232 20 0 HCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000671032283 1078966677 /nfs/dbraw/zinc/96/66/77/1078966677.db2.gz BVEOUAGGQUYHMV-IBGZPJMESA-N 2 2 402.539 0.948 20 0 HCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000671032283 1078966673 /nfs/dbraw/zinc/96/66/73/1078966673.db2.gz BVEOUAGGQUYHMV-IBGZPJMESA-N 2 2 402.539 0.948 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)c(N2CCCC2)[nH+]1 ZINC000671033255 1078970456 /nfs/dbraw/zinc/97/04/56/1078970456.db2.gz BPJMDGXGHAVSQT-UHFFFAOYSA-N 2 2 416.570 0.750 20 0 HCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033721 1078968453 /nfs/dbraw/zinc/96/84/53/1078968453.db2.gz KASSQSHEHRTQGS-FQEVSTJZSA-N 2 2 415.582 0.863 20 0 HCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033721 1078968442 /nfs/dbraw/zinc/96/84/42/1078968442.db2.gz KASSQSHEHRTQGS-FQEVSTJZSA-N 2 2 415.582 0.863 20 0 HCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000671033738 1078963435 /nfs/dbraw/zinc/96/34/35/1078963435.db2.gz PABIGDNDABLLSF-IBGZPJMESA-N 2 2 407.534 0.688 20 0 HCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000671033739 1078963741 /nfs/dbraw/zinc/96/37/41/1078963741.db2.gz PABIGDNDABLLSF-LJQANCHMSA-N 2 2 407.534 0.688 20 0 HCADLP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)ccc1F ZINC000671033755 1078963357 /nfs/dbraw/zinc/96/33/57/1078963357.db2.gz TUKCLRXHJSNSEM-UHFFFAOYSA-N 2 2 407.534 0.647 20 0 HCADLP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034185 1078969396 /nfs/dbraw/zinc/96/93/96/1078969396.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034185 1078969386 /nfs/dbraw/zinc/96/93/86/1078969386.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034185 1078969379 /nfs/dbraw/zinc/96/93/79/1078969379.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034185 1078969369 /nfs/dbraw/zinc/96/93/69/1078969369.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034187 1078969223 /nfs/dbraw/zinc/96/92/23/1078969223.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 3 2 407.603 0.899 20 0 HCADLP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034187 1078969206 /nfs/dbraw/zinc/96/92/06/1078969206.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 3 2 407.603 0.899 20 0 HCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034187 1078969184 /nfs/dbraw/zinc/96/91/84/1078969184.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 3 2 407.603 0.899 20 0 HCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034187 1078969173 /nfs/dbraw/zinc/96/91/73/1078969173.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 3 2 407.603 0.899 20 0 HCADLP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034189 1078969060 /nfs/dbraw/zinc/96/90/60/1078969060.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034189 1078969053 /nfs/dbraw/zinc/96/90/53/1078969053.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034189 1078969048 /nfs/dbraw/zinc/96/90/48/1078969048.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034189 1078969043 /nfs/dbraw/zinc/96/90/43/1078969043.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034191 1078969546 /nfs/dbraw/zinc/96/95/46/1078969546.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034191 1078969538 /nfs/dbraw/zinc/96/95/38/1078969538.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034191 1078969530 /nfs/dbraw/zinc/96/95/30/1078969530.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 3 2 407.603 0.899 20 0 HCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671034191 1078969523 /nfs/dbraw/zinc/96/95/23/1078969523.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 3 2 407.603 0.899 20 0 HCADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000671034679 1078968376 /nfs/dbraw/zinc/96/83/76/1078968376.db2.gz IVHJFPLGVHTIJA-FQEVSTJZSA-N 2 2 423.602 0.091 20 0 HCADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000671034679 1078968361 /nfs/dbraw/zinc/96/83/61/1078968361.db2.gz IVHJFPLGVHTIJA-FQEVSTJZSA-N 2 2 423.602 0.091 20 0 HCADLP COc1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000671037125 1078973851 /nfs/dbraw/zinc/97/38/51/1078973851.db2.gz HSOSXKMTIWGHFF-KRWDZBQOSA-N 2 2 418.538 0.647 20 0 HCADLP COc1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000671037125 1078973845 /nfs/dbraw/zinc/97/38/45/1078973845.db2.gz HSOSXKMTIWGHFF-KRWDZBQOSA-N 2 2 418.538 0.647 20 0 HCADLP COc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000671037127 1078973692 /nfs/dbraw/zinc/97/36/92/1078973692.db2.gz HSOSXKMTIWGHFF-QGZVFWFLSA-N 2 2 418.538 0.647 20 0 HCADLP COc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000671037127 1078973676 /nfs/dbraw/zinc/97/36/76/1078973676.db2.gz HSOSXKMTIWGHFF-QGZVFWFLSA-N 2 2 418.538 0.647 20 0 HCADLP COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671039811 1078975719 /nfs/dbraw/zinc/97/57/19/1078975719.db2.gz NHGOMXXKHDFYMO-KRWDZBQOSA-N 2 2 419.526 0.008 20 0 HCADLP COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671039811 1078975710 /nfs/dbraw/zinc/97/57/10/1078975710.db2.gz NHGOMXXKHDFYMO-KRWDZBQOSA-N 2 2 419.526 0.008 20 0 HCADLP COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671039812 1078975817 /nfs/dbraw/zinc/97/58/17/1078975817.db2.gz NHGOMXXKHDFYMO-QGZVFWFLSA-N 2 2 419.526 0.008 20 0 HCADLP COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671039812 1078975812 /nfs/dbraw/zinc/97/58/12/1078975812.db2.gz NHGOMXXKHDFYMO-QGZVFWFLSA-N 2 2 419.526 0.008 20 0 HCADLP COCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671040361 1078978068 /nfs/dbraw/zinc/97/80/68/1078978068.db2.gz WAEZQQBLAQHBOX-KRWDZBQOSA-N 2 2 419.526 0.008 20 0 HCADLP COCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671040361 1078978057 /nfs/dbraw/zinc/97/80/57/1078978057.db2.gz WAEZQQBLAQHBOX-KRWDZBQOSA-N 2 2 419.526 0.008 20 0 HCADLP COCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671040362 1078978502 /nfs/dbraw/zinc/97/85/02/1078978502.db2.gz WAEZQQBLAQHBOX-QGZVFWFLSA-N 2 2 419.526 0.008 20 0 HCADLP COCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671040362 1078978492 /nfs/dbraw/zinc/97/84/92/1078978492.db2.gz WAEZQQBLAQHBOX-QGZVFWFLSA-N 2 2 419.526 0.008 20 0 HCADLP CC(C)Oc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671041100 1078980910 /nfs/dbraw/zinc/98/09/10/1078980910.db2.gz MRQNWHLYYVVSJN-KRWDZBQOSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671041100 1078980895 /nfs/dbraw/zinc/98/08/95/1078980895.db2.gz MRQNWHLYYVVSJN-KRWDZBQOSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671041102 1078980772 /nfs/dbraw/zinc/98/07/72/1078980772.db2.gz MRQNWHLYYVVSJN-QGZVFWFLSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671041102 1078980764 /nfs/dbraw/zinc/98/07/64/1078980764.db2.gz MRQNWHLYYVVSJN-QGZVFWFLSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671041749 1078980857 /nfs/dbraw/zinc/98/08/57/1078980857.db2.gz FZAHKOBVTFGMLV-KRWDZBQOSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671041749 1078980843 /nfs/dbraw/zinc/98/08/43/1078980843.db2.gz FZAHKOBVTFGMLV-KRWDZBQOSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671041751 1078980634 /nfs/dbraw/zinc/98/06/34/1078980634.db2.gz FZAHKOBVTFGMLV-QGZVFWFLSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671041751 1078980618 /nfs/dbraw/zinc/98/06/18/1078980618.db2.gz FZAHKOBVTFGMLV-QGZVFWFLSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1ncccc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000671042989 1078981457 /nfs/dbraw/zinc/98/14/57/1078981457.db2.gz JOFJZNUAPSHMJD-UHFFFAOYSA-N 2 2 405.543 0.969 20 0 HCADLP CC(C)Oc1ncccc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000671042989 1078981450 /nfs/dbraw/zinc/98/14/50/1078981450.db2.gz JOFJZNUAPSHMJD-UHFFFAOYSA-N 2 2 405.543 0.969 20 0 HCADLP COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671050148 1078995460 /nfs/dbraw/zinc/99/54/60/1078995460.db2.gz KNWKAYWCLDXEDM-GOSISDBHSA-N 2 2 418.538 0.613 20 0 HCADLP COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671050148 1078995451 /nfs/dbraw/zinc/99/54/51/1078995451.db2.gz KNWKAYWCLDXEDM-GOSISDBHSA-N 2 2 418.538 0.613 20 0 HCADLP COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671050149 1078995633 /nfs/dbraw/zinc/99/56/33/1078995633.db2.gz KNWKAYWCLDXEDM-SFHVURJKSA-N 2 2 418.538 0.613 20 0 HCADLP COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671050149 1078995624 /nfs/dbraw/zinc/99/56/24/1078995624.db2.gz KNWKAYWCLDXEDM-SFHVURJKSA-N 2 2 418.538 0.613 20 0 HCADLP COCCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671050893 1078992431 /nfs/dbraw/zinc/99/24/31/1078992431.db2.gz JWNDCYKQOLOGBY-GOSISDBHSA-N 2 2 418.538 0.613 20 0 HCADLP COCCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671050893 1078992424 /nfs/dbraw/zinc/99/24/24/1078992424.db2.gz JWNDCYKQOLOGBY-GOSISDBHSA-N 2 2 418.538 0.613 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058335 1079001789 /nfs/dbraw/zinc/00/17/89/1079001789.db2.gz MCJTWXVJKNPTEW-IBGZPJMESA-N 2 2 401.555 0.915 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058337 1079002000 /nfs/dbraw/zinc/00/20/00/1079002000.db2.gz MCJTWXVJKNPTEW-LJQANCHMSA-N 2 2 401.555 0.915 20 0 HCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058543 1079001340 /nfs/dbraw/zinc/00/13/40/1079001340.db2.gz BWXOGHWURALCMP-IBGZPJMESA-N 2 2 401.555 0.914 20 0 HCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058545 1079001204 /nfs/dbraw/zinc/00/12/04/1079001204.db2.gz BWXOGHWURALCMP-LJQANCHMSA-N 2 2 401.555 0.914 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671058557 1079001694 /nfs/dbraw/zinc/00/16/94/1079001694.db2.gz CRAJFUYIWHGEMT-UHFFFAOYSA-N 2 2 422.533 0.669 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000671058828 1079000521 /nfs/dbraw/zinc/00/05/21/1079000521.db2.gz DNSKVSZQPDHZDO-GOSISDBHSA-N 2 2 401.555 0.771 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000671058829 1079000809 /nfs/dbraw/zinc/00/08/09/1079000809.db2.gz DNSKVSZQPDHZDO-SFHVURJKSA-N 2 2 401.555 0.771 20 0 HCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000671058906 1079001231 /nfs/dbraw/zinc/00/12/31/1079001231.db2.gz UWAVACHSFGFWJX-UHFFFAOYSA-N 2 2 401.555 0.773 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671059028 1079003822 /nfs/dbraw/zinc/00/38/22/1079003822.db2.gz SDILIOQNZVPIOM-IBGZPJMESA-N 2 2 417.529 0.664 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671059028 1079003816 /nfs/dbraw/zinc/00/38/16/1079003816.db2.gz SDILIOQNZVPIOM-IBGZPJMESA-N 2 2 417.529 0.664 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671059029 1079004149 /nfs/dbraw/zinc/00/41/49/1079004149.db2.gz SDILIOQNZVPIOM-LJQANCHMSA-N 2 2 417.529 0.664 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671059029 1079004141 /nfs/dbraw/zinc/00/41/41/1079004141.db2.gz SDILIOQNZVPIOM-LJQANCHMSA-N 2 2 417.529 0.664 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671059042 1079003715 /nfs/dbraw/zinc/00/37/15/1079003715.db2.gz ZBZDDFLTHAAGLJ-AZUAARDMSA-N 2 2 417.529 0.807 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671059042 1079003708 /nfs/dbraw/zinc/00/37/08/1079003708.db2.gz ZBZDDFLTHAAGLJ-AZUAARDMSA-N 2 2 417.529 0.807 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671059043 1079004050 /nfs/dbraw/zinc/00/40/50/1079004050.db2.gz ZBZDDFLTHAAGLJ-ICSRJNTNSA-N 2 2 417.529 0.807 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671059043 1079004046 /nfs/dbraw/zinc/00/40/46/1079004046.db2.gz ZBZDDFLTHAAGLJ-ICSRJNTNSA-N 2 2 417.529 0.807 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671059044 1079004077 /nfs/dbraw/zinc/00/40/77/1079004077.db2.gz ZBZDDFLTHAAGLJ-QUCCMNQESA-N 2 2 417.529 0.807 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671059044 1079004072 /nfs/dbraw/zinc/00/40/72/1079004072.db2.gz ZBZDDFLTHAAGLJ-QUCCMNQESA-N 2 2 417.529 0.807 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671059045 1079003688 /nfs/dbraw/zinc/00/36/88/1079003688.db2.gz ZBZDDFLTHAAGLJ-UYAOXDASSA-N 2 2 417.529 0.807 20 0 HCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671059045 1079003680 /nfs/dbraw/zinc/00/36/80/1079003680.db2.gz ZBZDDFLTHAAGLJ-UYAOXDASSA-N 2 2 417.529 0.807 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000671059073 1079002867 /nfs/dbraw/zinc/00/28/67/1079002867.db2.gz FGOUCPIUPFZCSB-KRWDZBQOSA-N 2 2 419.545 0.910 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000671059074 1079002800 /nfs/dbraw/zinc/00/28/00/1079002800.db2.gz FGOUCPIUPFZCSB-QGZVFWFLSA-N 2 2 419.545 0.910 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000671060392 1079004115 /nfs/dbraw/zinc/00/41/15/1079004115.db2.gz ILAAKADVMLEYJJ-KRWDZBQOSA-N 2 2 423.945 0.386 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000671060394 1079003952 /nfs/dbraw/zinc/00/39/52/1079003952.db2.gz ILAAKADVMLEYJJ-QGZVFWFLSA-N 2 2 423.945 0.386 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000671060494 1079004604 /nfs/dbraw/zinc/00/46/04/1079004604.db2.gz BBQHHGUSHXUIEW-KRWDZBQOSA-N 2 2 415.538 0.046 20 0 HCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000671060494 1079004596 /nfs/dbraw/zinc/00/45/96/1079004596.db2.gz BBQHHGUSHXUIEW-KRWDZBQOSA-N 2 2 415.538 0.046 20 0 HCADLP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671071347 1079019696 /nfs/dbraw/zinc/01/96/96/1079019696.db2.gz YJLQTSGEPNCZDL-FXAWDEMLSA-N 3 2 411.616 0.167 20 0 HCADLP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671071347 1079019686 /nfs/dbraw/zinc/01/96/86/1079019686.db2.gz YJLQTSGEPNCZDL-FXAWDEMLSA-N 3 2 411.616 0.167 20 0 HCADLP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671071348 1079019919 /nfs/dbraw/zinc/01/99/19/1079019919.db2.gz YJLQTSGEPNCZDL-PXNSSMCTSA-N 3 2 411.616 0.167 20 0 HCADLP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671071348 1079019913 /nfs/dbraw/zinc/01/99/13/1079019913.db2.gz YJLQTSGEPNCZDL-PXNSSMCTSA-N 3 2 411.616 0.167 20 0 HCADLP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671071349 1079019799 /nfs/dbraw/zinc/01/97/99/1079019799.db2.gz YJLQTSGEPNCZDL-XLIONFOSSA-N 3 2 411.616 0.167 20 0 HCADLP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671071349 1079019791 /nfs/dbraw/zinc/01/97/91/1079019791.db2.gz YJLQTSGEPNCZDL-XLIONFOSSA-N 3 2 411.616 0.167 20 0 HCADLP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671071350 1079019836 /nfs/dbraw/zinc/01/98/36/1079019836.db2.gz YJLQTSGEPNCZDL-YLJYHZDGSA-N 3 2 411.616 0.167 20 0 HCADLP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671071350 1079019831 /nfs/dbraw/zinc/01/98/31/1079019831.db2.gz YJLQTSGEPNCZDL-YLJYHZDGSA-N 3 2 411.616 0.167 20 0 HCADLP CN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671073418 1079022471 /nfs/dbraw/zinc/02/24/71/1079022471.db2.gz RKLGYIQQPDZCJL-IBGZPJMESA-N 2 2 400.523 0.865 20 0 HCADLP CN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671073418 1079022461 /nfs/dbraw/zinc/02/24/61/1079022461.db2.gz RKLGYIQQPDZCJL-IBGZPJMESA-N 2 2 400.523 0.865 20 0 HCADLP CN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671073419 1079023061 /nfs/dbraw/zinc/02/30/61/1079023061.db2.gz RKLGYIQQPDZCJL-LJQANCHMSA-N 2 2 400.523 0.865 20 0 HCADLP CN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671073419 1079023052 /nfs/dbraw/zinc/02/30/52/1079023052.db2.gz RKLGYIQQPDZCJL-LJQANCHMSA-N 2 2 400.523 0.865 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074396 1079023384 /nfs/dbraw/zinc/02/33/84/1079023384.db2.gz ASGSRJPLYZMRMU-GOSISDBHSA-N 2 2 410.522 0.773 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074396 1079023373 /nfs/dbraw/zinc/02/33/73/1079023373.db2.gz ASGSRJPLYZMRMU-GOSISDBHSA-N 2 2 410.522 0.773 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074397 1079023621 /nfs/dbraw/zinc/02/36/21/1079023621.db2.gz ASGSRJPLYZMRMU-SFHVURJKSA-N 2 2 410.522 0.773 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074397 1079023612 /nfs/dbraw/zinc/02/36/12/1079023612.db2.gz ASGSRJPLYZMRMU-SFHVURJKSA-N 2 2 410.522 0.773 20 0 HCADLP COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671075341 1079025012 /nfs/dbraw/zinc/02/50/12/1079025012.db2.gz CLYTVBBPPIRZKC-DLBZAZTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671075341 1079025004 /nfs/dbraw/zinc/02/50/04/1079025004.db2.gz CLYTVBBPPIRZKC-DLBZAZTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671075344 1079024754 /nfs/dbraw/zinc/02/47/54/1079024754.db2.gz CLYTVBBPPIRZKC-IAGOWNOFSA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671075344 1079024743 /nfs/dbraw/zinc/02/47/43/1079024743.db2.gz CLYTVBBPPIRZKC-IAGOWNOFSA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671075346 1079025033 /nfs/dbraw/zinc/02/50/33/1079025033.db2.gz CLYTVBBPPIRZKC-IRXDYDNUSA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671075346 1079025028 /nfs/dbraw/zinc/02/50/28/1079025028.db2.gz CLYTVBBPPIRZKC-IRXDYDNUSA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671075348 1079024933 /nfs/dbraw/zinc/02/49/33/1079024933.db2.gz CLYTVBBPPIRZKC-SJORKVTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671075348 1079024928 /nfs/dbraw/zinc/02/49/28/1079024928.db2.gz CLYTVBBPPIRZKC-SJORKVTESA-N 2 2 418.538 0.863 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(Cn4cccn4)cc3)C2)CC1 ZINC000671088134 1079035253 /nfs/dbraw/zinc/03/52/53/1079035253.db2.gz ILQACNBITUMYQJ-FQEVSTJZSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(Cn4cccn4)cc3)C2)CC1 ZINC000671088134 1079035245 /nfs/dbraw/zinc/03/52/45/1079035245.db2.gz ILQACNBITUMYQJ-FQEVSTJZSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(Cn4cccn4)cc3)C2)CC1 ZINC000671088135 1079035535 /nfs/dbraw/zinc/03/55/35/1079035535.db2.gz ILQACNBITUMYQJ-HXUWFJFHSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(Cn4cccn4)cc3)C2)CC1 ZINC000671088135 1079035524 /nfs/dbraw/zinc/03/55/24/1079035524.db2.gz ILQACNBITUMYQJ-HXUWFJFHSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCc3nc4ccccc4[nH]3)C2)CC1 ZINC000671088726 1079034313 /nfs/dbraw/zinc/03/43/13/1079034313.db2.gz OVBIWYIHHIYVMF-INIZCTEOSA-N 2 2 412.538 0.896 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCc3nc4ccccc4[nH]3)C2)CC1 ZINC000671088726 1079034310 /nfs/dbraw/zinc/03/43/10/1079034310.db2.gz OVBIWYIHHIYVMF-INIZCTEOSA-N 2 2 412.538 0.896 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCc3nc4ccccc4[nH]3)C2)CC1 ZINC000671088727 1079034509 /nfs/dbraw/zinc/03/45/09/1079034509.db2.gz OVBIWYIHHIYVMF-MRXNPFEDSA-N 2 2 412.538 0.896 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCc3nc4ccccc4[nH]3)C2)CC1 ZINC000671088727 1079034501 /nfs/dbraw/zinc/03/45/01/1079034501.db2.gz OVBIWYIHHIYVMF-MRXNPFEDSA-N 2 2 412.538 0.896 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671090808 1079035721 /nfs/dbraw/zinc/03/57/21/1079035721.db2.gz ZDPGAHUALPUSOI-NRFANRHFSA-N 3 2 415.582 0.991 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671090808 1079035710 /nfs/dbraw/zinc/03/57/10/1079035710.db2.gz ZDPGAHUALPUSOI-NRFANRHFSA-N 3 2 415.582 0.991 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671090809 1079036038 /nfs/dbraw/zinc/03/60/38/1079036038.db2.gz ZDPGAHUALPUSOI-OAQYLSRUSA-N 3 2 415.582 0.991 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671090809 1079036034 /nfs/dbraw/zinc/03/60/34/1079036034.db2.gz ZDPGAHUALPUSOI-OAQYLSRUSA-N 3 2 415.582 0.991 20 0 HCADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671090810 1079035960 /nfs/dbraw/zinc/03/59/60/1079035960.db2.gz ZRALLDRUQGWLGV-IBGZPJMESA-N 3 2 401.555 0.649 20 0 HCADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671090810 1079035953 /nfs/dbraw/zinc/03/59/53/1079035953.db2.gz ZRALLDRUQGWLGV-IBGZPJMESA-N 3 2 401.555 0.649 20 0 HCADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671090811 1079035768 /nfs/dbraw/zinc/03/57/68/1079035768.db2.gz ZRALLDRUQGWLGV-LJQANCHMSA-N 3 2 401.555 0.649 20 0 HCADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671090811 1079035759 /nfs/dbraw/zinc/03/57/59/1079035759.db2.gz ZRALLDRUQGWLGV-LJQANCHMSA-N 3 2 401.555 0.649 20 0 HCADLP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671091211 1079037225 /nfs/dbraw/zinc/03/72/25/1079037225.db2.gz PGNYIBSXSHLFEA-FQEVSTJZSA-N 3 2 405.587 0.604 20 0 HCADLP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671091211 1079037219 /nfs/dbraw/zinc/03/72/19/1079037219.db2.gz PGNYIBSXSHLFEA-FQEVSTJZSA-N 3 2 405.587 0.604 20 0 HCADLP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671091212 1079037302 /nfs/dbraw/zinc/03/73/02/1079037302.db2.gz PGNYIBSXSHLFEA-HXUWFJFHSA-N 3 2 405.587 0.604 20 0 HCADLP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671091212 1079037296 /nfs/dbraw/zinc/03/72/96/1079037296.db2.gz PGNYIBSXSHLFEA-HXUWFJFHSA-N 3 2 405.587 0.604 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671103596 1079044744 /nfs/dbraw/zinc/04/47/44/1079044744.db2.gz MSAOIPQUNIKYDH-MSOLQXFVSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671103596 1079044739 /nfs/dbraw/zinc/04/47/39/1079044739.db2.gz MSAOIPQUNIKYDH-MSOLQXFVSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000671103596 1079044737 /nfs/dbraw/zinc/04/47/37/1079044737.db2.gz MSAOIPQUNIKYDH-MSOLQXFVSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000671103596 1079044733 /nfs/dbraw/zinc/04/47/33/1079044733.db2.gz MSAOIPQUNIKYDH-MSOLQXFVSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671103597 1079044645 /nfs/dbraw/zinc/04/46/45/1079044645.db2.gz MSAOIPQUNIKYDH-QZTJIDSGSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671103597 1079044636 /nfs/dbraw/zinc/04/46/36/1079044636.db2.gz MSAOIPQUNIKYDH-QZTJIDSGSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000671103597 1079044635 /nfs/dbraw/zinc/04/46/35/1079044635.db2.gz MSAOIPQUNIKYDH-QZTJIDSGSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000671103597 1079044628 /nfs/dbraw/zinc/04/46/28/1079044628.db2.gz MSAOIPQUNIKYDH-QZTJIDSGSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671103600 1079044580 /nfs/dbraw/zinc/04/45/80/1079044580.db2.gz MSAOIPQUNIKYDH-ROUUACIJSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671103600 1079044573 /nfs/dbraw/zinc/04/45/73/1079044573.db2.gz MSAOIPQUNIKYDH-ROUUACIJSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000671103600 1079044566 /nfs/dbraw/zinc/04/45/66/1079044566.db2.gz MSAOIPQUNIKYDH-ROUUACIJSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000671103600 1079044561 /nfs/dbraw/zinc/04/45/61/1079044561.db2.gz MSAOIPQUNIKYDH-ROUUACIJSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671103602 1079044812 /nfs/dbraw/zinc/04/48/12/1079044812.db2.gz MSAOIPQUNIKYDH-ZWKOTPCHSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671103602 1079044806 /nfs/dbraw/zinc/04/48/06/1079044806.db2.gz MSAOIPQUNIKYDH-ZWKOTPCHSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000671103602 1079044801 /nfs/dbraw/zinc/04/48/01/1079044801.db2.gz MSAOIPQUNIKYDH-ZWKOTPCHSA-N 2 2 407.559 0.132 20 0 HCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000671103602 1079044795 /nfs/dbraw/zinc/04/47/95/1079044795.db2.gz MSAOIPQUNIKYDH-ZWKOTPCHSA-N 2 2 407.559 0.132 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108852 1079051102 /nfs/dbraw/zinc/05/11/02/1079051102.db2.gz VQWPAJRFEFQTML-CEXWTWQISA-N 2 2 414.554 0.451 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108852 1079051096 /nfs/dbraw/zinc/05/10/96/1079051096.db2.gz VQWPAJRFEFQTML-CEXWTWQISA-N 2 2 414.554 0.451 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108857 1079051178 /nfs/dbraw/zinc/05/11/78/1079051178.db2.gz VQWPAJRFEFQTML-GUDVDZBRSA-N 2 2 414.554 0.451 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108857 1079051176 /nfs/dbraw/zinc/05/11/76/1079051176.db2.gz VQWPAJRFEFQTML-GUDVDZBRSA-N 2 2 414.554 0.451 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108859 1079051206 /nfs/dbraw/zinc/05/12/06/1079051206.db2.gz VQWPAJRFEFQTML-QRVBRYPASA-N 2 2 414.554 0.451 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108859 1079051201 /nfs/dbraw/zinc/05/12/01/1079051201.db2.gz VQWPAJRFEFQTML-QRVBRYPASA-N 2 2 414.554 0.451 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108860 1079051074 /nfs/dbraw/zinc/05/10/74/1079051074.db2.gz VQWPAJRFEFQTML-QYZOEREBSA-N 2 2 414.554 0.451 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108860 1079051071 /nfs/dbraw/zinc/05/10/71/1079051071.db2.gz VQWPAJRFEFQTML-QYZOEREBSA-N 2 2 414.554 0.451 20 0 HCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)C1 ZINC000671116456 1079055842 /nfs/dbraw/zinc/05/58/42/1079055842.db2.gz GUBJUTBJGITTOT-IBGZPJMESA-N 2 2 414.554 0.405 20 0 HCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)C1 ZINC000671116456 1079055837 /nfs/dbraw/zinc/05/58/37/1079055837.db2.gz GUBJUTBJGITTOT-IBGZPJMESA-N 2 2 414.554 0.405 20 0 HCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)C1 ZINC000671116457 1079055890 /nfs/dbraw/zinc/05/58/90/1079055890.db2.gz GUBJUTBJGITTOT-LJQANCHMSA-N 2 2 414.554 0.405 20 0 HCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)C1 ZINC000671116457 1079055887 /nfs/dbraw/zinc/05/58/87/1079055887.db2.gz GUBJUTBJGITTOT-LJQANCHMSA-N 2 2 414.554 0.405 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671121289 1079057807 /nfs/dbraw/zinc/05/78/07/1079057807.db2.gz FYOFTEUDLZJPHT-CABCVRRESA-N 2 2 419.492 0.272 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671121289 1079057802 /nfs/dbraw/zinc/05/78/02/1079057802.db2.gz FYOFTEUDLZJPHT-CABCVRRESA-N 2 2 419.492 0.272 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671121290 1079057728 /nfs/dbraw/zinc/05/77/28/1079057728.db2.gz FYOFTEUDLZJPHT-GJZGRUSLSA-N 2 2 419.492 0.272 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671121290 1079057721 /nfs/dbraw/zinc/05/77/21/1079057721.db2.gz FYOFTEUDLZJPHT-GJZGRUSLSA-N 2 2 419.492 0.272 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671121292 1079057877 /nfs/dbraw/zinc/05/78/77/1079057877.db2.gz FYOFTEUDLZJPHT-HUUCEWRRSA-N 2 2 419.492 0.272 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671121292 1079057870 /nfs/dbraw/zinc/05/78/70/1079057870.db2.gz FYOFTEUDLZJPHT-HUUCEWRRSA-N 2 2 419.492 0.272 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671121293 1079057662 /nfs/dbraw/zinc/05/76/62/1079057662.db2.gz FYOFTEUDLZJPHT-LSDHHAIUSA-N 2 2 419.492 0.272 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671121293 1079057653 /nfs/dbraw/zinc/05/76/53/1079057653.db2.gz FYOFTEUDLZJPHT-LSDHHAIUSA-N 2 2 419.492 0.272 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000671123629 1079058790 /nfs/dbraw/zinc/05/87/90/1079058790.db2.gz OYMYSBXLMOCEGA-MOPGFXCFSA-N 2 2 413.566 0.914 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000671123629 1079058782 /nfs/dbraw/zinc/05/87/82/1079058782.db2.gz OYMYSBXLMOCEGA-MOPGFXCFSA-N 2 2 413.566 0.914 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000671123630 1079058749 /nfs/dbraw/zinc/05/87/49/1079058749.db2.gz OYMYSBXLMOCEGA-OALUTQOASA-N 2 2 413.566 0.914 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000671123630 1079058742 /nfs/dbraw/zinc/05/87/42/1079058742.db2.gz OYMYSBXLMOCEGA-OALUTQOASA-N 2 2 413.566 0.914 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000671123657 1079058708 /nfs/dbraw/zinc/05/87/08/1079058708.db2.gz OYMYSBXLMOCEGA-RBUKOAKNSA-N 2 2 413.566 0.914 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000671123657 1079058706 /nfs/dbraw/zinc/05/87/06/1079058706.db2.gz OYMYSBXLMOCEGA-RBUKOAKNSA-N 2 2 413.566 0.914 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000671123658 1079058904 /nfs/dbraw/zinc/05/89/04/1079058904.db2.gz OYMYSBXLMOCEGA-RTBURBONSA-N 2 2 413.566 0.914 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000671123658 1079058897 /nfs/dbraw/zinc/05/88/97/1079058897.db2.gz OYMYSBXLMOCEGA-RTBURBONSA-N 2 2 413.566 0.914 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000671124613 1079060256 /nfs/dbraw/zinc/06/02/56/1079060256.db2.gz PCTGENJHHRKSSP-FQEVSTJZSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000671124613 1079060250 /nfs/dbraw/zinc/06/02/50/1079060250.db2.gz PCTGENJHHRKSSP-FQEVSTJZSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000671124615 1079060132 /nfs/dbraw/zinc/06/01/32/1079060132.db2.gz PCTGENJHHRKSSP-HXUWFJFHSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000671124615 1079060130 /nfs/dbraw/zinc/06/01/30/1079060130.db2.gz PCTGENJHHRKSSP-HXUWFJFHSA-N 2 2 424.549 0.832 20 0 HCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000671126310 1079061315 /nfs/dbraw/zinc/06/13/15/1079061315.db2.gz YFPKYZXUDTZWPN-GOSISDBHSA-N 2 2 402.543 0.117 20 0 HCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000671126310 1079061308 /nfs/dbraw/zinc/06/13/08/1079061308.db2.gz YFPKYZXUDTZWPN-GOSISDBHSA-N 2 2 402.543 0.117 20 0 HCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000671126311 1079061130 /nfs/dbraw/zinc/06/11/30/1079061130.db2.gz YFPKYZXUDTZWPN-SFHVURJKSA-N 2 2 402.543 0.117 20 0 HCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000671126311 1079061124 /nfs/dbraw/zinc/06/11/24/1079061124.db2.gz YFPKYZXUDTZWPN-SFHVURJKSA-N 2 2 402.543 0.117 20 0 HCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000671126655 1079061103 /nfs/dbraw/zinc/06/11/03/1079061103.db2.gz ZLPIWEHYVYJUEZ-UHFFFAOYSA-N 2 2 405.543 0.884 20 0 HCADLP CN(CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134098 1079067057 /nfs/dbraw/zinc/06/70/57/1079067057.db2.gz BISJMGCNRUMELZ-AWEZNQCLSA-N 2 2 407.481 0.272 20 0 HCADLP CN(CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134098 1079067055 /nfs/dbraw/zinc/06/70/55/1079067055.db2.gz BISJMGCNRUMELZ-AWEZNQCLSA-N 2 2 407.481 0.272 20 0 HCADLP CN(CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134099 1079067015 /nfs/dbraw/zinc/06/70/15/1079067015.db2.gz BISJMGCNRUMELZ-CQSZACIVSA-N 2 2 407.481 0.272 20 0 HCADLP CN(CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134099 1079067011 /nfs/dbraw/zinc/06/70/11/1079067011.db2.gz BISJMGCNRUMELZ-CQSZACIVSA-N 2 2 407.481 0.272 20 0 HCADLP CN(CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134136 1079066910 /nfs/dbraw/zinc/06/69/10/1079066910.db2.gz KWKCSQAIFIZNFF-INIZCTEOSA-N 2 2 421.508 0.614 20 0 HCADLP CN(CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134136 1079066903 /nfs/dbraw/zinc/06/69/03/1079066903.db2.gz KWKCSQAIFIZNFF-INIZCTEOSA-N 2 2 421.508 0.614 20 0 HCADLP CN(CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134137 1079067028 /nfs/dbraw/zinc/06/70/28/1079067028.db2.gz KWKCSQAIFIZNFF-MRXNPFEDSA-N 2 2 421.508 0.614 20 0 HCADLP CN(CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000671134137 1079067025 /nfs/dbraw/zinc/06/70/25/1079067025.db2.gz KWKCSQAIFIZNFF-MRXNPFEDSA-N 2 2 421.508 0.614 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671139185 1079071599 /nfs/dbraw/zinc/07/15/99/1079071599.db2.gz YGJXQPRFZOFAMK-NRFANRHFSA-N 2 2 415.582 0.911 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671139185 1079071595 /nfs/dbraw/zinc/07/15/95/1079071595.db2.gz YGJXQPRFZOFAMK-NRFANRHFSA-N 2 2 415.582 0.911 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671139186 1079071571 /nfs/dbraw/zinc/07/15/71/1079071571.db2.gz YGJXQPRFZOFAMK-OAQYLSRUSA-N 2 2 415.582 0.911 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671139186 1079071568 /nfs/dbraw/zinc/07/15/68/1079071568.db2.gz YGJXQPRFZOFAMK-OAQYLSRUSA-N 2 2 415.582 0.911 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCCc2c1cnn2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671144756 1079076620 /nfs/dbraw/zinc/07/66/20/1079076620.db2.gz DEGBSRGCMJQEFR-AEFFLSMTSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCCc2c1cnn2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671144756 1079076615 /nfs/dbraw/zinc/07/66/15/1079076615.db2.gz DEGBSRGCMJQEFR-AEFFLSMTSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671144759 1079076404 /nfs/dbraw/zinc/07/64/04/1079076404.db2.gz DEGBSRGCMJQEFR-FUHWJXTLSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671144759 1079076396 /nfs/dbraw/zinc/07/63/96/1079076396.db2.gz DEGBSRGCMJQEFR-FUHWJXTLSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671144760 1079076573 /nfs/dbraw/zinc/07/65/73/1079076573.db2.gz DEGBSRGCMJQEFR-SJLPKXTDSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671144760 1079076567 /nfs/dbraw/zinc/07/65/67/1079076567.db2.gz DEGBSRGCMJQEFR-SJLPKXTDSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCCc2c1cnn2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671144761 1079076457 /nfs/dbraw/zinc/07/64/57/1079076457.db2.gz DEGBSRGCMJQEFR-WMZOPIPTSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCCc2c1cnn2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671144761 1079076450 /nfs/dbraw/zinc/07/64/50/1079076450.db2.gz DEGBSRGCMJQEFR-WMZOPIPTSA-N 2 2 402.543 0.541 20 0 HCADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671149297 1079078330 /nfs/dbraw/zinc/07/83/30/1079078330.db2.gz OJSCYZVNVTUIRL-GOSISDBHSA-N 2 2 424.611 0.787 20 0 HCADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671149300 1079078758 /nfs/dbraw/zinc/07/87/58/1079078758.db2.gz OJSCYZVNVTUIRL-SFHVURJKSA-N 2 2 424.611 0.787 20 0 HCADLP Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671159133 1079084238 /nfs/dbraw/zinc/08/42/38/1079084238.db2.gz MPJZZPZVLGAANM-GOSISDBHSA-N 2 2 404.559 0.323 20 0 HCADLP Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671159133 1079084235 /nfs/dbraw/zinc/08/42/35/1079084235.db2.gz MPJZZPZVLGAANM-GOSISDBHSA-N 2 2 404.559 0.323 20 0 HCADLP Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671159134 1079084264 /nfs/dbraw/zinc/08/42/64/1079084264.db2.gz MPJZZPZVLGAANM-SFHVURJKSA-N 2 2 404.559 0.323 20 0 HCADLP Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671159134 1079084260 /nfs/dbraw/zinc/08/42/60/1079084260.db2.gz MPJZZPZVLGAANM-SFHVURJKSA-N 2 2 404.559 0.323 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671161046 1079083907 /nfs/dbraw/zinc/08/39/07/1079083907.db2.gz ISUNRLVRUUGODA-AUUYWEPGSA-N 2 2 424.492 0.881 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671161046 1079083900 /nfs/dbraw/zinc/08/39/00/1079083900.db2.gz ISUNRLVRUUGODA-AUUYWEPGSA-N 2 2 424.492 0.881 20 0 HCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671161047 1079083781 /nfs/dbraw/zinc/08/37/81/1079083781.db2.gz ISUNRLVRUUGODA-IFXJQAMLSA-N 2 2 424.492 0.881 20 0 HCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671161047 1079083773 /nfs/dbraw/zinc/08/37/73/1079083773.db2.gz ISUNRLVRUUGODA-IFXJQAMLSA-N 2 2 424.492 0.881 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671161048 1079084347 /nfs/dbraw/zinc/08/43/47/1079084347.db2.gz ISUNRLVRUUGODA-KUHUBIRLSA-N 2 2 424.492 0.881 20 0 HCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671161048 1079084344 /nfs/dbraw/zinc/08/43/44/1079084344.db2.gz ISUNRLVRUUGODA-KUHUBIRLSA-N 2 2 424.492 0.881 20 0 HCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671161049 1079084223 /nfs/dbraw/zinc/08/42/23/1079084223.db2.gz ISUNRLVRUUGODA-LIRRHRJNSA-N 2 2 424.492 0.881 20 0 HCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671161049 1079084220 /nfs/dbraw/zinc/08/42/20/1079084220.db2.gz ISUNRLVRUUGODA-LIRRHRJNSA-N 2 2 424.492 0.881 20 0 HCADLP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000671170499 1079091992 /nfs/dbraw/zinc/09/19/92/1079091992.db2.gz CYZDPNZQKCFASH-GOSISDBHSA-N 2 2 402.539 0.983 20 0 HCADLP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000671170500 1079091935 /nfs/dbraw/zinc/09/19/35/1079091935.db2.gz CYZDPNZQKCFASH-SFHVURJKSA-N 2 2 402.539 0.983 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(N2CCCC2)[nH+]1 ZINC000671171808 1079090114 /nfs/dbraw/zinc/09/01/14/1079090114.db2.gz LYIXVZADQWNHTM-KRWDZBQOSA-N 2 2 416.570 0.606 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(N2CCCC2)[nH+]1 ZINC000671171809 1079090021 /nfs/dbraw/zinc/09/00/21/1079090021.db2.gz LYIXVZADQWNHTM-QGZVFWFLSA-N 2 2 416.570 0.606 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000671172211 1079094007 /nfs/dbraw/zinc/09/40/07/1079094007.db2.gz KOKULKJUNIDVET-PMACEKPBSA-N 2 2 415.582 0.719 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000671172211 1079094002 /nfs/dbraw/zinc/09/40/02/1079094002.db2.gz KOKULKJUNIDVET-PMACEKPBSA-N 2 2 415.582 0.719 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000671172212 1079092704 /nfs/dbraw/zinc/09/27/04/1079092704.db2.gz KOKULKJUNIDVET-UXHICEINSA-N 2 2 415.582 0.719 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000671172212 1079092697 /nfs/dbraw/zinc/09/26/97/1079092697.db2.gz KOKULKJUNIDVET-UXHICEINSA-N 2 2 415.582 0.719 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCCC[C@H]2CCO)CC1 ZINC000671246744 1079140866 /nfs/dbraw/zinc/14/08/66/1079140866.db2.gz PAPJOXKNOSUROD-INIZCTEOSA-N 2 2 401.515 0.639 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)CC1 ZINC000671246744 1079140861 /nfs/dbraw/zinc/14/08/61/1079140861.db2.gz PAPJOXKNOSUROD-INIZCTEOSA-N 2 2 401.515 0.639 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000671246745 1079140797 /nfs/dbraw/zinc/14/07/97/1079140797.db2.gz PAPJOXKNOSUROD-MRXNPFEDSA-N 2 2 401.515 0.639 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000671246745 1079140788 /nfs/dbraw/zinc/14/07/88/1079140788.db2.gz PAPJOXKNOSUROD-MRXNPFEDSA-N 2 2 401.515 0.639 20 0 HCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000671251913 1079140930 /nfs/dbraw/zinc/14/09/30/1079140930.db2.gz ACPIJFVCBLBWMK-UHFFFAOYSA-N 2 2 413.526 0.905 20 0 HCADLP Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2c1=O ZINC000671265042 1079150078 /nfs/dbraw/zinc/15/00/78/1079150078.db2.gz HMPUAAVGVNGEHK-KRWDZBQOSA-N 2 2 411.506 0.762 20 0 HCADLP Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2c1=O ZINC000671265042 1079150074 /nfs/dbraw/zinc/15/00/74/1079150074.db2.gz HMPUAAVGVNGEHK-KRWDZBQOSA-N 2 2 411.506 0.762 20 0 HCADLP Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2c1=O ZINC000671265043 1079150137 /nfs/dbraw/zinc/15/01/37/1079150137.db2.gz HMPUAAVGVNGEHK-QGZVFWFLSA-N 2 2 411.506 0.762 20 0 HCADLP Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2c1=O ZINC000671265043 1079150132 /nfs/dbraw/zinc/15/01/32/1079150132.db2.gz HMPUAAVGVNGEHK-QGZVFWFLSA-N 2 2 411.506 0.762 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265064 1079150037 /nfs/dbraw/zinc/15/00/37/1079150037.db2.gz NDSYTAWZONBBQS-CYBMUJFWSA-N 2 2 417.485 0.335 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265064 1079150030 /nfs/dbraw/zinc/15/00/30/1079150030.db2.gz NDSYTAWZONBBQS-CYBMUJFWSA-N 2 2 417.485 0.335 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265065 1079150181 /nfs/dbraw/zinc/15/01/81/1079150181.db2.gz NDSYTAWZONBBQS-ZDUSSCGKSA-N 2 2 417.485 0.335 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265065 1079150173 /nfs/dbraw/zinc/15/01/73/1079150173.db2.gz NDSYTAWZONBBQS-ZDUSSCGKSA-N 2 2 417.485 0.335 20 0 HCADLP CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000671265247 1079150684 /nfs/dbraw/zinc/15/06/84/1079150684.db2.gz KXNPIGWCNOLDTH-INIZCTEOSA-N 2 2 404.515 0.829 20 0 HCADLP CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000671265247 1079150680 /nfs/dbraw/zinc/15/06/80/1079150680.db2.gz KXNPIGWCNOLDTH-INIZCTEOSA-N 2 2 404.515 0.829 20 0 HCADLP CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000671265251 1079150568 /nfs/dbraw/zinc/15/05/68/1079150568.db2.gz KXNPIGWCNOLDTH-MRXNPFEDSA-N 2 2 404.515 0.829 20 0 HCADLP CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000671265251 1079150566 /nfs/dbraw/zinc/15/05/66/1079150566.db2.gz KXNPIGWCNOLDTH-MRXNPFEDSA-N 2 2 404.515 0.829 20 0 HCADLP CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671265305 1079150663 /nfs/dbraw/zinc/15/06/63/1079150663.db2.gz MLRFZLQBARJBRG-GOSISDBHSA-N 2 2 400.527 0.995 20 0 HCADLP CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671265305 1079150661 /nfs/dbraw/zinc/15/06/61/1079150661.db2.gz MLRFZLQBARJBRG-GOSISDBHSA-N 2 2 400.527 0.995 20 0 HCADLP CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671265306 1079150609 /nfs/dbraw/zinc/15/06/09/1079150609.db2.gz MLRFZLQBARJBRG-SFHVURJKSA-N 2 2 400.527 0.995 20 0 HCADLP CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671265306 1079150606 /nfs/dbraw/zinc/15/06/06/1079150606.db2.gz MLRFZLQBARJBRG-SFHVURJKSA-N 2 2 400.527 0.995 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[NH+](C)C)cc1 ZINC000671341801 1079229245 /nfs/dbraw/zinc/22/92/45/1079229245.db2.gz HTLDQPYBFCNSAV-CTNGQTDRSA-N 2 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[NH+](C)C)cc1 ZINC000671341801 1079229236 /nfs/dbraw/zinc/22/92/36/1079229236.db2.gz HTLDQPYBFCNSAV-CTNGQTDRSA-N 2 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341801 1079229226 /nfs/dbraw/zinc/22/92/26/1079229226.db2.gz HTLDQPYBFCNSAV-CTNGQTDRSA-N 3 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341801 1079229217 /nfs/dbraw/zinc/22/92/17/1079229217.db2.gz HTLDQPYBFCNSAV-CTNGQTDRSA-N 3 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[NH+](C)C)cc1 ZINC000671341806 1079229416 /nfs/dbraw/zinc/22/94/16/1079229416.db2.gz HTLDQPYBFCNSAV-FPOVZHCZSA-N 2 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[NH+](C)C)cc1 ZINC000671341806 1079229407 /nfs/dbraw/zinc/22/94/07/1079229407.db2.gz HTLDQPYBFCNSAV-FPOVZHCZSA-N 2 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341806 1079229396 /nfs/dbraw/zinc/22/93/96/1079229396.db2.gz HTLDQPYBFCNSAV-FPOVZHCZSA-N 3 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341806 1079229385 /nfs/dbraw/zinc/22/93/85/1079229385.db2.gz HTLDQPYBFCNSAV-FPOVZHCZSA-N 3 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[NH+](C)C)cc1 ZINC000671341808 1079229120 /nfs/dbraw/zinc/22/91/20/1079229120.db2.gz HTLDQPYBFCNSAV-PZJWPPBQSA-N 2 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[NH+](C)C)cc1 ZINC000671341808 1079229109 /nfs/dbraw/zinc/22/91/09/1079229109.db2.gz HTLDQPYBFCNSAV-PZJWPPBQSA-N 2 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341808 1079229099 /nfs/dbraw/zinc/22/90/99/1079229099.db2.gz HTLDQPYBFCNSAV-PZJWPPBQSA-N 3 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341808 1079229085 /nfs/dbraw/zinc/22/90/85/1079229085.db2.gz HTLDQPYBFCNSAV-PZJWPPBQSA-N 3 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[NH+](C)C)cc1 ZINC000671341810 1079229474 /nfs/dbraw/zinc/22/94/74/1079229474.db2.gz HTLDQPYBFCNSAV-TZIWHRDSSA-N 2 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[NH+](C)C)cc1 ZINC000671341810 1079229467 /nfs/dbraw/zinc/22/94/67/1079229467.db2.gz HTLDQPYBFCNSAV-TZIWHRDSSA-N 2 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341810 1079229460 /nfs/dbraw/zinc/22/94/60/1079229460.db2.gz HTLDQPYBFCNSAV-TZIWHRDSSA-N 3 2 415.582 0.999 20 0 HCADLP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341810 1079229450 /nfs/dbraw/zinc/22/94/50/1079229450.db2.gz HTLDQPYBFCNSAV-TZIWHRDSSA-N 3 2 415.582 0.999 20 0 HCADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671343495 1079233572 /nfs/dbraw/zinc/23/35/72/1079233572.db2.gz LUCZCGNAOQSJKL-PMACEKPBSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671343495 1079233563 /nfs/dbraw/zinc/23/35/63/1079233563.db2.gz LUCZCGNAOQSJKL-PMACEKPBSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671343496 1079233458 /nfs/dbraw/zinc/23/34/58/1079233458.db2.gz LUCZCGNAOQSJKL-UXHICEINSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671343496 1079233450 /nfs/dbraw/zinc/23/34/50/1079233450.db2.gz LUCZCGNAOQSJKL-UXHICEINSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671343497 1079233226 /nfs/dbraw/zinc/23/32/26/1079233226.db2.gz LUCZCGNAOQSJKL-VQTJNVASSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671343497 1079233217 /nfs/dbraw/zinc/23/32/17/1079233217.db2.gz LUCZCGNAOQSJKL-VQTJNVASSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671343498 1079234068 /nfs/dbraw/zinc/23/40/68/1079234068.db2.gz LUCZCGNAOQSJKL-WOJBJXKFSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671343498 1079234059 /nfs/dbraw/zinc/23/40/59/1079234059.db2.gz LUCZCGNAOQSJKL-WOJBJXKFSA-N 3 2 415.582 0.560 20 0 HCADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671343517 1079233993 /nfs/dbraw/zinc/23/39/93/1079233993.db2.gz PREFTQALDAMVFO-PMACEKPBSA-N 2 2 402.539 0.599 20 0 HCADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671343518 1079234112 /nfs/dbraw/zinc/23/41/12/1079234112.db2.gz PREFTQALDAMVFO-UXHICEINSA-N 2 2 402.539 0.599 20 0 HCADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671343519 1079233804 /nfs/dbraw/zinc/23/38/04/1079233804.db2.gz PREFTQALDAMVFO-VQTJNVASSA-N 2 2 402.539 0.599 20 0 HCADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671343520 1079234146 /nfs/dbraw/zinc/23/41/46/1079234146.db2.gz PREFTQALDAMVFO-WOJBJXKFSA-N 2 2 402.539 0.599 20 0 HCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671343745 1079233154 /nfs/dbraw/zinc/23/31/54/1079233154.db2.gz YEFXGHVFBKPMRK-FQEVSTJZSA-N 2 2 404.555 0.845 20 0 HCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000671343746 1079233350 /nfs/dbraw/zinc/23/33/50/1079233350.db2.gz YEFXGHVFBKPMRK-HXUWFJFHSA-N 2 2 404.555 0.845 20 0 HCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)C1 ZINC000671343937 1079231251 /nfs/dbraw/zinc/23/12/51/1079231251.db2.gz KIKBGSGBANNGGN-IBGZPJMESA-N 2 2 410.522 0.727 20 0 HCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)C1 ZINC000671343937 1079231242 /nfs/dbraw/zinc/23/12/42/1079231242.db2.gz KIKBGSGBANNGGN-IBGZPJMESA-N 2 2 410.522 0.727 20 0 HCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)C1 ZINC000671343938 1079231060 /nfs/dbraw/zinc/23/10/60/1079231060.db2.gz KIKBGSGBANNGGN-LJQANCHMSA-N 2 2 410.522 0.727 20 0 HCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)C1 ZINC000671343938 1079231046 /nfs/dbraw/zinc/23/10/46/1079231046.db2.gz KIKBGSGBANNGGN-LJQANCHMSA-N 2 2 410.522 0.727 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc2c1OCO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671351509 1080071660 /nfs/dbraw/zinc/07/16/60/1080071660.db2.gz KKNIYLRWZNXNQK-KRWDZBQOSA-N 2 2 402.495 0.658 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc2c1OCO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671351509 1080071650 /nfs/dbraw/zinc/07/16/50/1080071650.db2.gz KKNIYLRWZNXNQK-KRWDZBQOSA-N 2 2 402.495 0.658 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc2c1OCO2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671351510 1080071704 /nfs/dbraw/zinc/07/17/04/1080071704.db2.gz KKNIYLRWZNXNQK-QGZVFWFLSA-N 2 2 402.495 0.658 20 0 HCADLP CN(C(=O)C(=O)NCc1cccc2c1OCO2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671351510 1080071697 /nfs/dbraw/zinc/07/16/97/1080071697.db2.gz KKNIYLRWZNXNQK-QGZVFWFLSA-N 2 2 402.495 0.658 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352027 1080079543 /nfs/dbraw/zinc/07/95/43/1080079543.db2.gz SHQDDBKEXLVDIL-KRWDZBQOSA-N 2 2 416.522 0.749 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352027 1080079534 /nfs/dbraw/zinc/07/95/34/1080079534.db2.gz SHQDDBKEXLVDIL-KRWDZBQOSA-N 2 2 416.522 0.749 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352028 1079236930 /nfs/dbraw/zinc/23/69/30/1079236930.db2.gz SHQDDBKEXLVDIL-QGZVFWFLSA-N 2 2 416.522 0.749 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352028 1079236916 /nfs/dbraw/zinc/23/69/16/1079236916.db2.gz SHQDDBKEXLVDIL-QGZVFWFLSA-N 2 2 416.522 0.749 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359662 1079248554 /nfs/dbraw/zinc/24/85/54/1079248554.db2.gz AKCORYSUOBGLIG-KRWDZBQOSA-N 2 2 407.559 0.226 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359662 1079248537 /nfs/dbraw/zinc/24/85/37/1079248537.db2.gz AKCORYSUOBGLIG-KRWDZBQOSA-N 2 2 407.559 0.226 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359665 1080253322 /nfs/dbraw/zinc/25/33/22/1080253322.db2.gz AKCORYSUOBGLIG-QGZVFWFLSA-N 2 2 407.559 0.226 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359665 1080253310 /nfs/dbraw/zinc/25/33/10/1080253310.db2.gz AKCORYSUOBGLIG-QGZVFWFLSA-N 2 2 407.559 0.226 20 0 HCADLP C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671363913 1079253828 /nfs/dbraw/zinc/25/38/28/1079253828.db2.gz GLMRSHVGFFXUDO-DOTOQJQBSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671363913 1079253820 /nfs/dbraw/zinc/25/38/20/1079253820.db2.gz GLMRSHVGFFXUDO-DOTOQJQBSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671363914 1079253901 /nfs/dbraw/zinc/25/39/01/1079253901.db2.gz GLMRSHVGFFXUDO-NVXWUHKLSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671363914 1079253892 /nfs/dbraw/zinc/25/38/92/1079253892.db2.gz GLMRSHVGFFXUDO-NVXWUHKLSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671363915 1079254076 /nfs/dbraw/zinc/25/40/76/1079254076.db2.gz GLMRSHVGFFXUDO-RDJZCZTQSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671363915 1079254067 /nfs/dbraw/zinc/25/40/67/1079254067.db2.gz GLMRSHVGFFXUDO-RDJZCZTQSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671363916 1079253977 /nfs/dbraw/zinc/25/39/77/1079253977.db2.gz GLMRSHVGFFXUDO-WBVHZDCISA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671363916 1079253973 /nfs/dbraw/zinc/25/39/73/1079253973.db2.gz GLMRSHVGFFXUDO-WBVHZDCISA-N 2 2 406.502 0.994 20 0 HCADLP COCCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671368802 1079260211 /nfs/dbraw/zinc/26/02/11/1079260211.db2.gz FHUSXZWYSBWUNX-GOSISDBHSA-N 2 2 418.538 0.613 20 0 HCADLP COCCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671368802 1079260200 /nfs/dbraw/zinc/26/02/00/1079260200.db2.gz FHUSXZWYSBWUNX-GOSISDBHSA-N 2 2 418.538 0.613 20 0 HCADLP COCCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671368806 1079260280 /nfs/dbraw/zinc/26/02/80/1079260280.db2.gz FHUSXZWYSBWUNX-SFHVURJKSA-N 2 2 418.538 0.613 20 0 HCADLP COCCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671368806 1079260273 /nfs/dbraw/zinc/26/02/73/1079260273.db2.gz FHUSXZWYSBWUNX-SFHVURJKSA-N 2 2 418.538 0.613 20 0 HCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370255 1079261113 /nfs/dbraw/zinc/26/11/13/1079261113.db2.gz SXAOCIDSPZRFSL-FGSXEWAUSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370255 1079261103 /nfs/dbraw/zinc/26/11/03/1079261103.db2.gz SXAOCIDSPZRFSL-FGSXEWAUSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370256 1079260937 /nfs/dbraw/zinc/26/09/37/1079260937.db2.gz SXAOCIDSPZRFSL-HMFYCAOWSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370256 1079260925 /nfs/dbraw/zinc/26/09/25/1079260925.db2.gz SXAOCIDSPZRFSL-HMFYCAOWSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370257 1079260667 /nfs/dbraw/zinc/26/06/67/1079260667.db2.gz SXAOCIDSPZRFSL-JBYIUTFZSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370257 1079260655 /nfs/dbraw/zinc/26/06/55/1079260655.db2.gz SXAOCIDSPZRFSL-JBYIUTFZSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370258 1079261003 /nfs/dbraw/zinc/26/10/03/1079261003.db2.gz SXAOCIDSPZRFSL-KGVIQGDOSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370258 1079260994 /nfs/dbraw/zinc/26/09/94/1079260994.db2.gz SXAOCIDSPZRFSL-KGVIQGDOSA-N 3 2 407.603 0.898 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(Cn4cccn4)c3)C2)CC1 ZINC000671370752 1079265730 /nfs/dbraw/zinc/26/57/30/1079265730.db2.gz ITPIMSJPSQNDBC-FQEVSTJZSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(Cn4cccn4)c3)C2)CC1 ZINC000671370752 1079265721 /nfs/dbraw/zinc/26/57/21/1079265721.db2.gz ITPIMSJPSQNDBC-FQEVSTJZSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(Cn4cccn4)c3)C2)CC1 ZINC000671370756 1079265851 /nfs/dbraw/zinc/26/58/51/1079265851.db2.gz ITPIMSJPSQNDBC-HXUWFJFHSA-N 2 2 424.549 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(Cn4cccn4)c3)C2)CC1 ZINC000671370756 1079265846 /nfs/dbraw/zinc/26/58/46/1079265846.db2.gz ITPIMSJPSQNDBC-HXUWFJFHSA-N 2 2 424.549 0.832 20 0 HCADLP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671376754 1079272595 /nfs/dbraw/zinc/27/25/95/1079272595.db2.gz ASNLDPXYGZPUJF-FQEVSTJZSA-N 3 2 407.603 0.852 20 0 HCADLP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671376754 1079272586 /nfs/dbraw/zinc/27/25/86/1079272586.db2.gz ASNLDPXYGZPUJF-FQEVSTJZSA-N 3 2 407.603 0.852 20 0 HCADLP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671376755 1079272523 /nfs/dbraw/zinc/27/25/23/1079272523.db2.gz ASNLDPXYGZPUJF-HXUWFJFHSA-N 3 2 407.603 0.852 20 0 HCADLP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671376755 1079272514 /nfs/dbraw/zinc/27/25/14/1079272514.db2.gz ASNLDPXYGZPUJF-HXUWFJFHSA-N 3 2 407.603 0.852 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671384299 1079274451 /nfs/dbraw/zinc/27/44/51/1079274451.db2.gz IEHYWIKQTICIKN-FQEVSTJZSA-N 2 2 402.539 0.805 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671384299 1079274441 /nfs/dbraw/zinc/27/44/41/1079274441.db2.gz IEHYWIKQTICIKN-FQEVSTJZSA-N 2 2 402.539 0.805 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671384300 1079274487 /nfs/dbraw/zinc/27/44/87/1079274487.db2.gz IEHYWIKQTICIKN-HXUWFJFHSA-N 2 2 402.539 0.805 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671384300 1079274480 /nfs/dbraw/zinc/27/44/80/1079274480.db2.gz IEHYWIKQTICIKN-HXUWFJFHSA-N 2 2 402.539 0.805 20 0 HCADLP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390389 1079279000 /nfs/dbraw/zinc/27/90/00/1079279000.db2.gz QBCXWKCRMPZNCI-IBGZPJMESA-N 3 2 401.555 0.519 20 0 HCADLP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390389 1079278988 /nfs/dbraw/zinc/27/89/88/1079278988.db2.gz QBCXWKCRMPZNCI-IBGZPJMESA-N 3 2 401.555 0.519 20 0 HCADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390389 1079278980 /nfs/dbraw/zinc/27/89/80/1079278980.db2.gz QBCXWKCRMPZNCI-IBGZPJMESA-N 3 2 401.555 0.519 20 0 HCADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390389 1079278968 /nfs/dbraw/zinc/27/89/68/1079278968.db2.gz QBCXWKCRMPZNCI-IBGZPJMESA-N 3 2 401.555 0.519 20 0 HCADLP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390390 1079279064 /nfs/dbraw/zinc/27/90/64/1079279064.db2.gz QBCXWKCRMPZNCI-LJQANCHMSA-N 3 2 401.555 0.519 20 0 HCADLP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390390 1079279056 /nfs/dbraw/zinc/27/90/56/1079279056.db2.gz QBCXWKCRMPZNCI-LJQANCHMSA-N 3 2 401.555 0.519 20 0 HCADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390390 1079279049 /nfs/dbraw/zinc/27/90/49/1079279049.db2.gz QBCXWKCRMPZNCI-LJQANCHMSA-N 3 2 401.555 0.519 20 0 HCADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390390 1079279046 /nfs/dbraw/zinc/27/90/46/1079279046.db2.gz QBCXWKCRMPZNCI-LJQANCHMSA-N 3 2 401.555 0.519 20 0 HCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)CC2)C1 ZINC000671390753 1081364168 /nfs/dbraw/zinc/36/41/68/1081364168.db2.gz QDCAFZDBNXBKDL-GOSISDBHSA-N 2 2 419.595 0.461 20 0 HCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)CC2)C1 ZINC000671390753 1081364159 /nfs/dbraw/zinc/36/41/59/1081364159.db2.gz QDCAFZDBNXBKDL-GOSISDBHSA-N 2 2 419.595 0.461 20 0 HCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[NH+]3CCc4sccc4C3)CC2)C1 ZINC000671390753 1081364151 /nfs/dbraw/zinc/36/41/51/1081364151.db2.gz QDCAFZDBNXBKDL-GOSISDBHSA-N 2 2 419.595 0.461 20 0 HCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[NH+]3CCc4sccc4C3)CC2)C1 ZINC000671390753 1081364143 /nfs/dbraw/zinc/36/41/43/1081364143.db2.gz QDCAFZDBNXBKDL-GOSISDBHSA-N 2 2 419.595 0.461 20 0 HCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)CC2)C1 ZINC000671390754 1079278812 /nfs/dbraw/zinc/27/88/12/1079278812.db2.gz QDCAFZDBNXBKDL-SFHVURJKSA-N 2 2 419.595 0.461 20 0 HCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)CC2)C1 ZINC000671390754 1079278797 /nfs/dbraw/zinc/27/87/97/1079278797.db2.gz QDCAFZDBNXBKDL-SFHVURJKSA-N 2 2 419.595 0.461 20 0 HCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[NH+]3CCc4sccc4C3)CC2)C1 ZINC000671390754 1079278789 /nfs/dbraw/zinc/27/87/89/1079278789.db2.gz QDCAFZDBNXBKDL-SFHVURJKSA-N 2 2 419.595 0.461 20 0 HCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[NH+]3CCc4sccc4C3)CC2)C1 ZINC000671390754 1079278777 /nfs/dbraw/zinc/27/87/77/1079278777.db2.gz QDCAFZDBNXBKDL-SFHVURJKSA-N 2 2 419.595 0.461 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000671391823 1079278627 /nfs/dbraw/zinc/27/86/27/1079278627.db2.gz GHQPLWICJJLTFO-KRWDZBQOSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000671391823 1079278618 /nfs/dbraw/zinc/27/86/18/1079278618.db2.gz GHQPLWICJJLTFO-KRWDZBQOSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000671391824 1079278734 /nfs/dbraw/zinc/27/87/34/1079278734.db2.gz GHQPLWICJJLTFO-QGZVFWFLSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000671391824 1079278721 /nfs/dbraw/zinc/27/87/21/1079278721.db2.gz GHQPLWICJJLTFO-QGZVFWFLSA-N 2 2 418.538 0.647 20 0 HCADLP COc1ccc(OCCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671392768 1079279618 /nfs/dbraw/zinc/27/96/18/1079279618.db2.gz GRQGEGKSHGKDSR-KRWDZBQOSA-N 2 2 418.538 0.865 20 0 HCADLP COc1ccc(OCCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671392768 1079279611 /nfs/dbraw/zinc/27/96/11/1079279611.db2.gz GRQGEGKSHGKDSR-KRWDZBQOSA-N 2 2 418.538 0.865 20 0 HCADLP COc1ccc(OCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671392769 1079279744 /nfs/dbraw/zinc/27/97/44/1079279744.db2.gz GRQGEGKSHGKDSR-QGZVFWFLSA-N 2 2 418.538 0.865 20 0 HCADLP COc1ccc(OCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671392769 1079279736 /nfs/dbraw/zinc/27/97/36/1079279736.db2.gz GRQGEGKSHGKDSR-QGZVFWFLSA-N 2 2 418.538 0.865 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3Cc4ccccc4C3)CC2)CC1 ZINC000671394114 1079280387 /nfs/dbraw/zinc/28/03/87/1079280387.db2.gz FNKAASCTJVKVEE-UHFFFAOYSA-N 2 2 413.566 0.793 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)ccn1 ZINC000671394390 1079280421 /nfs/dbraw/zinc/28/04/21/1079280421.db2.gz HTBWSDNBKMMPLI-UHFFFAOYSA-N 2 2 411.506 0.770 20 0 HCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000671395905 1079281415 /nfs/dbraw/zinc/28/14/15/1079281415.db2.gz KASXBINWYQWOPB-UHFFFAOYSA-N 2 2 400.523 0.880 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671397045 1079284094 /nfs/dbraw/zinc/28/40/94/1079284094.db2.gz PWMNWDHTOIJHSA-UHFFFAOYSA-N 2 2 415.538 0.177 20 0 HCADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671397344 1079285321 /nfs/dbraw/zinc/28/53/21/1079285321.db2.gz KWWIIWYQXKFKPU-NRFANRHFSA-N 2 2 413.566 0.747 20 0 HCADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671397344 1079285313 /nfs/dbraw/zinc/28/53/13/1079285313.db2.gz KWWIIWYQXKFKPU-NRFANRHFSA-N 2 2 413.566 0.747 20 0 HCADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671397345 1079285563 /nfs/dbraw/zinc/28/55/63/1079285563.db2.gz KWWIIWYQXKFKPU-OAQYLSRUSA-N 2 2 413.566 0.747 20 0 HCADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671397345 1079285553 /nfs/dbraw/zinc/28/55/53/1079285553.db2.gz KWWIIWYQXKFKPU-OAQYLSRUSA-N 2 2 413.566 0.747 20 0 HCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671404215 1079287324 /nfs/dbraw/zinc/28/73/24/1079287324.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671404215 1079287320 /nfs/dbraw/zinc/28/73/20/1079287320.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671404215 1079287308 /nfs/dbraw/zinc/28/73/08/1079287308.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671404215 1079287301 /nfs/dbraw/zinc/28/73/01/1079287301.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671404216 1079287164 /nfs/dbraw/zinc/28/71/64/1079287164.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671404216 1079287157 /nfs/dbraw/zinc/28/71/57/1079287157.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671404216 1079287147 /nfs/dbraw/zinc/28/71/47/1079287147.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671404216 1079287142 /nfs/dbraw/zinc/28/71/42/1079287142.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671404217 1079287558 /nfs/dbraw/zinc/28/75/58/1079287558.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671404217 1079287555 /nfs/dbraw/zinc/28/75/55/1079287555.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671404217 1079287549 /nfs/dbraw/zinc/28/75/49/1079287549.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671404217 1079287545 /nfs/dbraw/zinc/28/75/45/1079287545.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671404218 1079287464 /nfs/dbraw/zinc/28/74/64/1079287464.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671404218 1079287457 /nfs/dbraw/zinc/28/74/57/1079287457.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671404218 1079287450 /nfs/dbraw/zinc/28/74/50/1079287450.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671404218 1079287442 /nfs/dbraw/zinc/28/74/42/1079287442.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 3 2 407.603 0.850 20 0 HCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000671405424 1079289350 /nfs/dbraw/zinc/28/93/50/1079289350.db2.gz WNEVPIZJUSJGTB-UHFFFAOYSA-N 3 2 404.490 0.579 20 0 HCADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671406401 1079289519 /nfs/dbraw/zinc/28/95/19/1079289519.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671406401 1079289512 /nfs/dbraw/zinc/28/95/12/1079289512.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671406401 1079289501 /nfs/dbraw/zinc/28/95/01/1079289501.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671406401 1079289495 /nfs/dbraw/zinc/28/94/95/1079289495.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671406403 1079289210 /nfs/dbraw/zinc/28/92/10/1079289210.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671406403 1079289208 /nfs/dbraw/zinc/28/92/08/1079289208.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671406403 1079289202 /nfs/dbraw/zinc/28/92/02/1079289202.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671406403 1079289200 /nfs/dbraw/zinc/28/92/00/1079289200.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671406404 1079289282 /nfs/dbraw/zinc/28/92/82/1079289282.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671406404 1079289277 /nfs/dbraw/zinc/28/92/77/1079289277.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671406404 1079289272 /nfs/dbraw/zinc/28/92/72/1079289272.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671406404 1079289263 /nfs/dbraw/zinc/28/92/63/1079289263.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671406410 1079289143 /nfs/dbraw/zinc/28/91/43/1079289143.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671406410 1079289136 /nfs/dbraw/zinc/28/91/36/1079289136.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671406410 1079289133 /nfs/dbraw/zinc/28/91/33/1079289133.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671406410 1079289127 /nfs/dbraw/zinc/28/91/27/1079289127.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 3 2 407.603 0.754 20 0 HCADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406954 1079290122 /nfs/dbraw/zinc/29/01/22/1079290122.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406954 1079290118 /nfs/dbraw/zinc/29/01/18/1079290118.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406954 1079290112 /nfs/dbraw/zinc/29/01/12/1079290112.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406954 1079290103 /nfs/dbraw/zinc/29/01/03/1079290103.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406955 1079290309 /nfs/dbraw/zinc/29/03/09/1079290309.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406955 1079290307 /nfs/dbraw/zinc/29/03/07/1079290307.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406955 1079290299 /nfs/dbraw/zinc/29/02/99/1079290299.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406955 1079290294 /nfs/dbraw/zinc/29/02/94/1079290294.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406956 1079290233 /nfs/dbraw/zinc/29/02/33/1079290233.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406956 1079290225 /nfs/dbraw/zinc/29/02/25/1079290225.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406956 1079290218 /nfs/dbraw/zinc/29/02/18/1079290218.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406956 1079290212 /nfs/dbraw/zinc/29/02/12/1079290212.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406957 1079289986 /nfs/dbraw/zinc/28/99/86/1079289986.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406957 1079289978 /nfs/dbraw/zinc/28/99/78/1079289978.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406957 1079289970 /nfs/dbraw/zinc/28/99/70/1079289970.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 3 2 407.603 0.898 20 0 HCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671406957 1079289958 /nfs/dbraw/zinc/28/99/58/1079289958.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 3 2 407.603 0.898 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000671721205 1079908267 /nfs/dbraw/zinc/90/82/67/1079908267.db2.gz PDILUTAZTPSDTQ-AWEZNQCLSA-N 2 2 420.539 0.126 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000671721205 1079908255 /nfs/dbraw/zinc/90/82/55/1079908255.db2.gz PDILUTAZTPSDTQ-AWEZNQCLSA-N 2 2 420.539 0.126 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000671721206 1079908393 /nfs/dbraw/zinc/90/83/93/1079908393.db2.gz PDILUTAZTPSDTQ-CQSZACIVSA-N 2 2 420.539 0.126 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000671721206 1079908372 /nfs/dbraw/zinc/90/83/72/1079908372.db2.gz PDILUTAZTPSDTQ-CQSZACIVSA-N 2 2 420.539 0.126 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000671803306 1080029002 /nfs/dbraw/zinc/02/90/02/1080029002.db2.gz QFBFNLVHEBHDKU-UHFFFAOYSA-N 2 2 402.539 0.805 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000671806494 1080030887 /nfs/dbraw/zinc/03/08/87/1080030887.db2.gz RVUZADQJBRRTQR-FUHIMQAGSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000671806494 1080030877 /nfs/dbraw/zinc/03/08/77/1080030877.db2.gz RVUZADQJBRRTQR-FUHIMQAGSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000671806494 1080030866 /nfs/dbraw/zinc/03/08/66/1080030866.db2.gz RVUZADQJBRRTQR-FUHIMQAGSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000671806494 1080030851 /nfs/dbraw/zinc/03/08/51/1080030851.db2.gz RVUZADQJBRRTQR-FUHIMQAGSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671806495 1080031308 /nfs/dbraw/zinc/03/13/08/1080031308.db2.gz RVUZADQJBRRTQR-HLIPFELVSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000671806495 1080031296 /nfs/dbraw/zinc/03/12/96/1080031296.db2.gz RVUZADQJBRRTQR-HLIPFELVSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000671806495 1080031285 /nfs/dbraw/zinc/03/12/85/1080031285.db2.gz RVUZADQJBRRTQR-HLIPFELVSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000671806495 1080031276 /nfs/dbraw/zinc/03/12/76/1080031276.db2.gz RVUZADQJBRRTQR-HLIPFELVSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000671806496 1080031463 /nfs/dbraw/zinc/03/14/63/1080031463.db2.gz RVUZADQJBRRTQR-MBOZVWFJSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000671806496 1080031454 /nfs/dbraw/zinc/03/14/54/1080031454.db2.gz RVUZADQJBRRTQR-MBOZVWFJSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000671806496 1080031443 /nfs/dbraw/zinc/03/14/43/1080031443.db2.gz RVUZADQJBRRTQR-MBOZVWFJSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1C[NH+](C)CCO1 ZINC000671806496 1080031431 /nfs/dbraw/zinc/03/14/31/1080031431.db2.gz RVUZADQJBRRTQR-MBOZVWFJSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671806497 1080031151 /nfs/dbraw/zinc/03/11/51/1080031151.db2.gz RVUZADQJBRRTQR-UWVAXJGDSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000671806497 1080031141 /nfs/dbraw/zinc/03/11/41/1080031141.db2.gz RVUZADQJBRRTQR-UWVAXJGDSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000671806497 1080031128 /nfs/dbraw/zinc/03/11/28/1080031128.db2.gz RVUZADQJBRRTQR-UWVAXJGDSA-N 2 2 418.538 0.359 20 0 HCADLP C[C@H](NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1C[NH+](C)CCO1 ZINC000671806497 1080031119 /nfs/dbraw/zinc/03/11/19/1080031119.db2.gz RVUZADQJBRRTQR-UWVAXJGDSA-N 2 2 418.538 0.359 20 0 HCADLP CCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671808811 1080033239 /nfs/dbraw/zinc/03/32/39/1080033239.db2.gz ZTUSRTQLIRAJEH-KRWDZBQOSA-N 2 2 403.527 0.771 20 0 HCADLP CCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671808811 1080033226 /nfs/dbraw/zinc/03/32/26/1080033226.db2.gz ZTUSRTQLIRAJEH-KRWDZBQOSA-N 2 2 403.527 0.771 20 0 HCADLP CCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671808812 1080033373 /nfs/dbraw/zinc/03/33/73/1080033373.db2.gz ZTUSRTQLIRAJEH-QGZVFWFLSA-N 2 2 403.527 0.771 20 0 HCADLP CCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671808812 1080033362 /nfs/dbraw/zinc/03/33/62/1080033362.db2.gz ZTUSRTQLIRAJEH-QGZVFWFLSA-N 2 2 403.527 0.771 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CCN(c4nccs4)CC3)C2)CC1 ZINC000671815252 1080036763 /nfs/dbraw/zinc/03/67/63/1080036763.db2.gz KMPAUHVXKGSRDX-INIZCTEOSA-N 2 2 420.583 0.513 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CCN(c4nccs4)CC3)C2)CC1 ZINC000671815252 1080036757 /nfs/dbraw/zinc/03/67/57/1080036757.db2.gz KMPAUHVXKGSRDX-INIZCTEOSA-N 2 2 420.583 0.513 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CCN(c4nccs4)CC3)C2)CC1 ZINC000671815253 1080036554 /nfs/dbraw/zinc/03/65/54/1080036554.db2.gz KMPAUHVXKGSRDX-MRXNPFEDSA-N 2 2 420.583 0.513 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CCN(c4nccs4)CC3)C2)CC1 ZINC000671815253 1080036549 /nfs/dbraw/zinc/03/65/49/1080036549.db2.gz KMPAUHVXKGSRDX-MRXNPFEDSA-N 2 2 420.583 0.513 20 0 HCADLP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671821194 1080040464 /nfs/dbraw/zinc/04/04/64/1080040464.db2.gz OQETWCHQEOJSIH-IBGZPJMESA-N 2 2 418.538 0.566 20 0 HCADLP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671821195 1080040263 /nfs/dbraw/zinc/04/02/63/1080040263.db2.gz OQETWCHQEOJSIH-LJQANCHMSA-N 2 2 418.538 0.566 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000671822231 1080043027 /nfs/dbraw/zinc/04/30/27/1080043027.db2.gz DIMNEOOHORNWTJ-GOSISDBHSA-N 2 2 404.511 0.224 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000671822231 1080043017 /nfs/dbraw/zinc/04/30/17/1080043017.db2.gz DIMNEOOHORNWTJ-GOSISDBHSA-N 2 2 404.511 0.224 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000671822232 1080042852 /nfs/dbraw/zinc/04/28/52/1080042852.db2.gz DIMNEOOHORNWTJ-SFHVURJKSA-N 2 2 404.511 0.224 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000671822232 1080042840 /nfs/dbraw/zinc/04/28/40/1080042840.db2.gz DIMNEOOHORNWTJ-SFHVURJKSA-N 2 2 404.511 0.224 20 0 HCADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000671822527 1080042628 /nfs/dbraw/zinc/04/26/28/1080042628.db2.gz BYANKPHSVJYTEG-GOSISDBHSA-N 2 2 404.511 0.224 20 0 HCADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000671822527 1080042622 /nfs/dbraw/zinc/04/26/22/1080042622.db2.gz BYANKPHSVJYTEG-GOSISDBHSA-N 2 2 404.511 0.224 20 0 HCADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000671822528 1080042298 /nfs/dbraw/zinc/04/22/98/1080042298.db2.gz BYANKPHSVJYTEG-SFHVURJKSA-N 2 2 404.511 0.224 20 0 HCADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000671822528 1080042287 /nfs/dbraw/zinc/04/22/87/1080042287.db2.gz BYANKPHSVJYTEG-SFHVURJKSA-N 2 2 404.511 0.224 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671850235 1080064162 /nfs/dbraw/zinc/06/41/62/1080064162.db2.gz OTYWAGVSZOLKGA-GDBMZVCRSA-N 2 2 419.492 0.366 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671850235 1080064150 /nfs/dbraw/zinc/06/41/50/1080064150.db2.gz OTYWAGVSZOLKGA-GDBMZVCRSA-N 2 2 419.492 0.366 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671850237 1080063640 /nfs/dbraw/zinc/06/36/40/1080063640.db2.gz OTYWAGVSZOLKGA-HOCLYGCPSA-N 2 2 419.492 0.366 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671850237 1080063629 /nfs/dbraw/zinc/06/36/29/1080063629.db2.gz OTYWAGVSZOLKGA-HOCLYGCPSA-N 2 2 419.492 0.366 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671850238 1080063484 /nfs/dbraw/zinc/06/34/84/1080063484.db2.gz OTYWAGVSZOLKGA-ZBFHGGJFSA-N 2 2 419.492 0.366 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671850238 1080063474 /nfs/dbraw/zinc/06/34/74/1080063474.db2.gz OTYWAGVSZOLKGA-ZBFHGGJFSA-N 2 2 419.492 0.366 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851186 1080063910 /nfs/dbraw/zinc/06/39/10/1080063910.db2.gz GGFVTFRTVAZFKN-KBPBESRZSA-N 2 2 405.465 0.024 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851186 1080063896 /nfs/dbraw/zinc/06/38/96/1080063896.db2.gz GGFVTFRTVAZFKN-KBPBESRZSA-N 2 2 405.465 0.024 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851187 1080064576 /nfs/dbraw/zinc/06/45/76/1080064576.db2.gz GGFVTFRTVAZFKN-KGLIPLIRSA-N 2 2 405.465 0.024 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851187 1080064567 /nfs/dbraw/zinc/06/45/67/1080064567.db2.gz GGFVTFRTVAZFKN-KGLIPLIRSA-N 2 2 405.465 0.024 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851188 1080064475 /nfs/dbraw/zinc/06/44/75/1080064475.db2.gz GGFVTFRTVAZFKN-UONOGXRCSA-N 2 2 405.465 0.024 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851188 1080064462 /nfs/dbraw/zinc/06/44/62/1080064462.db2.gz GGFVTFRTVAZFKN-UONOGXRCSA-N 2 2 405.465 0.024 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851189 1080064680 /nfs/dbraw/zinc/06/46/80/1080064680.db2.gz GGFVTFRTVAZFKN-ZIAGYGMSSA-N 2 2 405.465 0.024 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC000671851189 1080064672 /nfs/dbraw/zinc/06/46/72/1080064672.db2.gz GGFVTFRTVAZFKN-ZIAGYGMSSA-N 2 2 405.465 0.024 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000671869440 1080083299 /nfs/dbraw/zinc/08/32/99/1080083299.db2.gz QQQFQFPEGZKVJL-FQEVSTJZSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000671869440 1080083290 /nfs/dbraw/zinc/08/32/90/1080083290.db2.gz QQQFQFPEGZKVJL-FQEVSTJZSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000671869441 1080083787 /nfs/dbraw/zinc/08/37/87/1080083787.db2.gz QQQFQFPEGZKVJL-HXUWFJFHSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000671869441 1080083774 /nfs/dbraw/zinc/08/37/74/1080083774.db2.gz QQQFQFPEGZKVJL-HXUWFJFHSA-N 2 2 422.533 0.753 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000671869786 1080082784 /nfs/dbraw/zinc/08/27/84/1080082784.db2.gz APAIWAVMVYPDAD-GOSISDBHSA-N 2 2 411.510 0.510 20 0 HCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000671869787 1080082646 /nfs/dbraw/zinc/08/26/46/1080082646.db2.gz APAIWAVMVYPDAD-SFHVURJKSA-N 2 2 411.510 0.510 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872683 1080088326 /nfs/dbraw/zinc/08/83/26/1080088326.db2.gz PGDSJWXCXQSZBK-AZUAARDMSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872683 1080088319 /nfs/dbraw/zinc/08/83/19/1080088319.db2.gz PGDSJWXCXQSZBK-AZUAARDMSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872684 1080088291 /nfs/dbraw/zinc/08/82/91/1080088291.db2.gz PGDSJWXCXQSZBK-ICSRJNTNSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872684 1080088283 /nfs/dbraw/zinc/08/82/83/1080088283.db2.gz PGDSJWXCXQSZBK-ICSRJNTNSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872685 1080088132 /nfs/dbraw/zinc/08/81/32/1080088132.db2.gz PGDSJWXCXQSZBK-QUCCMNQESA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872685 1080088123 /nfs/dbraw/zinc/08/81/23/1080088123.db2.gz PGDSJWXCXQSZBK-QUCCMNQESA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872686 1080088051 /nfs/dbraw/zinc/08/80/51/1080088051.db2.gz PGDSJWXCXQSZBK-UYAOXDASSA-N 3 2 407.603 0.850 20 0 HCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872686 1080088041 /nfs/dbraw/zinc/08/80/41/1080088041.db2.gz PGDSJWXCXQSZBK-UYAOXDASSA-N 3 2 407.603 0.850 20 0 HCADLP CC(=O)Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671877129 1080099484 /nfs/dbraw/zinc/09/94/84/1080099484.db2.gz IRLFQCFUGUMNKO-IBGZPJMESA-N 2 2 415.538 0.588 20 0 HCADLP CC(=O)Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671877129 1080099475 /nfs/dbraw/zinc/09/94/75/1080099475.db2.gz IRLFQCFUGUMNKO-IBGZPJMESA-N 2 2 415.538 0.588 20 0 HCADLP CC(=O)Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671877130 1080099578 /nfs/dbraw/zinc/09/95/78/1080099578.db2.gz IRLFQCFUGUMNKO-LJQANCHMSA-N 2 2 415.538 0.588 20 0 HCADLP CC(=O)Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671877130 1080099565 /nfs/dbraw/zinc/09/95/65/1080099565.db2.gz IRLFQCFUGUMNKO-LJQANCHMSA-N 2 2 415.538 0.588 20 0 HCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880774 1080103389 /nfs/dbraw/zinc/10/33/89/1080103389.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880774 1080103377 /nfs/dbraw/zinc/10/33/77/1080103377.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880774 1080103363 /nfs/dbraw/zinc/10/33/63/1080103363.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880774 1080103350 /nfs/dbraw/zinc/10/33/50/1080103350.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880775 1080102924 /nfs/dbraw/zinc/10/29/24/1080102924.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880775 1080102894 /nfs/dbraw/zinc/10/28/94/1080102894.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880775 1080102878 /nfs/dbraw/zinc/10/28/78/1080102878.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880775 1080102867 /nfs/dbraw/zinc/10/28/67/1080102867.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880776 1080104181 /nfs/dbraw/zinc/10/41/81/1080104181.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880776 1080104172 /nfs/dbraw/zinc/10/41/72/1080104172.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880776 1080104165 /nfs/dbraw/zinc/10/41/65/1080104165.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880776 1080104160 /nfs/dbraw/zinc/10/41/60/1080104160.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880777 1080104543 /nfs/dbraw/zinc/10/45/43/1080104543.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880777 1080104538 /nfs/dbraw/zinc/10/45/38/1080104538.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880777 1080104529 /nfs/dbraw/zinc/10/45/29/1080104529.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000671880777 1080104515 /nfs/dbraw/zinc/10/45/15/1080104515.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 3 2 407.603 0.850 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(OCC4CC4)nc3)C2)CC1 ZINC000671884700 1080104346 /nfs/dbraw/zinc/10/43/46/1080104346.db2.gz UAFLNNQFQDAEIG-GOSISDBHSA-N 2 2 415.538 0.771 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(OCC4CC4)nc3)C2)CC1 ZINC000671884700 1080104325 /nfs/dbraw/zinc/10/43/25/1080104325.db2.gz UAFLNNQFQDAEIG-GOSISDBHSA-N 2 2 415.538 0.771 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(OCC4CC4)nc3)C2)CC1 ZINC000671884701 1080103977 /nfs/dbraw/zinc/10/39/77/1080103977.db2.gz UAFLNNQFQDAEIG-SFHVURJKSA-N 2 2 415.538 0.771 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(OCC4CC4)nc3)C2)CC1 ZINC000671884701 1080103956 /nfs/dbraw/zinc/10/39/56/1080103956.db2.gz UAFLNNQFQDAEIG-SFHVURJKSA-N 2 2 415.538 0.771 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc4c(c3)OCCCO4)C2)CC1 ZINC000671901093 1080118933 /nfs/dbraw/zinc/11/89/33/1080118933.db2.gz MSWPYTQKSQIMKI-KRWDZBQOSA-N 2 2 416.522 0.749 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc4c(c3)OCCCO4)C2)CC1 ZINC000671901093 1080118918 /nfs/dbraw/zinc/11/89/18/1080118918.db2.gz MSWPYTQKSQIMKI-KRWDZBQOSA-N 2 2 416.522 0.749 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc4c(c3)OCCCO4)C2)CC1 ZINC000671901094 1080119186 /nfs/dbraw/zinc/11/91/86/1080119186.db2.gz MSWPYTQKSQIMKI-QGZVFWFLSA-N 2 2 416.522 0.749 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc4c(c3)OCCCO4)C2)CC1 ZINC000671901094 1080119162 /nfs/dbraw/zinc/11/91/62/1080119162.db2.gz MSWPYTQKSQIMKI-QGZVFWFLSA-N 2 2 416.522 0.749 20 0 HCADLP CN(C(=O)C(=O)NC1CCN(CC(F)F)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671907022 1080131884 /nfs/dbraw/zinc/13/18/84/1080131884.db2.gz KHSCWBKQFFPGMM-KRWDZBQOSA-N 2 2 415.529 0.459 20 0 HCADLP CN(C(=O)C(=O)NC1CCN(CC(F)F)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671907022 1080131847 /nfs/dbraw/zinc/13/18/47/1080131847.db2.gz KHSCWBKQFFPGMM-KRWDZBQOSA-N 2 2 415.529 0.459 20 0 HCADLP CN(C(=O)C(=O)NC1CCN(CC(F)F)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671907024 1080132457 /nfs/dbraw/zinc/13/24/57/1080132457.db2.gz KHSCWBKQFFPGMM-QGZVFWFLSA-N 2 2 415.529 0.459 20 0 HCADLP CN(C(=O)C(=O)NC1CCN(CC(F)F)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671907024 1080132450 /nfs/dbraw/zinc/13/24/50/1080132450.db2.gz KHSCWBKQFFPGMM-QGZVFWFLSA-N 2 2 415.529 0.459 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CCN(CC(F)F)CC3)C2)CC1 ZINC000671909106 1080134585 /nfs/dbraw/zinc/13/45/85/1080134585.db2.gz HYZVNBNAFKOWPD-HNNXBMFYSA-N 2 2 401.502 0.117 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CCN(CC(F)F)CC3)C2)CC1 ZINC000671909106 1080134565 /nfs/dbraw/zinc/13/45/65/1080134565.db2.gz HYZVNBNAFKOWPD-HNNXBMFYSA-N 2 2 401.502 0.117 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CCN(CC(F)F)CC3)C2)CC1 ZINC000671909108 1080135387 /nfs/dbraw/zinc/13/53/87/1080135387.db2.gz HYZVNBNAFKOWPD-OAHLLOKOSA-N 2 2 401.502 0.117 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CCN(CC(F)F)CC3)C2)CC1 ZINC000671909108 1080135375 /nfs/dbraw/zinc/13/53/75/1080135375.db2.gz HYZVNBNAFKOWPD-OAHLLOKOSA-N 2 2 401.502 0.117 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671909560 1080134491 /nfs/dbraw/zinc/13/44/91/1080134491.db2.gz SNSXXOJERHVZFC-UHFFFAOYSA-N 2 2 403.518 0.317 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000671909560 1080134467 /nfs/dbraw/zinc/13/44/67/1080134467.db2.gz SNSXXOJERHVZFC-UHFFFAOYSA-N 2 2 403.518 0.317 20 0 HCADLP O=C(COCC(=O)NCc1c[nH+]c2n1CCCC2)NCc1c[nH+]c2n1CCCC2 ZINC000671922272 1080142021 /nfs/dbraw/zinc/14/20/21/1080142021.db2.gz NWWPKKYTDQOBNH-UHFFFAOYSA-N 2 2 400.483 0.701 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCOc3ccc(F)cc3)C2)CC1 ZINC000671926549 1080144587 /nfs/dbraw/zinc/14/45/87/1080144587.db2.gz FLPRUTUWEZLAJW-KRWDZBQOSA-N 2 2 406.502 0.996 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCOc3ccc(F)cc3)C2)CC1 ZINC000671926549 1080144551 /nfs/dbraw/zinc/14/45/51/1080144551.db2.gz FLPRUTUWEZLAJW-KRWDZBQOSA-N 2 2 406.502 0.996 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCOc3ccc(F)cc3)C2)CC1 ZINC000671926550 1080144786 /nfs/dbraw/zinc/14/47/86/1080144786.db2.gz FLPRUTUWEZLAJW-QGZVFWFLSA-N 2 2 406.502 0.996 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCOc3ccc(F)cc3)C2)CC1 ZINC000671926550 1080144770 /nfs/dbraw/zinc/14/47/70/1080144770.db2.gz FLPRUTUWEZLAJW-QGZVFWFLSA-N 2 2 406.502 0.996 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000671933024 1080153428 /nfs/dbraw/zinc/15/34/28/1080153428.db2.gz MNZSOCBEMDWOKD-GHTZIAJQSA-N 2 2 414.550 0.873 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000671933024 1080153398 /nfs/dbraw/zinc/15/33/98/1080153398.db2.gz MNZSOCBEMDWOKD-GHTZIAJQSA-N 2 2 414.550 0.873 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000671933025 1080152839 /nfs/dbraw/zinc/15/28/39/1080152839.db2.gz MNZSOCBEMDWOKD-NQIIRXRSSA-N 2 2 414.550 0.873 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000671933025 1080152815 /nfs/dbraw/zinc/15/28/15/1080152815.db2.gz MNZSOCBEMDWOKD-NQIIRXRSSA-N 2 2 414.550 0.873 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000671933026 1080152488 /nfs/dbraw/zinc/15/24/88/1080152488.db2.gz MNZSOCBEMDWOKD-RXVVDRJESA-N 2 2 414.550 0.873 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000671933026 1080152461 /nfs/dbraw/zinc/15/24/61/1080152461.db2.gz MNZSOCBEMDWOKD-RXVVDRJESA-N 2 2 414.550 0.873 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000671933027 1080153043 /nfs/dbraw/zinc/15/30/43/1080153043.db2.gz MNZSOCBEMDWOKD-WIYYLYMNSA-N 2 2 414.550 0.873 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000671933027 1080153030 /nfs/dbraw/zinc/15/30/30/1080153030.db2.gz MNZSOCBEMDWOKD-WIYYLYMNSA-N 2 2 414.550 0.873 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934079 1080155992 /nfs/dbraw/zinc/15/59/92/1080155992.db2.gz MLIFHYBORXGNGZ-HKUYNNGSSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934079 1080155973 /nfs/dbraw/zinc/15/59/73/1080155973.db2.gz MLIFHYBORXGNGZ-HKUYNNGSSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934080 1080155542 /nfs/dbraw/zinc/15/55/42/1080155542.db2.gz MLIFHYBORXGNGZ-IEBWSBKVSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934080 1080155520 /nfs/dbraw/zinc/15/55/20/1080155520.db2.gz MLIFHYBORXGNGZ-IEBWSBKVSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934081 1080156247 /nfs/dbraw/zinc/15/62/47/1080156247.db2.gz MLIFHYBORXGNGZ-MJGOQNOKSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934081 1080156225 /nfs/dbraw/zinc/15/62/25/1080156225.db2.gz MLIFHYBORXGNGZ-MJGOQNOKSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934082 1080156546 /nfs/dbraw/zinc/15/65/46/1080156546.db2.gz MLIFHYBORXGNGZ-PKOBYXMFSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CCc2ccccc21 ZINC000671934082 1080156523 /nfs/dbraw/zinc/15/65/23/1080156523.db2.gz MLIFHYBORXGNGZ-PKOBYXMFSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671937975 1080156999 /nfs/dbraw/zinc/15/69/99/1080156999.db2.gz WCQFKODFGIZBCX-HKUYNNGSSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671937975 1080156981 /nfs/dbraw/zinc/15/69/81/1080156981.db2.gz WCQFKODFGIZBCX-HKUYNNGSSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671937976 1080157335 /nfs/dbraw/zinc/15/73/35/1080157335.db2.gz WCQFKODFGIZBCX-IEBWSBKVSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671937976 1080157321 /nfs/dbraw/zinc/15/73/21/1080157321.db2.gz WCQFKODFGIZBCX-IEBWSBKVSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671937977 1080158925 /nfs/dbraw/zinc/15/89/25/1080158925.db2.gz WCQFKODFGIZBCX-MJGOQNOKSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671937977 1080158911 /nfs/dbraw/zinc/15/89/11/1080158911.db2.gz WCQFKODFGIZBCX-MJGOQNOKSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671937978 1080158155 /nfs/dbraw/zinc/15/81/55/1080158155.db2.gz WCQFKODFGIZBCX-PKOBYXMFSA-N 2 2 413.566 0.839 20 0 HCADLP C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671937978 1080158115 /nfs/dbraw/zinc/15/81/15/1080158115.db2.gz WCQFKODFGIZBCX-PKOBYXMFSA-N 2 2 413.566 0.839 20 0 HCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671941178 1080160060 /nfs/dbraw/zinc/16/00/60/1080160060.db2.gz DDEYWSOMMKURNV-FQEVSTJZSA-N 3 2 407.603 0.994 20 0 HCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671941178 1080160050 /nfs/dbraw/zinc/16/00/50/1080160050.db2.gz DDEYWSOMMKURNV-FQEVSTJZSA-N 3 2 407.603 0.994 20 0 HCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671941179 1080159708 /nfs/dbraw/zinc/15/97/08/1080159708.db2.gz DDEYWSOMMKURNV-HXUWFJFHSA-N 3 2 407.603 0.994 20 0 HCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000671941179 1080159678 /nfs/dbraw/zinc/15/96/78/1080159678.db2.gz DDEYWSOMMKURNV-HXUWFJFHSA-N 3 2 407.603 0.994 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCN3CCCc4ccccc43)C2)CC1 ZINC000671945389 1080150336 /nfs/dbraw/zinc/15/03/36/1080150336.db2.gz XFNLDKNQIMCRSS-IBGZPJMESA-N 2 2 413.566 0.840 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCN3CCCc4ccccc43)C2)CC1 ZINC000671945389 1080150313 /nfs/dbraw/zinc/15/03/13/1080150313.db2.gz XFNLDKNQIMCRSS-IBGZPJMESA-N 2 2 413.566 0.840 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CCCc4ccccc43)C2)CC1 ZINC000671945390 1080150208 /nfs/dbraw/zinc/15/02/08/1080150208.db2.gz XFNLDKNQIMCRSS-LJQANCHMSA-N 2 2 413.566 0.840 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CCCc4ccccc43)C2)CC1 ZINC000671945390 1080150180 /nfs/dbraw/zinc/15/01/80/1080150180.db2.gz XFNLDKNQIMCRSS-LJQANCHMSA-N 2 2 413.566 0.840 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCc4ccc(O)cc4C3)CC2)CC1 ZINC000671949945 1080176542 /nfs/dbraw/zinc/17/65/42/1080176542.db2.gz AHZXWFLIXQNKJP-UHFFFAOYSA-N 2 2 400.523 0.952 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC000671950328 1080178191 /nfs/dbraw/zinc/17/81/91/1080178191.db2.gz AFPGUSVNEWGMEJ-UHFFFAOYSA-N 3 2 414.554 0.405 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H](OC(F)F)C3)CC2)CC1 ZINC000671950334 1080178549 /nfs/dbraw/zinc/17/85/49/1080178549.db2.gz APFGQAJFWQTHOI-INIZCTEOSA-N 2 2 402.486 0.891 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H](OC(F)F)C3)CC2)CC1 ZINC000671950336 1080178223 /nfs/dbraw/zinc/17/82/23/1080178223.db2.gz APFGQAJFWQTHOI-MRXNPFEDSA-N 2 2 402.486 0.891 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)CC2)CC1 ZINC000671950341 1080178239 /nfs/dbraw/zinc/17/82/39/1080178239.db2.gz CBRWOHBVUSBSOM-MOPGFXCFSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)CC2)CC1 ZINC000671950343 1080178574 /nfs/dbraw/zinc/17/85/74/1080178574.db2.gz CBRWOHBVUSBSOM-OALUTQOASA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)CC2)CC1 ZINC000671950344 1080178628 /nfs/dbraw/zinc/17/86/28/1080178628.db2.gz CBRWOHBVUSBSOM-RBUKOAKNSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)CC2)CC1 ZINC000671950345 1080178282 /nfs/dbraw/zinc/17/82/82/1080178282.db2.gz CBRWOHBVUSBSOM-RTBURBONSA-N 2 2 408.543 0.068 20 0 HCADLP Cn1nccc1[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000671950346 1080178153 /nfs/dbraw/zinc/17/81/53/1080178153.db2.gz BYQVTJCALPNLRO-KRWDZBQOSA-N 2 2 416.570 0.801 20 0 HCADLP Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000671950348 1080178358 /nfs/dbraw/zinc/17/83/58/1080178358.db2.gz BYQVTJCALPNLRO-QGZVFWFLSA-N 2 2 416.570 0.801 20 0 HCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000671950352 1080178205 /nfs/dbraw/zinc/17/82/05/1080178205.db2.gz CGCFJNITJDRYPA-BBRMVZONSA-N 2 2 420.476 0.839 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000671950355 1080178174 /nfs/dbraw/zinc/17/81/74/1080178174.db2.gz CGCFJNITJDRYPA-CJNGLKHVSA-N 2 2 420.476 0.839 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C(F)(F)F)O1 ZINC000671950356 1080178314 /nfs/dbraw/zinc/17/83/14/1080178314.db2.gz CGCFJNITJDRYPA-CZUORRHYSA-N 2 2 420.476 0.839 20 0 HCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C(F)(F)F)O1 ZINC000671950361 1080178497 /nfs/dbraw/zinc/17/84/97/1080178497.db2.gz CGCFJNITJDRYPA-XJKSGUPXSA-N 2 2 420.476 0.839 20 0 HCADLP CN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCc2c1cnn2C ZINC000671950403 1080177645 /nfs/dbraw/zinc/17/76/45/1080177645.db2.gz KVXCQIWEKUQJTG-IBGZPJMESA-N 2 2 416.570 0.931 20 0 HCADLP CN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCc2c1cnn2C ZINC000671950404 1080178423 /nfs/dbraw/zinc/17/84/23/1080178423.db2.gz KVXCQIWEKUQJTG-LJQANCHMSA-N 2 2 416.570 0.931 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)CC1 ZINC000671950489 1080178535 /nfs/dbraw/zinc/17/85/35/1080178535.db2.gz JMXUSNSFNMVULE-GOSISDBHSA-N 2 2 414.554 0.451 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)CC1 ZINC000671950497 1080178382 /nfs/dbraw/zinc/17/83/82/1080178382.db2.gz JMXUSNSFNMVULE-SFHVURJKSA-N 2 2 414.554 0.451 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)CC2)CC1 ZINC000671950566 1080177165 /nfs/dbraw/zinc/17/71/65/1080177165.db2.gz OQNIWARYJDZWDH-INIZCTEOSA-N 2 2 402.543 0.791 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N(CCO)CCc3ccccc3)CC2)CC1 ZINC000671950570 1080177435 /nfs/dbraw/zinc/17/74/35/1080177435.db2.gz UCEVHRSYBNIJQP-UHFFFAOYSA-N 2 2 416.566 0.725 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)CC2)CC1 ZINC000671950571 1080177081 /nfs/dbraw/zinc/17/70/81/1080177081.db2.gz OQNIWARYJDZWDH-MRXNPFEDSA-N 2 2 402.543 0.791 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCOC[C@@H]3c3ccco3)CC2)CC1 ZINC000671950577 1080177290 /nfs/dbraw/zinc/17/72/90/1080177290.db2.gz PCAQYLAKJOKQHF-GOSISDBHSA-N 2 2 404.511 0.854 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCOC[C@H]3c3ccco3)CC2)CC1 ZINC000671950584 1080177574 /nfs/dbraw/zinc/17/75/74/1080177574.db2.gz PCAQYLAKJOKQHF-SFHVURJKSA-N 2 2 404.511 0.854 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)CC2)CC1 ZINC000671950621 1080177512 /nfs/dbraw/zinc/17/75/12/1080177512.db2.gz UTAKVBSQWIUYOJ-IBGZPJMESA-N 2 2 404.511 0.854 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)CC2)CC1 ZINC000671950622 1080177372 /nfs/dbraw/zinc/17/73/72/1080177372.db2.gz UTAKVBSQWIUYOJ-LJQANCHMSA-N 2 2 404.511 0.854 20 0 HCADLP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnn1C ZINC000671950630 1080177102 /nfs/dbraw/zinc/17/71/02/1080177102.db2.gz WPWCQLWBZFIPQI-IBGZPJMESA-N 2 2 418.586 0.951 20 0 HCADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnn1C ZINC000671950631 1080177319 /nfs/dbraw/zinc/17/73/19/1080177319.db2.gz WPWCQLWBZFIPQI-LJQANCHMSA-N 2 2 418.586 0.951 20 0 HCADLP COCCO[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000671950648 1080177614 /nfs/dbraw/zinc/17/76/14/1080177614.db2.gz YXDVNOUNJTWQMH-IBGZPJMESA-N 2 2 410.559 0.315 20 0 HCADLP COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000671950650 1080177123 /nfs/dbraw/zinc/17/71/23/1080177123.db2.gz YXDVNOUNJTWQMH-LJQANCHMSA-N 2 2 410.559 0.315 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000671950676 1080177228 /nfs/dbraw/zinc/17/72/28/1080177228.db2.gz XAAANSUYVWITAI-UHFFFAOYSA-N 2 2 417.554 0.998 20 0 HCADLP CN(C)c1nc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000671950770 1080177472 /nfs/dbraw/zinc/17/74/72/1080177472.db2.gz LAFHXVGIRUUKTJ-UHFFFAOYSA-N 2 2 408.572 0.500 20 0 HCADLP Cn1nc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000671950781 1080177145 /nfs/dbraw/zinc/17/71/45/1080177145.db2.gz PKNFNCVNEBJWSE-UHFFFAOYSA-N 2 2 412.538 0.864 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)CC1 ZINC000671950827 1080177404 /nfs/dbraw/zinc/17/74/04/1080177404.db2.gz ZZPWPYSTUBFMAO-FQEVSTJZSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)CC1 ZINC000671950828 1080177197 /nfs/dbraw/zinc/17/71/97/1080177197.db2.gz ZZPWPYSTUBFMAO-HXUWFJFHSA-N 3 2 405.587 0.748 20 0 HCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000671954284 1080161180 /nfs/dbraw/zinc/16/11/80/1080161180.db2.gz ULLRETZCKSYTAF-INIZCTEOSA-N 2 2 405.518 0.919 20 0 HCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000671954285 1080161033 /nfs/dbraw/zinc/16/10/33/1080161033.db2.gz ULLRETZCKSYTAF-MRXNPFEDSA-N 2 2 405.518 0.919 20 0 HCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000671960217 1080167377 /nfs/dbraw/zinc/16/73/77/1080167377.db2.gz RWNGSTAIBVQHES-IBGZPJMESA-N 2 2 423.602 0.088 20 0 HCADLP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000671960217 1080167363 /nfs/dbraw/zinc/16/73/63/1080167363.db2.gz RWNGSTAIBVQHES-IBGZPJMESA-N 2 2 423.602 0.088 20 0 HCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000671960218 1080167629 /nfs/dbraw/zinc/16/76/29/1080167629.db2.gz RWNGSTAIBVQHES-LJQANCHMSA-N 2 2 423.602 0.088 20 0 HCADLP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000671960218 1080167612 /nfs/dbraw/zinc/16/76/12/1080167612.db2.gz RWNGSTAIBVQHES-LJQANCHMSA-N 2 2 423.602 0.088 20 0 HCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000671960737 1080165691 /nfs/dbraw/zinc/16/56/91/1080165691.db2.gz LMGCLZUUPDGJTO-IBGZPJMESA-N 2 2 402.539 0.724 20 0 HCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000671960738 1080165586 /nfs/dbraw/zinc/16/55/86/1080165586.db2.gz LMGCLZUUPDGJTO-LJQANCHMSA-N 2 2 402.539 0.724 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000671960929 1080168048 /nfs/dbraw/zinc/16/80/48/1080168048.db2.gz BHXBQGMLGSPRDC-INIZCTEOSA-N 2 2 403.527 0.691 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000671960930 1080168111 /nfs/dbraw/zinc/16/81/11/1080168111.db2.gz BHXBQGMLGSPRDC-MRXNPFEDSA-N 2 2 403.527 0.691 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671964680 1080180355 /nfs/dbraw/zinc/18/03/55/1080180355.db2.gz MYAAWTXHGKXOPJ-GOSISDBHSA-N 2 2 417.554 0.950 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671964680 1080180337 /nfs/dbraw/zinc/18/03/37/1080180337.db2.gz MYAAWTXHGKXOPJ-GOSISDBHSA-N 2 2 417.554 0.950 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671964681 1080179815 /nfs/dbraw/zinc/17/98/15/1080179815.db2.gz MYAAWTXHGKXOPJ-SFHVURJKSA-N 2 2 417.554 0.950 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671964681 1080179800 /nfs/dbraw/zinc/17/98/00/1080179800.db2.gz MYAAWTXHGKXOPJ-SFHVURJKSA-N 2 2 417.554 0.950 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671965348 1080181231 /nfs/dbraw/zinc/18/12/31/1080181231.db2.gz FUZKCKKXARFSEL-INIZCTEOSA-N 2 2 403.527 0.608 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671965348 1080181222 /nfs/dbraw/zinc/18/12/22/1080181222.db2.gz FUZKCKKXARFSEL-INIZCTEOSA-N 2 2 403.527 0.608 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671965349 1080181959 /nfs/dbraw/zinc/18/19/59/1080181959.db2.gz FUZKCKKXARFSEL-MRXNPFEDSA-N 2 2 403.527 0.608 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671965349 1080181951 /nfs/dbraw/zinc/18/19/51/1080181951.db2.gz FUZKCKKXARFSEL-MRXNPFEDSA-N 2 2 403.527 0.608 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000671966198 1080182044 /nfs/dbraw/zinc/18/20/44/1080182044.db2.gz JXVWBFHGMUIVQQ-UHFFFAOYSA-N 2 2 405.543 0.808 20 0 HCADLP COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000671966198 1080182040 /nfs/dbraw/zinc/18/20/40/1080182040.db2.gz JXVWBFHGMUIVQQ-UHFFFAOYSA-N 2 2 405.543 0.808 20 0 HCADLP CCc1nc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000671969615 1080183656 /nfs/dbraw/zinc/18/36/56/1080183656.db2.gz XPHRRMXTGXZNHJ-KRWDZBQOSA-N 2 2 407.584 0.991 20 0 HCADLP CCc1nc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000671969615 1080183651 /nfs/dbraw/zinc/18/36/51/1080183651.db2.gz XPHRRMXTGXZNHJ-KRWDZBQOSA-N 2 2 407.584 0.991 20 0 HCADLP CCc1nc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000671969616 1080183523 /nfs/dbraw/zinc/18/35/23/1080183523.db2.gz XPHRRMXTGXZNHJ-QGZVFWFLSA-N 2 2 407.584 0.991 20 0 HCADLP CCc1nc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000671969616 1080183506 /nfs/dbraw/zinc/18/35/06/1080183506.db2.gz XPHRRMXTGXZNHJ-QGZVFWFLSA-N 2 2 407.584 0.991 20 0 HCADLP COc1ccc(COCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671975900 1080187239 /nfs/dbraw/zinc/18/72/39/1080187239.db2.gz NDJLYSUEYHLJSY-GOSISDBHSA-N 2 2 418.538 0.613 20 0 HCADLP COc1ccc(COCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671975900 1080187231 /nfs/dbraw/zinc/18/72/31/1080187231.db2.gz NDJLYSUEYHLJSY-GOSISDBHSA-N 2 2 418.538 0.613 20 0 HCADLP COc1ccc(COCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671975901 1080187399 /nfs/dbraw/zinc/18/73/99/1080187399.db2.gz NDJLYSUEYHLJSY-SFHVURJKSA-N 2 2 418.538 0.613 20 0 HCADLP COc1ccc(COCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000671975901 1080187390 /nfs/dbraw/zinc/18/73/90/1080187390.db2.gz NDJLYSUEYHLJSY-SFHVURJKSA-N 2 2 418.538 0.613 20 0 HCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671980788 1080191075 /nfs/dbraw/zinc/19/10/75/1080191075.db2.gz HZRAIYIIKLFGOU-IBGZPJMESA-N 2 2 415.538 0.034 20 0 HCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671980788 1080191063 /nfs/dbraw/zinc/19/10/63/1080191063.db2.gz HZRAIYIIKLFGOU-IBGZPJMESA-N 2 2 415.538 0.034 20 0 HCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671980789 1080191192 /nfs/dbraw/zinc/19/11/92/1080191192.db2.gz HZRAIYIIKLFGOU-LJQANCHMSA-N 2 2 415.538 0.034 20 0 HCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671980789 1080191187 /nfs/dbraw/zinc/19/11/87/1080191187.db2.gz HZRAIYIIKLFGOU-LJQANCHMSA-N 2 2 415.538 0.034 20 0 HCADLP CN(C(=O)C(=O)NCCC(=O)N1CCCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671993678 1080202831 /nfs/dbraw/zinc/20/28/31/1080202831.db2.gz JXNLAELYLUDFMQ-IBGZPJMESA-N 2 2 421.586 0.522 20 0 HCADLP CN(C(=O)C(=O)NCCC(=O)N1CCCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671993678 1080202825 /nfs/dbraw/zinc/20/28/25/1080202825.db2.gz JXNLAELYLUDFMQ-IBGZPJMESA-N 2 2 421.586 0.522 20 0 HCADLP CN(C(=O)C(=O)NCCC(=O)N1CCCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671993679 1080202878 /nfs/dbraw/zinc/20/28/78/1080202878.db2.gz JXNLAELYLUDFMQ-LJQANCHMSA-N 2 2 421.586 0.522 20 0 HCADLP CN(C(=O)C(=O)NCCC(=O)N1CCCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671993679 1080202870 /nfs/dbraw/zinc/20/28/70/1080202870.db2.gz JXNLAELYLUDFMQ-LJQANCHMSA-N 2 2 421.586 0.522 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC(=O)N3CCCCCC3)C2)CC1 ZINC000671994155 1080205380 /nfs/dbraw/zinc/20/53/80/1080205380.db2.gz AKIUYWAZAXIOGZ-KRWDZBQOSA-N 2 2 407.559 0.180 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC(=O)N3CCCCCC3)C2)CC1 ZINC000671994155 1080205358 /nfs/dbraw/zinc/20/53/58/1080205358.db2.gz AKIUYWAZAXIOGZ-KRWDZBQOSA-N 2 2 407.559 0.180 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC(=O)N3CCCCCC3)C2)CC1 ZINC000671994156 1080206086 /nfs/dbraw/zinc/20/60/86/1080206086.db2.gz AKIUYWAZAXIOGZ-QGZVFWFLSA-N 2 2 407.559 0.180 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC(=O)N3CCCCCC3)C2)CC1 ZINC000671994156 1080206075 /nfs/dbraw/zinc/20/60/75/1080206075.db2.gz AKIUYWAZAXIOGZ-QGZVFWFLSA-N 2 2 407.559 0.180 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000671999811 1080220385 /nfs/dbraw/zinc/22/03/85/1080220385.db2.gz BNNJPTWFOWWYDY-DLBZAZTESA-N 2 2 400.523 0.954 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000671999811 1080220368 /nfs/dbraw/zinc/22/03/68/1080220368.db2.gz BNNJPTWFOWWYDY-DLBZAZTESA-N 2 2 400.523 0.954 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCOc4ccccc43)C2)CC1 ZINC000671999812 1080220469 /nfs/dbraw/zinc/22/04/69/1080220469.db2.gz BNNJPTWFOWWYDY-IAGOWNOFSA-N 2 2 400.523 0.954 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCOc4ccccc43)C2)CC1 ZINC000671999812 1080220455 /nfs/dbraw/zinc/22/04/55/1080220455.db2.gz BNNJPTWFOWWYDY-IAGOWNOFSA-N 2 2 400.523 0.954 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000671999813 1080220266 /nfs/dbraw/zinc/22/02/66/1080220266.db2.gz BNNJPTWFOWWYDY-IRXDYDNUSA-N 2 2 400.523 0.954 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000671999813 1080220257 /nfs/dbraw/zinc/22/02/57/1080220257.db2.gz BNNJPTWFOWWYDY-IRXDYDNUSA-N 2 2 400.523 0.954 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCOc4ccccc43)C2)CC1 ZINC000671999814 1080220144 /nfs/dbraw/zinc/22/01/44/1080220144.db2.gz BNNJPTWFOWWYDY-SJORKVTESA-N 2 2 400.523 0.954 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCOc4ccccc43)C2)CC1 ZINC000671999814 1080220135 /nfs/dbraw/zinc/22/01/35/1080220135.db2.gz BNNJPTWFOWWYDY-SJORKVTESA-N 2 2 400.523 0.954 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672007374 1080230173 /nfs/dbraw/zinc/23/01/73/1080230173.db2.gz HVPAXYHDDHVVKV-MSOLQXFVSA-N 2 2 416.570 0.555 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672007377 1080230277 /nfs/dbraw/zinc/23/02/77/1080230277.db2.gz HVPAXYHDDHVVKV-QZTJIDSGSA-N 2 2 416.570 0.555 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672007380 1080230311 /nfs/dbraw/zinc/23/03/11/1080230311.db2.gz HVPAXYHDDHVVKV-ROUUACIJSA-N 2 2 416.570 0.555 20 0 HCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000672007382 1080230359 /nfs/dbraw/zinc/23/03/59/1080230359.db2.gz HVPAXYHDDHVVKV-ZWKOTPCHSA-N 2 2 416.570 0.555 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)[nH+]cn1 ZINC000672007692 1080229657 /nfs/dbraw/zinc/22/96/57/1080229657.db2.gz DHSXXDFHJUQTOZ-GDBMZVCRSA-N 2 2 403.531 0.450 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)nc[nH+]1 ZINC000672007692 1080229649 /nfs/dbraw/zinc/22/96/49/1080229649.db2.gz DHSXXDFHJUQTOZ-GDBMZVCRSA-N 2 2 403.531 0.450 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[nH+]cn1 ZINC000672007694 1080229823 /nfs/dbraw/zinc/22/98/23/1080229823.db2.gz DHSXXDFHJUQTOZ-GOEBONIOSA-N 2 2 403.531 0.450 20 0 HCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)nc[nH+]1 ZINC000672007694 1080229814 /nfs/dbraw/zinc/22/98/14/1080229814.db2.gz DHSXXDFHJUQTOZ-GOEBONIOSA-N 2 2 403.531 0.450 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[nH+]cn1 ZINC000672007695 1080229554 /nfs/dbraw/zinc/22/95/54/1080229554.db2.gz DHSXXDFHJUQTOZ-HOCLYGCPSA-N 2 2 403.531 0.450 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)nc[nH+]1 ZINC000672007695 1080229543 /nfs/dbraw/zinc/22/95/43/1080229543.db2.gz DHSXXDFHJUQTOZ-HOCLYGCPSA-N 2 2 403.531 0.450 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)[nH+]cn1 ZINC000672007696 1080229702 /nfs/dbraw/zinc/22/97/02/1080229702.db2.gz DHSXXDFHJUQTOZ-ZBFHGGJFSA-N 2 2 403.531 0.450 20 0 HCADLP CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)nc[nH+]1 ZINC000672007696 1080229692 /nfs/dbraw/zinc/22/96/92/1080229692.db2.gz DHSXXDFHJUQTOZ-ZBFHGGJFSA-N 2 2 403.531 0.450 20 0 HCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013401 1080240479 /nfs/dbraw/zinc/24/04/79/1080240479.db2.gz KKTVAKNFPKRMLX-KRWDZBQOSA-N 2 2 409.575 0.236 20 0 HCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013401 1080240472 /nfs/dbraw/zinc/24/04/72/1080240472.db2.gz KKTVAKNFPKRMLX-KRWDZBQOSA-N 2 2 409.575 0.236 20 0 HCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013403 1080240530 /nfs/dbraw/zinc/24/05/30/1080240530.db2.gz KKTVAKNFPKRMLX-QGZVFWFLSA-N 2 2 409.575 0.236 20 0 HCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013403 1080240526 /nfs/dbraw/zinc/24/05/26/1080240526.db2.gz KKTVAKNFPKRMLX-QGZVFWFLSA-N 2 2 409.575 0.236 20 0 HCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)cn1 ZINC000672013452 1080240552 /nfs/dbraw/zinc/24/05/52/1080240552.db2.gz KUWKXZJQUJFFSQ-KRWDZBQOSA-N 2 2 404.559 0.784 20 0 HCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)cn1 ZINC000672013452 1080240546 /nfs/dbraw/zinc/24/05/46/1080240546.db2.gz KUWKXZJQUJFFSQ-KRWDZBQOSA-N 2 2 404.559 0.784 20 0 HCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)cn1 ZINC000672013453 1080240394 /nfs/dbraw/zinc/24/03/94/1080240394.db2.gz KUWKXZJQUJFFSQ-QGZVFWFLSA-N 2 2 404.559 0.784 20 0 HCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)cn1 ZINC000672013453 1080240386 /nfs/dbraw/zinc/24/03/86/1080240386.db2.gz KUWKXZJQUJFFSQ-QGZVFWFLSA-N 2 2 404.559 0.784 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3nc4c(s3)CCCC4)C2)CC1 ZINC000672016004 1080242031 /nfs/dbraw/zinc/24/20/31/1080242031.db2.gz YXCGCDRIWPBZPE-HNNXBMFYSA-N 2 2 419.595 0.965 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3nc4c(s3)CCCC4)C2)CC1 ZINC000672016004 1080242025 /nfs/dbraw/zinc/24/20/25/1080242025.db2.gz YXCGCDRIWPBZPE-HNNXBMFYSA-N 2 2 419.595 0.965 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3nc4c(s3)CCCC4)C2)CC1 ZINC000672016005 1080241821 /nfs/dbraw/zinc/24/18/21/1080241821.db2.gz YXCGCDRIWPBZPE-OAHLLOKOSA-N 2 2 419.595 0.965 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3nc4c(s3)CCCC4)C2)CC1 ZINC000672016005 1080241812 /nfs/dbraw/zinc/24/18/12/1080241812.db2.gz YXCGCDRIWPBZPE-OAHLLOKOSA-N 2 2 419.595 0.965 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000672028911 1080251915 /nfs/dbraw/zinc/25/19/15/1080251915.db2.gz PLBPTPBKJZRRAB-IBGZPJMESA-N 2 2 424.549 0.816 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000672028911 1080251907 /nfs/dbraw/zinc/25/19/07/1080251907.db2.gz PLBPTPBKJZRRAB-IBGZPJMESA-N 2 2 424.549 0.816 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000672028912 1080251974 /nfs/dbraw/zinc/25/19/74/1080251974.db2.gz PLBPTPBKJZRRAB-LJQANCHMSA-N 2 2 424.549 0.816 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000672028912 1080251963 /nfs/dbraw/zinc/25/19/63/1080251963.db2.gz PLBPTPBKJZRRAB-LJQANCHMSA-N 2 2 424.549 0.816 20 0 HCADLP CN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000672056670 1080299924 /nfs/dbraw/zinc/29/99/24/1080299924.db2.gz BZDBSYQXVTWGJF-OAHLLOKOSA-N 2 2 407.481 0.224 20 0 HCADLP CN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000672056670 1080299915 /nfs/dbraw/zinc/29/99/15/1080299915.db2.gz BZDBSYQXVTWGJF-OAHLLOKOSA-N 2 2 407.481 0.224 20 0 HCADLP CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672102483 1080382284 /nfs/dbraw/zinc/38/22/84/1080382284.db2.gz ZKFBDJYUZGUFML-AFMYVXGZSA-N 3 2 407.603 0.850 20 0 HCADLP CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672102483 1080382272 /nfs/dbraw/zinc/38/22/72/1080382272.db2.gz ZKFBDJYUZGUFML-AFMYVXGZSA-N 3 2 407.603 0.850 20 0 HCADLP CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672102484 1080382406 /nfs/dbraw/zinc/38/24/06/1080382406.db2.gz ZKFBDJYUZGUFML-QLOJAFMTSA-N 3 2 407.603 0.850 20 0 HCADLP CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672102484 1080382394 /nfs/dbraw/zinc/38/23/94/1080382394.db2.gz ZKFBDJYUZGUFML-QLOJAFMTSA-N 3 2 407.603 0.850 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672111002 1080389454 /nfs/dbraw/zinc/38/94/54/1080389454.db2.gz WCLBYPPLCSURCM-MOPGFXCFSA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000672111002 1080389449 /nfs/dbraw/zinc/38/94/49/1080389449.db2.gz WCLBYPPLCSURCM-MOPGFXCFSA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672111002 1080389440 /nfs/dbraw/zinc/38/94/40/1080389440.db2.gz WCLBYPPLCSURCM-MOPGFXCFSA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672111002 1080389436 /nfs/dbraw/zinc/38/94/36/1080389436.db2.gz WCLBYPPLCSURCM-MOPGFXCFSA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672111003 1080389318 /nfs/dbraw/zinc/38/93/18/1080389318.db2.gz WCLBYPPLCSURCM-OALUTQOASA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000672111003 1080389313 /nfs/dbraw/zinc/38/93/13/1080389313.db2.gz WCLBYPPLCSURCM-OALUTQOASA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000672111003 1080389308 /nfs/dbraw/zinc/38/93/08/1080389308.db2.gz WCLBYPPLCSURCM-OALUTQOASA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000672111003 1080389305 /nfs/dbraw/zinc/38/93/05/1080389305.db2.gz WCLBYPPLCSURCM-OALUTQOASA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672111004 1080389273 /nfs/dbraw/zinc/38/92/73/1080389273.db2.gz WCLBYPPLCSURCM-RBUKOAKNSA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000672111004 1080389265 /nfs/dbraw/zinc/38/92/65/1080389265.db2.gz WCLBYPPLCSURCM-RBUKOAKNSA-N 2 2 415.538 0.348 20 0 HCADLP 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CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672111005 1080389539 /nfs/dbraw/zinc/38/95/39/1080389539.db2.gz WCLBYPPLCSURCM-RTBURBONSA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672111566 1080392510 /nfs/dbraw/zinc/39/25/10/1080392510.db2.gz BDWDCFFTUYDAPX-DLBZAZTESA-N 2 2 404.515 0.106 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672111566 1080392497 /nfs/dbraw/zinc/39/24/97/1080392497.db2.gz BDWDCFFTUYDAPX-DLBZAZTESA-N 2 2 404.515 0.106 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672111567 1080392307 /nfs/dbraw/zinc/39/23/07/1080392307.db2.gz BDWDCFFTUYDAPX-IAGOWNOFSA-N 2 2 404.515 0.106 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672111567 1080392301 /nfs/dbraw/zinc/39/23/01/1080392301.db2.gz BDWDCFFTUYDAPX-IAGOWNOFSA-N 2 2 404.515 0.106 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672111568 1080392384 /nfs/dbraw/zinc/39/23/84/1080392384.db2.gz BDWDCFFTUYDAPX-IRXDYDNUSA-N 2 2 404.515 0.106 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672111568 1080392379 /nfs/dbraw/zinc/39/23/79/1080392379.db2.gz BDWDCFFTUYDAPX-IRXDYDNUSA-N 2 2 404.515 0.106 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672111569 1080392252 /nfs/dbraw/zinc/39/22/52/1080392252.db2.gz BDWDCFFTUYDAPX-SJORKVTESA-N 2 2 404.515 0.106 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672111569 1080392245 /nfs/dbraw/zinc/39/22/45/1080392245.db2.gz BDWDCFFTUYDAPX-SJORKVTESA-N 2 2 404.515 0.106 20 0 HCADLP CN(C(=O)C(=O)NCCc1cccc(C(N)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672114017 1080395671 /nfs/dbraw/zinc/39/56/71/1080395671.db2.gz UAWHVVBDYGKOJN-IBGZPJMESA-N 2 2 415.538 0.071 20 0 HCADLP CN(C(=O)C(=O)NCCc1cccc(C(N)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672114017 1080395662 /nfs/dbraw/zinc/39/56/62/1080395662.db2.gz UAWHVVBDYGKOJN-IBGZPJMESA-N 2 2 415.538 0.071 20 0 HCADLP CN(C(=O)C(=O)NCCc1cccc(C(N)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672114018 1080396105 /nfs/dbraw/zinc/39/61/05/1080396105.db2.gz UAWHVVBDYGKOJN-LJQANCHMSA-N 2 2 415.538 0.071 20 0 HCADLP CN(C(=O)C(=O)NCCc1cccc(C(N)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672114018 1080396096 /nfs/dbraw/zinc/39/60/96/1080396096.db2.gz UAWHVVBDYGKOJN-LJQANCHMSA-N 2 2 415.538 0.071 20 0 HCADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672117492 1080405606 /nfs/dbraw/zinc/40/56/06/1080405606.db2.gz JAYBOQBEGNUBQI-LEWJYISDSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672117492 1080405595 /nfs/dbraw/zinc/40/55/95/1080405595.db2.gz JAYBOQBEGNUBQI-LEWJYISDSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672117496 1080405812 /nfs/dbraw/zinc/40/58/12/1080405812.db2.gz JAYBOQBEGNUBQI-NHCUHLMSSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672117496 1080405787 /nfs/dbraw/zinc/40/57/87/1080405787.db2.gz JAYBOQBEGNUBQI-NHCUHLMSSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672117497 1080405251 /nfs/dbraw/zinc/40/52/51/1080405251.db2.gz JAYBOQBEGNUBQI-RTWAWAEBSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672117497 1080405229 /nfs/dbraw/zinc/40/52/29/1080405229.db2.gz JAYBOQBEGNUBQI-RTWAWAEBSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672117498 1080405536 /nfs/dbraw/zinc/40/55/36/1080405536.db2.gz JAYBOQBEGNUBQI-SFTDATJTSA-N 2 2 414.550 0.948 20 0 HCADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672117498 1080405505 /nfs/dbraw/zinc/40/55/05/1080405505.db2.gz JAYBOQBEGNUBQI-SFTDATJTSA-N 2 2 414.550 0.948 20 0 HCADLP Cc1nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc2ccccc12 ZINC000672119821 1080409532 /nfs/dbraw/zinc/40/95/32/1080409532.db2.gz VAPVHQODBUUUCF-INIZCTEOSA-N 2 2 410.522 0.839 20 0 HCADLP Cc1nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc2ccccc12 ZINC000672119821 1080409510 /nfs/dbraw/zinc/40/95/10/1080409510.db2.gz VAPVHQODBUUUCF-INIZCTEOSA-N 2 2 410.522 0.839 20 0 HCADLP Cc1nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc2ccccc12 ZINC000672119822 1080409174 /nfs/dbraw/zinc/40/91/74/1080409174.db2.gz VAPVHQODBUUUCF-MRXNPFEDSA-N 2 2 410.522 0.839 20 0 HCADLP Cc1nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc2ccccc12 ZINC000672119822 1080409161 /nfs/dbraw/zinc/40/91/61/1080409161.db2.gz VAPVHQODBUUUCF-MRXNPFEDSA-N 2 2 410.522 0.839 20 0 HCADLP CN(C(=O)C(=O)NCCOCc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672162257 1080466771 /nfs/dbraw/zinc/46/67/71/1080466771.db2.gz ARFJMMLHAFXHRI-FQEVSTJZSA-N 2 2 402.539 0.946 20 0 HCADLP CN(C(=O)C(=O)NCCOCc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672162257 1080466754 /nfs/dbraw/zinc/46/67/54/1080466754.db2.gz ARFJMMLHAFXHRI-FQEVSTJZSA-N 2 2 402.539 0.946 20 0 HCADLP CN(C(=O)C(=O)NCCOCc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672162258 1080467791 /nfs/dbraw/zinc/46/77/91/1080467791.db2.gz ARFJMMLHAFXHRI-HXUWFJFHSA-N 2 2 402.539 0.946 20 0 HCADLP CN(C(=O)C(=O)NCCOCc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672162258 1080467787 /nfs/dbraw/zinc/46/77/87/1080467787.db2.gz ARFJMMLHAFXHRI-HXUWFJFHSA-N 2 2 402.539 0.946 20 0 HCADLP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000672164429 1080474850 /nfs/dbraw/zinc/47/48/50/1080474850.db2.gz QBMMQXFKKIQZRH-AZUAARDMSA-N 2 2 402.539 0.946 20 0 HCADLP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000672164429 1080474845 /nfs/dbraw/zinc/47/48/45/1080474845.db2.gz QBMMQXFKKIQZRH-AZUAARDMSA-N 2 2 402.539 0.946 20 0 HCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000672164429 1080474841 /nfs/dbraw/zinc/47/48/41/1080474841.db2.gz QBMMQXFKKIQZRH-AZUAARDMSA-N 2 2 402.539 0.946 20 0 HCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000672164429 1080474837 /nfs/dbraw/zinc/47/48/37/1080474837.db2.gz QBMMQXFKKIQZRH-AZUAARDMSA-N 2 2 402.539 0.946 20 0 HCADLP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000672164430 1080474774 /nfs/dbraw/zinc/47/47/74/1080474774.db2.gz QBMMQXFKKIQZRH-ICSRJNTNSA-N 2 2 402.539 0.946 20 0 HCADLP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000672164430 1080474768 /nfs/dbraw/zinc/47/47/68/1080474768.db2.gz QBMMQXFKKIQZRH-ICSRJNTNSA-N 2 2 402.539 0.946 20 0 HCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000672164430 1080474761 /nfs/dbraw/zinc/47/47/61/1080474761.db2.gz QBMMQXFKKIQZRH-ICSRJNTNSA-N 2 2 402.539 0.946 20 0 HCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000672164430 1080474752 /nfs/dbraw/zinc/47/47/52/1080474752.db2.gz QBMMQXFKKIQZRH-ICSRJNTNSA-N 2 2 402.539 0.946 20 0 HCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000672165457 1080475294 /nfs/dbraw/zinc/47/52/94/1080475294.db2.gz FBAJAIXLIQSIKP-UHFFFAOYSA-N 2 2 402.539 0.948 20 0 HCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000672165545 1080475449 /nfs/dbraw/zinc/47/54/49/1080475449.db2.gz WTHDYXUMWZKRJK-GOSISDBHSA-N 2 2 403.527 0.833 20 0 HCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000672165545 1080475440 /nfs/dbraw/zinc/47/54/40/1080475440.db2.gz WTHDYXUMWZKRJK-GOSISDBHSA-N 2 2 403.527 0.833 20 0 HCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000672165546 1080475623 /nfs/dbraw/zinc/47/56/23/1080475623.db2.gz WTHDYXUMWZKRJK-SFHVURJKSA-N 2 2 403.527 0.833 20 0 HCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000672165546 1080475613 /nfs/dbraw/zinc/47/56/13/1080475613.db2.gz WTHDYXUMWZKRJK-SFHVURJKSA-N 2 2 403.527 0.833 20 0 HCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672165718 1080475329 /nfs/dbraw/zinc/47/53/29/1080475329.db2.gz NLPPHOZZLIBUHY-FQEVSTJZSA-N 3 2 423.602 0.230 20 0 HCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672165718 1080475326 /nfs/dbraw/zinc/47/53/26/1080475326.db2.gz NLPPHOZZLIBUHY-FQEVSTJZSA-N 3 2 423.602 0.230 20 0 HCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672165719 1080475552 /nfs/dbraw/zinc/47/55/52/1080475552.db2.gz NLPPHOZZLIBUHY-HXUWFJFHSA-N 3 2 423.602 0.230 20 0 HCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672165719 1080475546 /nfs/dbraw/zinc/47/55/46/1080475546.db2.gz NLPPHOZZLIBUHY-HXUWFJFHSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H](O)C[NH+]1CCN(c2nc(C3CC3)cc(N3CC[NH+](C[C@H](C)O)CC3)n2)CC1 ZINC000672207146 1080506072 /nfs/dbraw/zinc/50/60/72/1080506072.db2.gz JMYPJEGDLPXEID-DLBZAZTESA-N 2 2 404.559 0.360 20 0 HCADLP C[C@@H](O)C[NH+]1CCN(c2cc(C3CC3)nc(N3CC[NH+](C[C@@H](C)O)CC3)n2)CC1 ZINC000672207147 1080505866 /nfs/dbraw/zinc/50/58/66/1080505866.db2.gz JMYPJEGDLPXEID-IAGOWNOFSA-N 2 2 404.559 0.360 20 0 HCADLP C[C@@H](O)C[NH+]1CCN(c2cc(C3CC3)nc(N3CC[NH+](C[C@H](C)O)CC3)n2)CC1 ZINC000672207148 1080506149 /nfs/dbraw/zinc/50/61/49/1080506149.db2.gz JMYPJEGDLPXEID-SJORKVTESA-N 2 2 404.559 0.360 20 0 HCADLP C[C@@H](O)C[NH+]1CCN(c2nc(N3CC[NH+](C[C@H](C)O)CC3)nc3c2SCC3)CC1 ZINC000672207157 1080506061 /nfs/dbraw/zinc/50/60/61/1080506061.db2.gz MLXZUWIQZBEMMW-CVEARBPZSA-N 2 2 422.599 0.130 20 0 HCADLP C[C@@H](O)C[NH+]1CCN(c2nc3c(c(N4CC[NH+](C[C@@H](C)O)CC4)n2)SCC3)CC1 ZINC000672207158 1080506117 /nfs/dbraw/zinc/50/61/17/1080506117.db2.gz MLXZUWIQZBEMMW-HZPDHXFCSA-N 2 2 422.599 0.130 20 0 HCADLP C[C@@H](O)C[NH+]1CCN(c2nc3c(c(N4CC[NH+](C[C@H](C)O)CC4)n2)SCC3)CC1 ZINC000672207159 1080505828 /nfs/dbraw/zinc/50/58/28/1080505828.db2.gz MLXZUWIQZBEMMW-JKSUJKDBSA-N 2 2 422.599 0.130 20 0 HCADLP COc1cnc(N2CC[NH+](C(C)(C)CO)CC2)nc1N1CC[NH+](C(C)(C)CO)CC1 ZINC000672217034 1080509006 /nfs/dbraw/zinc/50/90/06/1080509006.db2.gz KXLTYXMEGMULGV-UHFFFAOYSA-N 2 2 422.574 0.271 20 0 HCADLP CCn1nc(C)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000672218060 1080509246 /nfs/dbraw/zinc/50/92/46/1080509246.db2.gz OVLZSEJPUWWHFW-GOSISDBHSA-N 2 2 404.559 0.763 20 0 HCADLP CCn1nc(C)c(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000672218060 1080509231 /nfs/dbraw/zinc/50/92/31/1080509231.db2.gz OVLZSEJPUWWHFW-GOSISDBHSA-N 2 2 404.559 0.763 20 0 HCADLP CCn1nc(C)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000672218061 1080508814 /nfs/dbraw/zinc/50/88/14/1080508814.db2.gz OVLZSEJPUWWHFW-SFHVURJKSA-N 2 2 404.559 0.763 20 0 HCADLP CCn1nc(C)c(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000672218061 1080508796 /nfs/dbraw/zinc/50/87/96/1080508796.db2.gz OVLZSEJPUWWHFW-SFHVURJKSA-N 2 2 404.559 0.763 20 0 HCADLP COc1ccccc1OCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672259504 1080530537 /nfs/dbraw/zinc/53/05/37/1080530537.db2.gz QMNMQDCQXUVINP-KRWDZBQOSA-N 2 2 418.538 0.865 20 0 HCADLP COc1ccccc1OCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672259504 1080530524 /nfs/dbraw/zinc/53/05/24/1080530524.db2.gz QMNMQDCQXUVINP-KRWDZBQOSA-N 2 2 418.538 0.865 20 0 HCADLP COc1ccccc1OCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672259505 1080530759 /nfs/dbraw/zinc/53/07/59/1080530759.db2.gz QMNMQDCQXUVINP-QGZVFWFLSA-N 2 2 418.538 0.865 20 0 HCADLP COc1ccccc1OCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672259505 1080530740 /nfs/dbraw/zinc/53/07/40/1080530740.db2.gz QMNMQDCQXUVINP-QGZVFWFLSA-N 2 2 418.538 0.865 20 0 HCADLP COc1cnc(N2CC[N@@H+](CCO)C(C)(C)C2)nc1N1CC[NH+](CCO)C(C)(C)C1 ZINC000672261047 1080530360 /nfs/dbraw/zinc/53/03/60/1080530360.db2.gz XIBBNPKPFZAOLI-UHFFFAOYSA-N 2 2 422.574 0.271 20 0 HCADLP COc1cnc(N2CC[N@H+](CCO)C(C)(C)C2)nc1N1CC[NH+](CCO)C(C)(C)C1 ZINC000672261047 1080530344 /nfs/dbraw/zinc/53/03/44/1080530344.db2.gz XIBBNPKPFZAOLI-UHFFFAOYSA-N 2 2 422.574 0.271 20 0 HCADLP COc1cnc(N2CC[NH+](CCO)C(C)(C)C2)nc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672261047 1080530330 /nfs/dbraw/zinc/53/03/30/1080530330.db2.gz XIBBNPKPFZAOLI-UHFFFAOYSA-N 2 2 422.574 0.271 20 0 HCADLP COc1cnc(N2CC[NH+](CCO)C(C)(C)C2)nc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672261047 1080530314 /nfs/dbraw/zinc/53/03/14/1080530314.db2.gz XIBBNPKPFZAOLI-UHFFFAOYSA-N 2 2 422.574 0.271 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000672264722 1080535934 /nfs/dbraw/zinc/53/59/34/1080535934.db2.gz VSSKJDUXJHQPRP-INIZCTEOSA-N 2 2 406.502 0.778 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000672264722 1080535917 /nfs/dbraw/zinc/53/59/17/1080535917.db2.gz VSSKJDUXJHQPRP-INIZCTEOSA-N 2 2 406.502 0.778 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000672264723 1080535609 /nfs/dbraw/zinc/53/56/09/1080535609.db2.gz VSSKJDUXJHQPRP-MRXNPFEDSA-N 2 2 406.502 0.778 20 0 HCADLP COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000672264723 1080535604 /nfs/dbraw/zinc/53/56/04/1080535604.db2.gz VSSKJDUXJHQPRP-MRXNPFEDSA-N 2 2 406.502 0.778 20 0 HCADLP COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672269640 1080542836 /nfs/dbraw/zinc/54/28/36/1080542836.db2.gz WADOJKPUCQWBCD-DLBZAZTESA-N 2 2 416.522 0.400 20 0 HCADLP COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672269640 1080542830 /nfs/dbraw/zinc/54/28/30/1080542830.db2.gz WADOJKPUCQWBCD-DLBZAZTESA-N 2 2 416.522 0.400 20 0 HCADLP COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672269641 1080543098 /nfs/dbraw/zinc/54/30/98/1080543098.db2.gz WADOJKPUCQWBCD-IAGOWNOFSA-N 2 2 416.522 0.400 20 0 HCADLP COc1cccc2c1OC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672269641 1080543088 /nfs/dbraw/zinc/54/30/88/1080543088.db2.gz WADOJKPUCQWBCD-IAGOWNOFSA-N 2 2 416.522 0.400 20 0 HCADLP COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672269642 1080543705 /nfs/dbraw/zinc/54/37/05/1080543705.db2.gz WADOJKPUCQWBCD-IRXDYDNUSA-N 2 2 416.522 0.400 20 0 HCADLP COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672269642 1080543700 /nfs/dbraw/zinc/54/37/00/1080543700.db2.gz WADOJKPUCQWBCD-IRXDYDNUSA-N 2 2 416.522 0.400 20 0 HCADLP COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672269643 1080543540 /nfs/dbraw/zinc/54/35/40/1080543540.db2.gz WADOJKPUCQWBCD-SJORKVTESA-N 2 2 416.522 0.400 20 0 HCADLP COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672269643 1080543533 /nfs/dbraw/zinc/54/35/33/1080543533.db2.gz WADOJKPUCQWBCD-SJORKVTESA-N 2 2 416.522 0.400 20 0 HCADLP COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C2 ZINC000672269691 1080543473 /nfs/dbraw/zinc/54/34/73/1080543473.db2.gz XDRMETHAUBFZLW-KRWDZBQOSA-N 2 2 418.538 0.599 20 0 HCADLP COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C2 ZINC000672269691 1080543464 /nfs/dbraw/zinc/54/34/64/1080543464.db2.gz XDRMETHAUBFZLW-KRWDZBQOSA-N 2 2 418.538 0.599 20 0 HCADLP COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C2 ZINC000672269692 1080543595 /nfs/dbraw/zinc/54/35/95/1080543595.db2.gz XDRMETHAUBFZLW-QGZVFWFLSA-N 2 2 418.538 0.599 20 0 HCADLP COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C2 ZINC000672269692 1080543587 /nfs/dbraw/zinc/54/35/87/1080543587.db2.gz XDRMETHAUBFZLW-QGZVFWFLSA-N 2 2 418.538 0.599 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672304036 1080554849 /nfs/dbraw/zinc/55/48/49/1080554849.db2.gz FWDGSSYIEVMMRR-HKUYNNGSSA-N 2 2 414.554 0.309 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672304036 1080554841 /nfs/dbraw/zinc/55/48/41/1080554841.db2.gz FWDGSSYIEVMMRR-HKUYNNGSSA-N 2 2 414.554 0.309 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672304038 1080554943 /nfs/dbraw/zinc/55/49/43/1080554943.db2.gz FWDGSSYIEVMMRR-IEBWSBKVSA-N 2 2 414.554 0.309 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672304038 1080554941 /nfs/dbraw/zinc/55/49/41/1080554941.db2.gz FWDGSSYIEVMMRR-IEBWSBKVSA-N 2 2 414.554 0.309 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672304039 1080554719 /nfs/dbraw/zinc/55/47/19/1080554719.db2.gz FWDGSSYIEVMMRR-MJGOQNOKSA-N 2 2 414.554 0.309 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672304039 1080554712 /nfs/dbraw/zinc/55/47/12/1080554712.db2.gz FWDGSSYIEVMMRR-MJGOQNOKSA-N 2 2 414.554 0.309 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672304040 1080555320 /nfs/dbraw/zinc/55/53/20/1080555320.db2.gz FWDGSSYIEVMMRR-PKOBYXMFSA-N 2 2 414.554 0.309 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672304040 1080555314 /nfs/dbraw/zinc/55/53/14/1080555314.db2.gz FWDGSSYIEVMMRR-PKOBYXMFSA-N 2 2 414.554 0.309 20 0 HCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672306486 1080556569 /nfs/dbraw/zinc/55/65/69/1080556569.db2.gz LGQIRUGAOGWFBH-FQEVSTJZSA-N 2 2 413.566 0.868 20 0 HCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672306486 1080556559 /nfs/dbraw/zinc/55/65/59/1080556559.db2.gz LGQIRUGAOGWFBH-FQEVSTJZSA-N 2 2 413.566 0.868 20 0 HCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672306487 1080556721 /nfs/dbraw/zinc/55/67/21/1080556721.db2.gz LGQIRUGAOGWFBH-HXUWFJFHSA-N 2 2 413.566 0.868 20 0 HCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672306487 1080556713 /nfs/dbraw/zinc/55/67/13/1080556713.db2.gz LGQIRUGAOGWFBH-HXUWFJFHSA-N 2 2 413.566 0.868 20 0 HCADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672312912 1080560215 /nfs/dbraw/zinc/56/02/15/1080560215.db2.gz KZUCXINOZMQOQM-GOSISDBHSA-N 2 2 408.543 0.071 20 0 HCADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672312913 1080560626 /nfs/dbraw/zinc/56/06/26/1080560626.db2.gz KZUCXINOZMQOQM-SFHVURJKSA-N 2 2 408.543 0.071 20 0 HCADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000672313129 1080562325 /nfs/dbraw/zinc/56/23/25/1080562325.db2.gz MXRMODYOPAPGEK-KRWDZBQOSA-N 2 2 401.511 0.538 20 0 HCADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000672313130 1080562382 /nfs/dbraw/zinc/56/23/82/1080562382.db2.gz MXRMODYOPAPGEK-QGZVFWFLSA-N 2 2 401.511 0.538 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313416 1080561419 /nfs/dbraw/zinc/56/14/19/1080561419.db2.gz ZBDBKXACURVJHH-GOSISDBHSA-N 3 2 421.586 0.032 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313416 1080561408 /nfs/dbraw/zinc/56/14/08/1080561408.db2.gz ZBDBKXACURVJHH-GOSISDBHSA-N 3 2 421.586 0.032 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313417 1080561600 /nfs/dbraw/zinc/56/16/00/1080561600.db2.gz ZBDBKXACURVJHH-SFHVURJKSA-N 3 2 421.586 0.032 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313417 1080561591 /nfs/dbraw/zinc/56/15/91/1080561591.db2.gz ZBDBKXACURVJHH-SFHVURJKSA-N 3 2 421.586 0.032 20 0 HCADLP CN(C(=O)C(=O)NCCCN1CCCCC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672320573 1080564074 /nfs/dbraw/zinc/56/40/74/1080564074.db2.gz HONPVWXMHUICMG-GOSISDBHSA-N 2 2 407.559 0.132 20 0 HCADLP CN(C(=O)C(=O)NCCCN1CCCCC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672320573 1080564064 /nfs/dbraw/zinc/56/40/64/1080564064.db2.gz HONPVWXMHUICMG-GOSISDBHSA-N 2 2 407.559 0.132 20 0 HCADLP CN(C(=O)C(=O)NCCCN1CCCCC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672320574 1080564030 /nfs/dbraw/zinc/56/40/30/1080564030.db2.gz HONPVWXMHUICMG-SFHVURJKSA-N 2 2 407.559 0.132 20 0 HCADLP CN(C(=O)C(=O)NCCCN1CCCCC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672320574 1080564021 /nfs/dbraw/zinc/56/40/21/1080564021.db2.gz HONPVWXMHUICMG-SFHVURJKSA-N 2 2 407.559 0.132 20 0 HCADLP COCC[NH+](CCOC)C1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000672330273 1080566972 /nfs/dbraw/zinc/56/69/72/1080566972.db2.gz VMUDIPZKDNFCAE-UHFFFAOYSA-N 2 2 406.531 0.319 20 0 HCADLP COCC[NH+](CCOC)C1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000672330273 1080566962 /nfs/dbraw/zinc/56/69/62/1080566962.db2.gz VMUDIPZKDNFCAE-UHFFFAOYSA-N 2 2 406.531 0.319 20 0 HCADLP CCCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672346721 1080571313 /nfs/dbraw/zinc/57/13/13/1080571313.db2.gz RSVXBJFUVQNPSZ-KRWDZBQOSA-N 2 2 403.527 0.771 20 0 HCADLP CCCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672346721 1080571304 /nfs/dbraw/zinc/57/13/04/1080571304.db2.gz RSVXBJFUVQNPSZ-KRWDZBQOSA-N 2 2 403.527 0.771 20 0 HCADLP CCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672346722 1080571454 /nfs/dbraw/zinc/57/14/54/1080571454.db2.gz RSVXBJFUVQNPSZ-QGZVFWFLSA-N 2 2 403.527 0.771 20 0 HCADLP CCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672346722 1080571446 /nfs/dbraw/zinc/57/14/46/1080571446.db2.gz RSVXBJFUVQNPSZ-QGZVFWFLSA-N 2 2 403.527 0.771 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOc3ccc(F)cc3F)C2)CC1 ZINC000672364154 1080576796 /nfs/dbraw/zinc/57/67/96/1080576796.db2.gz SSWONQYKWWKIBU-HNNXBMFYSA-N 2 2 410.465 0.745 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOc3ccc(F)cc3F)C2)CC1 ZINC000672364154 1080576789 /nfs/dbraw/zinc/57/67/89/1080576789.db2.gz SSWONQYKWWKIBU-HNNXBMFYSA-N 2 2 410.465 0.745 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOc3ccc(F)cc3F)C2)CC1 ZINC000672364155 1080576967 /nfs/dbraw/zinc/57/69/67/1080576967.db2.gz SSWONQYKWWKIBU-OAHLLOKOSA-N 2 2 410.465 0.745 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOc3ccc(F)cc3F)C2)CC1 ZINC000672364155 1080576960 /nfs/dbraw/zinc/57/69/60/1080576960.db2.gz SSWONQYKWWKIBU-OAHLLOKOSA-N 2 2 410.465 0.745 20 0 HCADLP COCc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000672364974 1080577467 /nfs/dbraw/zinc/57/74/67/1080577467.db2.gz UYOYCUMSBSASIS-KRWDZBQOSA-N 2 2 406.502 0.873 20 0 HCADLP COCc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000672364974 1080577455 /nfs/dbraw/zinc/57/74/55/1080577455.db2.gz UYOYCUMSBSASIS-KRWDZBQOSA-N 2 2 406.502 0.873 20 0 HCADLP COCc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000672364975 1080577700 /nfs/dbraw/zinc/57/77/00/1080577700.db2.gz UYOYCUMSBSASIS-QGZVFWFLSA-N 2 2 406.502 0.873 20 0 HCADLP COCc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000672364975 1080577690 /nfs/dbraw/zinc/57/76/90/1080577690.db2.gz UYOYCUMSBSASIS-QGZVFWFLSA-N 2 2 406.502 0.873 20 0 HCADLP Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)C2)nc(C)[nH+]1 ZINC000672408564 1080597381 /nfs/dbraw/zinc/59/73/81/1080597381.db2.gz RLOISYRRXZXNOP-MSOLQXFVSA-N 2 2 402.543 0.977 20 0 HCADLP Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)C2)nc(C)[nH+]1 ZINC000672408564 1080597370 /nfs/dbraw/zinc/59/73/70/1080597370.db2.gz RLOISYRRXZXNOP-MSOLQXFVSA-N 2 2 402.543 0.977 20 0 HCADLP Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)C2)nc(C)[nH+]1 ZINC000672408566 1080597067 /nfs/dbraw/zinc/59/70/67/1080597067.db2.gz RLOISYRRXZXNOP-QZTJIDSGSA-N 2 2 402.543 0.977 20 0 HCADLP Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)C2)nc(C)[nH+]1 ZINC000672408566 1080597058 /nfs/dbraw/zinc/59/70/58/1080597058.db2.gz RLOISYRRXZXNOP-QZTJIDSGSA-N 2 2 402.543 0.977 20 0 HCADLP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)C2)nc(C)[nH+]1 ZINC000672408567 1080597220 /nfs/dbraw/zinc/59/72/20/1080597220.db2.gz RLOISYRRXZXNOP-ROUUACIJSA-N 2 2 402.543 0.977 20 0 HCADLP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)C2)nc(C)[nH+]1 ZINC000672408567 1080597214 /nfs/dbraw/zinc/59/72/14/1080597214.db2.gz RLOISYRRXZXNOP-ROUUACIJSA-N 2 2 402.543 0.977 20 0 HCADLP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)C2)nc(C)[nH+]1 ZINC000672408568 1080597161 /nfs/dbraw/zinc/59/71/61/1080597161.db2.gz RLOISYRRXZXNOP-ZWKOTPCHSA-N 2 2 402.543 0.977 20 0 HCADLP Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)C2)nc(C)[nH+]1 ZINC000672408568 1080597154 /nfs/dbraw/zinc/59/71/54/1080597154.db2.gz RLOISYRRXZXNOP-ZWKOTPCHSA-N 2 2 402.543 0.977 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427428 1080601960 /nfs/dbraw/zinc/60/19/60/1080601960.db2.gz CYSILVBFGIODRP-DOTOQJQBSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427428 1080601956 /nfs/dbraw/zinc/60/19/56/1080601956.db2.gz CYSILVBFGIODRP-DOTOQJQBSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427429 1080602054 /nfs/dbraw/zinc/60/20/54/1080602054.db2.gz CYSILVBFGIODRP-NVXWUHKLSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427429 1080602050 /nfs/dbraw/zinc/60/20/50/1080602050.db2.gz CYSILVBFGIODRP-NVXWUHKLSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427430 1080602032 /nfs/dbraw/zinc/60/20/32/1080602032.db2.gz CYSILVBFGIODRP-RDJZCZTQSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427430 1080602029 /nfs/dbraw/zinc/60/20/29/1080602029.db2.gz CYSILVBFGIODRP-RDJZCZTQSA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427431 1080601979 /nfs/dbraw/zinc/60/19/79/1080601979.db2.gz CYSILVBFGIODRP-WBVHZDCISA-N 2 2 401.577 0.268 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000672427431 1080601974 /nfs/dbraw/zinc/60/19/74/1080601974.db2.gz CYSILVBFGIODRP-WBVHZDCISA-N 2 2 401.577 0.268 20 0 HCADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672427436 1080601928 /nfs/dbraw/zinc/60/19/28/1080601928.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 3 2 420.602 0.538 20 0 HCADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672427436 1080601925 /nfs/dbraw/zinc/60/19/25/1080601925.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 3 2 420.602 0.538 20 0 HCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[NH+](C3CC[NH+](C)CC3)C1)C2 ZINC000672427436 1080601921 /nfs/dbraw/zinc/60/19/21/1080601921.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 3 2 420.602 0.538 20 0 HCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[NH+](C3CC[NH+](C)CC3)C1)C2 ZINC000672427436 1080601917 /nfs/dbraw/zinc/60/19/17/1080601917.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 3 2 420.602 0.538 20 0 HCADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672427437 1080602178 /nfs/dbraw/zinc/60/21/78/1080602178.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 3 2 420.602 0.538 20 0 HCADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000672427437 1080602171 /nfs/dbraw/zinc/60/21/71/1080602171.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 3 2 420.602 0.538 20 0 HCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[NH+](C3CC[NH+](C)CC3)C1)C2 ZINC000672427437 1080602168 /nfs/dbraw/zinc/60/21/68/1080602168.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 3 2 420.602 0.538 20 0 HCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[NH+](C3CC[NH+](C)CC3)C1)C2 ZINC000672427437 1080602153 /nfs/dbraw/zinc/60/21/53/1080602153.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 3 2 420.602 0.538 20 0 HCADLP CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672427470 1080602008 /nfs/dbraw/zinc/60/20/08/1080602008.db2.gz HAIBQDOABBKHDW-DOTOQJQBSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672427470 1080602006 /nfs/dbraw/zinc/60/20/06/1080602006.db2.gz HAIBQDOABBKHDW-DOTOQJQBSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672427471 1080602235 /nfs/dbraw/zinc/60/22/35/1080602235.db2.gz HAIBQDOABBKHDW-NVXWUHKLSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672427471 1080602230 /nfs/dbraw/zinc/60/22/30/1080602230.db2.gz HAIBQDOABBKHDW-NVXWUHKLSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672427472 1080602102 /nfs/dbraw/zinc/60/21/02/1080602102.db2.gz HAIBQDOABBKHDW-RDJZCZTQSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672427472 1080602095 /nfs/dbraw/zinc/60/20/95/1080602095.db2.gz HAIBQDOABBKHDW-RDJZCZTQSA-N 2 2 401.577 0.220 20 0 HCADLP CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672427473 1080601849 /nfs/dbraw/zinc/60/18/49/1080601849.db2.gz HAIBQDOABBKHDW-WBVHZDCISA-N 2 2 401.577 0.220 20 0 HCADLP CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672427473 1080601841 /nfs/dbraw/zinc/60/18/41/1080601841.db2.gz HAIBQDOABBKHDW-WBVHZDCISA-N 2 2 401.577 0.220 20 0 HCADLP CN(C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1)S(C)(=O)=O ZINC000672427566 1080602078 /nfs/dbraw/zinc/60/20/78/1080602078.db2.gz PBUKRAIHPVMMPW-DLBZAZTESA-N 2 2 415.604 0.468 20 0 HCADLP CN(C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1)S(C)(=O)=O ZINC000672427566 1080602073 /nfs/dbraw/zinc/60/20/73/1080602073.db2.gz PBUKRAIHPVMMPW-DLBZAZTESA-N 2 2 415.604 0.468 20 0 HCADLP CN(C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1)S(C)(=O)=O ZINC000672427567 1080601945 /nfs/dbraw/zinc/60/19/45/1080601945.db2.gz PBUKRAIHPVMMPW-IAGOWNOFSA-N 2 2 415.604 0.468 20 0 HCADLP CN(C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1)S(C)(=O)=O ZINC000672427567 1080601942 /nfs/dbraw/zinc/60/19/42/1080601942.db2.gz PBUKRAIHPVMMPW-IAGOWNOFSA-N 2 2 415.604 0.468 20 0 HCADLP CN(C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1)S(C)(=O)=O ZINC000672427568 1080602207 /nfs/dbraw/zinc/60/22/07/1080602207.db2.gz PBUKRAIHPVMMPW-IRXDYDNUSA-N 2 2 415.604 0.468 20 0 HCADLP CN(C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1)S(C)(=O)=O ZINC000672427568 1080602204 /nfs/dbraw/zinc/60/22/04/1080602204.db2.gz PBUKRAIHPVMMPW-IRXDYDNUSA-N 2 2 415.604 0.468 20 0 HCADLP CN(C[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1)S(C)(=O)=O ZINC000672427569 1080602017 /nfs/dbraw/zinc/60/20/17/1080602017.db2.gz PBUKRAIHPVMMPW-SJORKVTESA-N 2 2 415.604 0.468 20 0 HCADLP CN(C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1)S(C)(=O)=O ZINC000672427569 1080602015 /nfs/dbraw/zinc/60/20/15/1080602015.db2.gz PBUKRAIHPVMMPW-SJORKVTESA-N 2 2 415.604 0.468 20 0 HCADLP CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000672427592 1080601157 /nfs/dbraw/zinc/60/11/57/1080601157.db2.gz QFMCYCBXZKQANR-CVEARBPZSA-N 2 2 401.577 0.220 20 0 HCADLP CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000672427592 1080601150 /nfs/dbraw/zinc/60/11/50/1080601150.db2.gz QFMCYCBXZKQANR-CVEARBPZSA-N 2 2 401.577 0.220 20 0 HCADLP CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000672427593 1080600976 /nfs/dbraw/zinc/60/09/76/1080600976.db2.gz QFMCYCBXZKQANR-HZPDHXFCSA-N 2 2 401.577 0.220 20 0 HCADLP CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000672427593 1080600967 /nfs/dbraw/zinc/60/09/67/1080600967.db2.gz QFMCYCBXZKQANR-HZPDHXFCSA-N 2 2 401.577 0.220 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427594 1080600937 /nfs/dbraw/zinc/60/09/37/1080600937.db2.gz QJMDTYBIIATXSH-GDBMZVCRSA-N 2 2 407.481 0.717 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427594 1080600935 /nfs/dbraw/zinc/60/09/35/1080600935.db2.gz QJMDTYBIIATXSH-GDBMZVCRSA-N 2 2 407.481 0.717 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427595 1080601188 /nfs/dbraw/zinc/60/11/88/1080601188.db2.gz QJMDTYBIIATXSH-GOEBONIOSA-N 2 2 407.481 0.717 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427595 1080601184 /nfs/dbraw/zinc/60/11/84/1080601184.db2.gz QJMDTYBIIATXSH-GOEBONIOSA-N 2 2 407.481 0.717 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427596 1080601089 /nfs/dbraw/zinc/60/10/89/1080601089.db2.gz QJMDTYBIIATXSH-HOCLYGCPSA-N 2 2 407.481 0.717 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427596 1080601080 /nfs/dbraw/zinc/60/10/80/1080601080.db2.gz QJMDTYBIIATXSH-HOCLYGCPSA-N 2 2 407.481 0.717 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427597 1080601999 /nfs/dbraw/zinc/60/19/99/1080601999.db2.gz QJMDTYBIIATXSH-ZBFHGGJFSA-N 2 2 407.481 0.717 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)C2)CC1 ZINC000672427597 1080601998 /nfs/dbraw/zinc/60/19/98/1080601998.db2.gz QJMDTYBIIATXSH-ZBFHGGJFSA-N 2 2 407.481 0.717 20 0 HCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000672442223 1080603996 /nfs/dbraw/zinc/60/39/96/1080603996.db2.gz JZJHWBMPOQACKI-GOSISDBHSA-N 2 2 410.559 0.315 20 0 HCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000672442224 1080604041 /nfs/dbraw/zinc/60/40/41/1080604041.db2.gz JZJHWBMPOQACKI-SFHVURJKSA-N 2 2 410.559 0.315 20 0 HCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000672442390 1080604834 /nfs/dbraw/zinc/60/48/34/1080604834.db2.gz NWUWXYBIMGXVLL-INIZCTEOSA-N 2 2 403.527 0.782 20 0 HCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000672442391 1080605014 /nfs/dbraw/zinc/60/50/14/1080605014.db2.gz NWUWXYBIMGXVLL-MRXNPFEDSA-N 2 2 403.527 0.782 20 0 HCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672442786 1080604902 /nfs/dbraw/zinc/60/49/02/1080604902.db2.gz HIPDPPCBMZCDJU-KRWDZBQOSA-N 3 2 423.602 0.277 20 0 HCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672442786 1080604899 /nfs/dbraw/zinc/60/48/99/1080604899.db2.gz HIPDPPCBMZCDJU-KRWDZBQOSA-N 3 2 423.602 0.277 20 0 HCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672442787 1080604986 /nfs/dbraw/zinc/60/49/86/1080604986.db2.gz HIPDPPCBMZCDJU-QGZVFWFLSA-N 3 2 423.602 0.277 20 0 HCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672442787 1080604982 /nfs/dbraw/zinc/60/49/82/1080604982.db2.gz HIPDPPCBMZCDJU-QGZVFWFLSA-N 3 2 423.602 0.277 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000672463954 1080634249 /nfs/dbraw/zinc/63/42/49/1080634249.db2.gz PFHDWOMYJIQCKI-JOCHJYFZSA-N 2 2 402.539 0.948 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000672463954 1080634245 /nfs/dbraw/zinc/63/42/45/1080634245.db2.gz PFHDWOMYJIQCKI-JOCHJYFZSA-N 2 2 402.539 0.948 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000672463955 1080634494 /nfs/dbraw/zinc/63/44/94/1080634494.db2.gz PFHDWOMYJIQCKI-QFIPXVFZSA-N 2 2 402.539 0.948 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000672463955 1080634489 /nfs/dbraw/zinc/63/44/89/1080634489.db2.gz PFHDWOMYJIQCKI-QFIPXVFZSA-N 2 2 402.539 0.948 20 0 HCADLP CN(CCN(CC[NH+]1CCCC1)C(=O)Cc1cncn1C)C(=O)Cc1c[nH+]cn1C ZINC000672467358 1080630661 /nfs/dbraw/zinc/63/06/61/1080630661.db2.gz JBURUVBOCUGVKQ-UHFFFAOYSA-N 2 2 415.542 0.322 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672501405 1080650140 /nfs/dbraw/zinc/65/01/40/1080650140.db2.gz URCGUUNVQZRUBD-MSOLQXFVSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672501405 1080650132 /nfs/dbraw/zinc/65/01/32/1080650132.db2.gz URCGUUNVQZRUBD-MSOLQXFVSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000672501405 1080650123 /nfs/dbraw/zinc/65/01/23/1080650123.db2.gz URCGUUNVQZRUBD-MSOLQXFVSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000672501405 1080650119 /nfs/dbraw/zinc/65/01/19/1080650119.db2.gz URCGUUNVQZRUBD-MSOLQXFVSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672501406 1080650747 /nfs/dbraw/zinc/65/07/47/1080650747.db2.gz URCGUUNVQZRUBD-QZTJIDSGSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000672501406 1080650743 /nfs/dbraw/zinc/65/07/43/1080650743.db2.gz URCGUUNVQZRUBD-QZTJIDSGSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000672501406 1080650731 /nfs/dbraw/zinc/65/07/31/1080650731.db2.gz URCGUUNVQZRUBD-QZTJIDSGSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000672501406 1080650726 /nfs/dbraw/zinc/65/07/26/1080650726.db2.gz URCGUUNVQZRUBD-QZTJIDSGSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672501407 1080650954 /nfs/dbraw/zinc/65/09/54/1080650954.db2.gz URCGUUNVQZRUBD-ROUUACIJSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672501407 1080650950 /nfs/dbraw/zinc/65/09/50/1080650950.db2.gz URCGUUNVQZRUBD-ROUUACIJSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000672501407 1080650946 /nfs/dbraw/zinc/65/09/46/1080650946.db2.gz URCGUUNVQZRUBD-ROUUACIJSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000672501407 1080650941 /nfs/dbraw/zinc/65/09/41/1080650941.db2.gz URCGUUNVQZRUBD-ROUUACIJSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672501408 1080650691 /nfs/dbraw/zinc/65/06/91/1080650691.db2.gz URCGUUNVQZRUBD-ZWKOTPCHSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000672501408 1080650684 /nfs/dbraw/zinc/65/06/84/1080650684.db2.gz URCGUUNVQZRUBD-ZWKOTPCHSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000672501408 1080650674 /nfs/dbraw/zinc/65/06/74/1080650674.db2.gz URCGUUNVQZRUBD-ZWKOTPCHSA-N 2 2 424.586 0.752 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000672501408 1080650670 /nfs/dbraw/zinc/65/06/70/1080650670.db2.gz URCGUUNVQZRUBD-ZWKOTPCHSA-N 2 2 424.586 0.752 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000672513082 1080657434 /nfs/dbraw/zinc/65/74/34/1080657434.db2.gz GMWKYFHDZLHYKT-IBGZPJMESA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000672513082 1080657426 /nfs/dbraw/zinc/65/74/26/1080657426.db2.gz GMWKYFHDZLHYKT-IBGZPJMESA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000672513083 1080657276 /nfs/dbraw/zinc/65/72/76/1080657276.db2.gz GMWKYFHDZLHYKT-LJQANCHMSA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000672513083 1080657263 /nfs/dbraw/zinc/65/72/63/1080657263.db2.gz GMWKYFHDZLHYKT-LJQANCHMSA-N 2 2 415.538 0.348 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000672513381 1080656128 /nfs/dbraw/zinc/65/61/28/1080656128.db2.gz UYASMBKKJGPSDQ-KRWDZBQOSA-N 2 2 404.515 0.106 20 0 HCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000672513382 1080656060 /nfs/dbraw/zinc/65/60/60/1080656060.db2.gz UYASMBKKJGPSDQ-QGZVFWFLSA-N 2 2 404.515 0.106 20 0 HCADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000672526986 1080665658 /nfs/dbraw/zinc/66/56/58/1080665658.db2.gz IAUQJDDQSNPJBX-MSOLQXFVSA-N 2 2 412.575 0.155 20 0 HCADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000672526986 1080665654 /nfs/dbraw/zinc/66/56/54/1080665654.db2.gz IAUQJDDQSNPJBX-MSOLQXFVSA-N 2 2 412.575 0.155 20 0 HCADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000672526987 1080665837 /nfs/dbraw/zinc/66/58/37/1080665837.db2.gz IAUQJDDQSNPJBX-QZTJIDSGSA-N 2 2 412.575 0.155 20 0 HCADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000672526987 1080665829 /nfs/dbraw/zinc/66/58/29/1080665829.db2.gz IAUQJDDQSNPJBX-QZTJIDSGSA-N 2 2 412.575 0.155 20 0 HCADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000672526988 1080665557 /nfs/dbraw/zinc/66/55/57/1080665557.db2.gz IAUQJDDQSNPJBX-ROUUACIJSA-N 2 2 412.575 0.155 20 0 HCADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000672526988 1080665548 /nfs/dbraw/zinc/66/55/48/1080665548.db2.gz IAUQJDDQSNPJBX-ROUUACIJSA-N 2 2 412.575 0.155 20 0 HCADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000672526989 1080665801 /nfs/dbraw/zinc/66/58/01/1080665801.db2.gz IAUQJDDQSNPJBX-ZWKOTPCHSA-N 2 2 412.575 0.155 20 0 HCADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000672526989 1080665797 /nfs/dbraw/zinc/66/57/97/1080665797.db2.gz IAUQJDDQSNPJBX-ZWKOTPCHSA-N 2 2 412.575 0.155 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530144 1080667341 /nfs/dbraw/zinc/66/73/41/1080667341.db2.gz SHZVMEATPPTMHS-APWZRJJASA-N 2 2 413.522 0.193 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530144 1080667334 /nfs/dbraw/zinc/66/73/34/1080667334.db2.gz SHZVMEATPPTMHS-APWZRJJASA-N 2 2 413.522 0.193 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530145 1080667494 /nfs/dbraw/zinc/66/74/94/1080667494.db2.gz SHZVMEATPPTMHS-LPHOPBHVSA-N 2 2 413.522 0.193 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530145 1080667487 /nfs/dbraw/zinc/66/74/87/1080667487.db2.gz SHZVMEATPPTMHS-LPHOPBHVSA-N 2 2 413.522 0.193 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530146 1080667419 /nfs/dbraw/zinc/66/74/19/1080667419.db2.gz SHZVMEATPPTMHS-QFBILLFUSA-N 2 2 413.522 0.193 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530146 1080667417 /nfs/dbraw/zinc/66/74/17/1080667417.db2.gz SHZVMEATPPTMHS-QFBILLFUSA-N 2 2 413.522 0.193 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530147 1080667211 /nfs/dbraw/zinc/66/72/11/1080667211.db2.gz SHZVMEATPPTMHS-VQIMIIECSA-N 2 2 413.522 0.193 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000672530147 1080667206 /nfs/dbraw/zinc/66/72/06/1080667206.db2.gz SHZVMEATPPTMHS-VQIMIIECSA-N 2 2 413.522 0.193 20 0 HCADLP Cc1cc(CNC(=O)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000672542052 1080672980 /nfs/dbraw/zinc/67/29/80/1080672980.db2.gz ZKFKHESQGRCUFX-UHFFFAOYSA-N 2 2 404.559 0.989 20 0 HCADLP Cc1cc(CNC(=O)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000672542052 1080672965 /nfs/dbraw/zinc/67/29/65/1080672965.db2.gz ZKFKHESQGRCUFX-UHFFFAOYSA-N 2 2 404.559 0.989 20 0 HCADLP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672542930 1080673512 /nfs/dbraw/zinc/67/35/12/1080673512.db2.gz XCTDHRUDJCLHGO-FQEVSTJZSA-N 3 2 407.603 0.852 20 0 HCADLP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672542930 1080673506 /nfs/dbraw/zinc/67/35/06/1080673506.db2.gz XCTDHRUDJCLHGO-FQEVSTJZSA-N 3 2 407.603 0.852 20 0 HCADLP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672542931 1080673188 /nfs/dbraw/zinc/67/31/88/1080673188.db2.gz XCTDHRUDJCLHGO-HXUWFJFHSA-N 3 2 407.603 0.852 20 0 HCADLP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672542931 1080673178 /nfs/dbraw/zinc/67/31/78/1080673178.db2.gz XCTDHRUDJCLHGO-HXUWFJFHSA-N 3 2 407.603 0.852 20 0 HCADLP CCOc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000672543887 1080675146 /nfs/dbraw/zinc/67/51/46/1080675146.db2.gz AFGNQKKLOOONSS-KRWDZBQOSA-N 2 2 418.538 0.995 20 0 HCADLP CCOc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000672543887 1080675136 /nfs/dbraw/zinc/67/51/36/1080675136.db2.gz AFGNQKKLOOONSS-KRWDZBQOSA-N 2 2 418.538 0.995 20 0 HCADLP CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000672543888 1080675024 /nfs/dbraw/zinc/67/50/24/1080675024.db2.gz AFGNQKKLOOONSS-QGZVFWFLSA-N 2 2 418.538 0.995 20 0 HCADLP CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000672543888 1080675005 /nfs/dbraw/zinc/67/50/05/1080675005.db2.gz AFGNQKKLOOONSS-QGZVFWFLSA-N 2 2 418.538 0.995 20 0 HCADLP CN(C(=O)C(=O)NCc1nn(C)c2ccccc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672547902 1080681645 /nfs/dbraw/zinc/68/16/45/1080681645.db2.gz ZKVKYJMOMZCVJK-KRWDZBQOSA-N 2 2 412.538 0.816 20 0 HCADLP CN(C(=O)C(=O)NCc1nn(C)c2ccccc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672547902 1080681640 /nfs/dbraw/zinc/68/16/40/1080681640.db2.gz ZKVKYJMOMZCVJK-KRWDZBQOSA-N 2 2 412.538 0.816 20 0 HCADLP CN(C(=O)C(=O)NCc1nn(C)c2ccccc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672547903 1080681419 /nfs/dbraw/zinc/68/14/19/1080681419.db2.gz ZKVKYJMOMZCVJK-QGZVFWFLSA-N 2 2 412.538 0.816 20 0 HCADLP CN(C(=O)C(=O)NCc1nn(C)c2ccccc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672547903 1080681408 /nfs/dbraw/zinc/68/14/08/1080681408.db2.gz ZKVKYJMOMZCVJK-QGZVFWFLSA-N 2 2 412.538 0.816 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nn(C)c2ccccc12 ZINC000672548102 1080681544 /nfs/dbraw/zinc/68/15/44/1080681544.db2.gz OHXUQLTYYKSDTC-UHFFFAOYSA-N 2 2 400.527 0.674 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nn(C)c2ccccc12 ZINC000672548102 1080681535 /nfs/dbraw/zinc/68/15/35/1080681535.db2.gz OHXUQLTYYKSDTC-UHFFFAOYSA-N 2 2 400.527 0.674 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)C2)CC1 ZINC000672551402 1080683126 /nfs/dbraw/zinc/68/31/26/1080683126.db2.gz YTFNBDPCSJLTQF-KRWDZBQOSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)C2)CC1 ZINC000672551402 1080683121 /nfs/dbraw/zinc/68/31/21/1080683121.db2.gz YTFNBDPCSJLTQF-KRWDZBQOSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)C2)CC1 ZINC000672551403 1080682953 /nfs/dbraw/zinc/68/29/53/1080682953.db2.gz YTFNBDPCSJLTQF-QGZVFWFLSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(-n4cncn4)c3)C2)CC1 ZINC000672551403 1080682948 /nfs/dbraw/zinc/68/29/48/1080682948.db2.gz YTFNBDPCSJLTQF-QGZVFWFLSA-N 2 2 411.510 0.168 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000672588056 1080695808 /nfs/dbraw/zinc/69/58/08/1080695808.db2.gz AVSDBJGNHYALIO-AZUAARDMSA-N 2 2 402.539 0.946 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588056 1080695804 /nfs/dbraw/zinc/69/58/04/1080695804.db2.gz AVSDBJGNHYALIO-AZUAARDMSA-N 2 2 402.539 0.946 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000672588057 1080695691 /nfs/dbraw/zinc/69/56/91/1080695691.db2.gz AVSDBJGNHYALIO-ICSRJNTNSA-N 2 2 402.539 0.946 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588057 1080695687 /nfs/dbraw/zinc/69/56/87/1080695687.db2.gz AVSDBJGNHYALIO-ICSRJNTNSA-N 2 2 402.539 0.946 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000672588058 1080695962 /nfs/dbraw/zinc/69/59/62/1080695962.db2.gz AVSDBJGNHYALIO-QUCCMNQESA-N 2 2 402.539 0.946 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588058 1080695958 /nfs/dbraw/zinc/69/59/58/1080695958.db2.gz AVSDBJGNHYALIO-QUCCMNQESA-N 2 2 402.539 0.946 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000672588059 1080695730 /nfs/dbraw/zinc/69/57/30/1080695730.db2.gz AVSDBJGNHYALIO-UYAOXDASSA-N 2 2 402.539 0.946 20 0 HCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000672588059 1080695724 /nfs/dbraw/zinc/69/57/24/1080695724.db2.gz AVSDBJGNHYALIO-UYAOXDASSA-N 2 2 402.539 0.946 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588194 1080694817 /nfs/dbraw/zinc/69/48/17/1080694817.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588194 1080694807 /nfs/dbraw/zinc/69/48/07/1080694807.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588194 1080694803 /nfs/dbraw/zinc/69/48/03/1080694803.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588194 1080694797 /nfs/dbraw/zinc/69/47/97/1080694797.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588196 1080695787 /nfs/dbraw/zinc/69/57/87/1080695787.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588196 1080695785 /nfs/dbraw/zinc/69/57/85/1080695785.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588196 1080695780 /nfs/dbraw/zinc/69/57/80/1080695780.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588196 1080695777 /nfs/dbraw/zinc/69/57/77/1080695777.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588197 1080695944 /nfs/dbraw/zinc/69/59/44/1080695944.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 3 2 415.582 0.908 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588197 1080695940 /nfs/dbraw/zinc/69/59/40/1080695940.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 3 2 415.582 0.908 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588197 1080695935 /nfs/dbraw/zinc/69/59/35/1080695935.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 3 2 415.582 0.908 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588197 1080695931 /nfs/dbraw/zinc/69/59/31/1080695931.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 3 2 415.582 0.908 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000672588199 1080695902 /nfs/dbraw/zinc/69/59/02/1080695902.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588199 1080695900 /nfs/dbraw/zinc/69/59/00/1080695900.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588199 1080695897 /nfs/dbraw/zinc/69/58/97/1080695897.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 3 2 415.582 0.908 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)Cc1ccccc1 ZINC000672588199 1080695894 /nfs/dbraw/zinc/69/58/94/1080695894.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 3 2 415.582 0.908 20 0 HCADLP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1F ZINC000672594685 1080698203 /nfs/dbraw/zinc/69/82/03/1080698203.db2.gz FTHNUSYAGARGRV-GOSISDBHSA-N 2 2 406.502 0.827 20 0 HCADLP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1F ZINC000672594686 1080698156 /nfs/dbraw/zinc/69/81/56/1080698156.db2.gz FTHNUSYAGARGRV-SFHVURJKSA-N 2 2 406.502 0.827 20 0 HCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672598362 1080702547 /nfs/dbraw/zinc/70/25/47/1080702547.db2.gz ZIISLZDVOVGWML-MOPGFXCFSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672598363 1080702785 /nfs/dbraw/zinc/70/27/85/1080702785.db2.gz ZIISLZDVOVGWML-OALUTQOASA-N 2 2 401.511 0.490 20 0 HCADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672598364 1080702657 /nfs/dbraw/zinc/70/26/57/1080702657.db2.gz ZIISLZDVOVGWML-RBUKOAKNSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672598365 1080702613 /nfs/dbraw/zinc/70/26/13/1080702613.db2.gz ZIISLZDVOVGWML-RTBURBONSA-N 2 2 401.511 0.490 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672617966 1080710222 /nfs/dbraw/zinc/71/02/22/1080710222.db2.gz PBOOASKBIVVTOT-AOIWGVFYSA-N 2 2 421.586 0.377 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672617966 1080710216 /nfs/dbraw/zinc/71/02/16/1080710216.db2.gz PBOOASKBIVVTOT-AOIWGVFYSA-N 2 2 421.586 0.377 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672617967 1080710433 /nfs/dbraw/zinc/71/04/33/1080710433.db2.gz PBOOASKBIVVTOT-LMMKCTJWSA-N 2 2 421.586 0.377 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672617967 1080710426 /nfs/dbraw/zinc/71/04/26/1080710426.db2.gz PBOOASKBIVVTOT-LMMKCTJWSA-N 2 2 421.586 0.377 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672617968 1080710165 /nfs/dbraw/zinc/71/01/65/1080710165.db2.gz PBOOASKBIVVTOT-LNLFQRSKSA-N 2 2 421.586 0.377 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672617968 1080710152 /nfs/dbraw/zinc/71/01/52/1080710152.db2.gz PBOOASKBIVVTOT-LNLFQRSKSA-N 2 2 421.586 0.377 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672617969 1080710298 /nfs/dbraw/zinc/71/02/98/1080710298.db2.gz PBOOASKBIVVTOT-SCTDSRPQSA-N 2 2 421.586 0.377 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672617969 1080710285 /nfs/dbraw/zinc/71/02/85/1080710285.db2.gz PBOOASKBIVVTOT-SCTDSRPQSA-N 2 2 421.586 0.377 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672618656 1080711065 /nfs/dbraw/zinc/71/10/65/1080711065.db2.gz JQGHBUMCHMOVNZ-BBWFWOEESA-N 2 2 407.559 0.034 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672618656 1080711062 /nfs/dbraw/zinc/71/10/62/1080711062.db2.gz JQGHBUMCHMOVNZ-BBWFWOEESA-N 2 2 407.559 0.034 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672618657 1080710896 /nfs/dbraw/zinc/71/08/96/1080710896.db2.gz JQGHBUMCHMOVNZ-IKGGRYGDSA-N 2 2 407.559 0.034 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672618657 1080710885 /nfs/dbraw/zinc/71/08/85/1080710885.db2.gz JQGHBUMCHMOVNZ-IKGGRYGDSA-N 2 2 407.559 0.034 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672618658 1080711123 /nfs/dbraw/zinc/71/11/23/1080711123.db2.gz JQGHBUMCHMOVNZ-ULQDDVLXSA-N 2 2 407.559 0.034 20 0 HCADLP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672618658 1080711117 /nfs/dbraw/zinc/71/11/17/1080711117.db2.gz JQGHBUMCHMOVNZ-ULQDDVLXSA-N 2 2 407.559 0.034 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672618659 1080711007 /nfs/dbraw/zinc/71/10/07/1080711007.db2.gz JQGHBUMCHMOVNZ-ZACQAIPSSA-N 2 2 407.559 0.034 20 0 HCADLP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672618659 1080711002 /nfs/dbraw/zinc/71/10/02/1080711002.db2.gz JQGHBUMCHMOVNZ-ZACQAIPSSA-N 2 2 407.559 0.034 20 0 HCADLP COCCN(Cc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637171 1080715218 /nfs/dbraw/zinc/71/52/18/1080715218.db2.gz ABZZHGNUGQIDNY-GOSISDBHSA-N 2 2 403.527 0.341 20 0 HCADLP COCCN(Cc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637171 1080715212 /nfs/dbraw/zinc/71/52/12/1080715212.db2.gz ABZZHGNUGQIDNY-GOSISDBHSA-N 2 2 403.527 0.341 20 0 HCADLP COCCN(Cc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637172 1080715054 /nfs/dbraw/zinc/71/50/54/1080715054.db2.gz ABZZHGNUGQIDNY-SFHVURJKSA-N 2 2 403.527 0.341 20 0 HCADLP COCCN(Cc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637172 1080715048 /nfs/dbraw/zinc/71/50/48/1080715048.db2.gz ABZZHGNUGQIDNY-SFHVURJKSA-N 2 2 403.527 0.341 20 0 HCADLP CN(C)c1cccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637273 1080714220 /nfs/dbraw/zinc/71/42/20/1080714220.db2.gz CRPBLYMHDOYIRW-GOSISDBHSA-N 2 2 401.555 0.996 20 0 HCADLP CN(C)c1cccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637273 1080714211 /nfs/dbraw/zinc/71/42/11/1080714211.db2.gz CRPBLYMHDOYIRW-GOSISDBHSA-N 2 2 401.555 0.996 20 0 HCADLP CN(C)c1cccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637274 1080714302 /nfs/dbraw/zinc/71/43/02/1080714302.db2.gz CRPBLYMHDOYIRW-SFHVURJKSA-N 2 2 401.555 0.996 20 0 HCADLP CN(C)c1cccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637274 1080714296 /nfs/dbraw/zinc/71/42/96/1080714296.db2.gz CRPBLYMHDOYIRW-SFHVURJKSA-N 2 2 401.555 0.996 20 0 HCADLP Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672637297 1080714261 /nfs/dbraw/zinc/71/42/61/1080714261.db2.gz DLHACPKEUWFPFF-IBGZPJMESA-N 2 2 413.566 0.928 20 0 HCADLP Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672637297 1080714255 /nfs/dbraw/zinc/71/42/55/1080714255.db2.gz DLHACPKEUWFPFF-IBGZPJMESA-N 2 2 413.566 0.928 20 0 HCADLP Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672637298 1080714904 /nfs/dbraw/zinc/71/49/04/1080714904.db2.gz DLHACPKEUWFPFF-LJQANCHMSA-N 2 2 413.566 0.928 20 0 HCADLP Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672637298 1080714897 /nfs/dbraw/zinc/71/48/97/1080714897.db2.gz DLHACPKEUWFPFF-LJQANCHMSA-N 2 2 413.566 0.928 20 0 HCADLP Cc1ccc(CN(CCO)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672637301 1080715084 /nfs/dbraw/zinc/71/50/84/1080715084.db2.gz DLQAZFXGAQRTKA-IBGZPJMESA-N 2 2 402.539 0.601 20 0 HCADLP Cc1ccc(CN(CCO)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672637301 1080715079 /nfs/dbraw/zinc/71/50/79/1080715079.db2.gz DLQAZFXGAQRTKA-IBGZPJMESA-N 2 2 402.539 0.601 20 0 HCADLP Cc1ccc(CN(CCO)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672637302 1080715187 /nfs/dbraw/zinc/71/51/87/1080715187.db2.gz DLQAZFXGAQRTKA-LJQANCHMSA-N 2 2 402.539 0.601 20 0 HCADLP Cc1ccc(CN(CCO)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672637302 1080715181 /nfs/dbraw/zinc/71/51/81/1080715181.db2.gz DLQAZFXGAQRTKA-LJQANCHMSA-N 2 2 402.539 0.601 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2)CC1 ZINC000672637305 1080715114 /nfs/dbraw/zinc/71/51/14/1080715114.db2.gz DNBAROHBBOLGDM-IBGZPJMESA-N 2 2 414.554 0.011 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2)CC1 ZINC000672637305 1080715110 /nfs/dbraw/zinc/71/51/10/1080715110.db2.gz DNBAROHBBOLGDM-IBGZPJMESA-N 2 2 414.554 0.011 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2)CC1 ZINC000672637306 1080714944 /nfs/dbraw/zinc/71/49/44/1080714944.db2.gz DNBAROHBBOLGDM-LJQANCHMSA-N 2 2 414.554 0.011 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C2)CC1 ZINC000672637306 1080714938 /nfs/dbraw/zinc/71/49/38/1080714938.db2.gz DNBAROHBBOLGDM-LJQANCHMSA-N 2 2 414.554 0.011 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cc(COC(C)(C)C)on3)C2)CC1 ZINC000672637365 1080715010 /nfs/dbraw/zinc/71/50/10/1080715010.db2.gz FVGGOEUTIMUCSQ-HNNXBMFYSA-N 2 2 421.542 0.891 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cc(COC(C)(C)C)on3)C2)CC1 ZINC000672637365 1080715003 /nfs/dbraw/zinc/71/50/03/1080715003.db2.gz FVGGOEUTIMUCSQ-HNNXBMFYSA-N 2 2 421.542 0.891 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cc(COC(C)(C)C)on3)C2)CC1 ZINC000672637366 1080715148 /nfs/dbraw/zinc/71/51/48/1080715148.db2.gz FVGGOEUTIMUCSQ-OAHLLOKOSA-N 2 2 421.542 0.891 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cc(COC(C)(C)C)on3)C2)CC1 ZINC000672637366 1080715142 /nfs/dbraw/zinc/71/51/42/1080715142.db2.gz FVGGOEUTIMUCSQ-OAHLLOKOSA-N 2 2 421.542 0.891 20 0 HCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637385 1080713731 /nfs/dbraw/zinc/71/37/31/1080713731.db2.gz GIDLGLGQIWQRAQ-MOPGFXCFSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637385 1080713725 /nfs/dbraw/zinc/71/37/25/1080713725.db2.gz GIDLGLGQIWQRAQ-MOPGFXCFSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637386 1080713910 /nfs/dbraw/zinc/71/39/10/1080713910.db2.gz GIDLGLGQIWQRAQ-OALUTQOASA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637386 1080713904 /nfs/dbraw/zinc/71/39/04/1080713904.db2.gz GIDLGLGQIWQRAQ-OALUTQOASA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637387 1080714528 /nfs/dbraw/zinc/71/45/28/1080714528.db2.gz GIDLGLGQIWQRAQ-RBUKOAKNSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637387 1080714519 /nfs/dbraw/zinc/71/45/19/1080714519.db2.gz GIDLGLGQIWQRAQ-RBUKOAKNSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637388 1080713840 /nfs/dbraw/zinc/71/38/40/1080713840.db2.gz GIDLGLGQIWQRAQ-RTBURBONSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637388 1080713833 /nfs/dbraw/zinc/71/38/33/1080713833.db2.gz GIDLGLGQIWQRAQ-RTBURBONSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714367 /nfs/dbraw/zinc/71/43/67/1080714367.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714355 /nfs/dbraw/zinc/71/43/55/1080714355.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714349 /nfs/dbraw/zinc/71/43/49/1080714349.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714344 /nfs/dbraw/zinc/71/43/44/1080714344.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714490 /nfs/dbraw/zinc/71/44/90/1080714490.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714482 /nfs/dbraw/zinc/71/44/82/1080714482.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714477 /nfs/dbraw/zinc/71/44/77/1080714477.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714470 /nfs/dbraw/zinc/71/44/70/1080714470.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080714050 /nfs/dbraw/zinc/71/40/50/1080714050.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080714043 /nfs/dbraw/zinc/71/40/43/1080714043.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080714037 /nfs/dbraw/zinc/71/40/37/1080714037.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080714029 /nfs/dbraw/zinc/71/40/29/1080714029.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714175 /nfs/dbraw/zinc/71/41/75/1080714175.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714167 /nfs/dbraw/zinc/71/41/67/1080714167.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714159 /nfs/dbraw/zinc/71/41/59/1080714159.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714155 /nfs/dbraw/zinc/71/41/55/1080714155.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 3 2 417.598 0.746 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCCO)Cc3ccccc3)C2)CC1 ZINC000672637457 1080714410 /nfs/dbraw/zinc/71/44/10/1080714410.db2.gz HSZVRNGXJPIZIV-IBGZPJMESA-N 2 2 402.539 0.682 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCCO)Cc3ccccc3)C2)CC1 ZINC000672637457 1080714404 /nfs/dbraw/zinc/71/44/04/1080714404.db2.gz HSZVRNGXJPIZIV-IBGZPJMESA-N 2 2 402.539 0.682 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCCO)Cc3ccccc3)C2)CC1 ZINC000672637458 1080713786 /nfs/dbraw/zinc/71/37/86/1080713786.db2.gz HSZVRNGXJPIZIV-LJQANCHMSA-N 2 2 402.539 0.682 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCCO)Cc3ccccc3)C2)CC1 ZINC000672637458 1080713778 /nfs/dbraw/zinc/71/37/78/1080713778.db2.gz HSZVRNGXJPIZIV-LJQANCHMSA-N 2 2 402.539 0.682 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000672637513 1080713965 /nfs/dbraw/zinc/71/39/65/1080713965.db2.gz IVKIQCKTCJSRBN-KRWDZBQOSA-N 2 2 403.527 0.209 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000672637513 1080713957 /nfs/dbraw/zinc/71/39/57/1080713957.db2.gz IVKIQCKTCJSRBN-KRWDZBQOSA-N 2 2 403.527 0.209 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000672637514 1080714093 /nfs/dbraw/zinc/71/40/93/1080714093.db2.gz IVKIQCKTCJSRBN-QGZVFWFLSA-N 2 2 403.527 0.209 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000672637514 1080714083 /nfs/dbraw/zinc/71/40/83/1080714083.db2.gz IVKIQCKTCJSRBN-QGZVFWFLSA-N 2 2 403.527 0.209 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637603 1080715782 /nfs/dbraw/zinc/71/57/82/1080715782.db2.gz KOVIMIBOCCIVLW-CVEARBPZSA-N 2 2 418.517 0.200 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637603 1080715775 /nfs/dbraw/zinc/71/57/75/1080715775.db2.gz KOVIMIBOCCIVLW-CVEARBPZSA-N 2 2 418.517 0.200 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637604 1080715941 /nfs/dbraw/zinc/71/59/41/1080715941.db2.gz KOVIMIBOCCIVLW-HOTGVXAUSA-N 2 2 418.517 0.200 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637604 1080715934 /nfs/dbraw/zinc/71/59/34/1080715934.db2.gz KOVIMIBOCCIVLW-HOTGVXAUSA-N 2 2 418.517 0.200 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637605 1080715555 /nfs/dbraw/zinc/71/55/55/1080715555.db2.gz KOVIMIBOCCIVLW-HZPDHXFCSA-N 2 2 418.517 0.200 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637605 1080715548 /nfs/dbraw/zinc/71/55/48/1080715548.db2.gz KOVIMIBOCCIVLW-HZPDHXFCSA-N 2 2 418.517 0.200 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637606 1080715671 /nfs/dbraw/zinc/71/56/71/1080715671.db2.gz KOVIMIBOCCIVLW-JKSUJKDBSA-N 2 2 418.517 0.200 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637606 1080715663 /nfs/dbraw/zinc/71/56/63/1080715663.db2.gz KOVIMIBOCCIVLW-JKSUJKDBSA-N 2 2 418.517 0.200 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)C2)CC1 ZINC000672637645 1080715989 /nfs/dbraw/zinc/71/59/89/1080715989.db2.gz LPALWHGNCPPOTR-GOSISDBHSA-N 2 2 419.595 0.677 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)C2)CC1 ZINC000672637645 1080715980 /nfs/dbraw/zinc/71/59/80/1080715980.db2.gz LPALWHGNCPPOTR-GOSISDBHSA-N 2 2 419.595 0.677 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)C2)CC1 ZINC000672637646 1080715826 /nfs/dbraw/zinc/71/58/26/1080715826.db2.gz LPALWHGNCPPOTR-SFHVURJKSA-N 2 2 419.595 0.677 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)C2)CC1 ZINC000672637646 1080715822 /nfs/dbraw/zinc/71/58/22/1080715822.db2.gz LPALWHGNCPPOTR-SFHVURJKSA-N 2 2 419.595 0.677 20 0 HCADLP COCCN(Cc1scnc1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637647 1080715636 /nfs/dbraw/zinc/71/56/36/1080715636.db2.gz LQELFWKLVFPMDT-INIZCTEOSA-N 2 2 423.583 0.711 20 0 HCADLP COCCN(Cc1scnc1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637647 1080715629 /nfs/dbraw/zinc/71/56/29/1080715629.db2.gz LQELFWKLVFPMDT-INIZCTEOSA-N 2 2 423.583 0.711 20 0 HCADLP COCCN(Cc1scnc1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637648 1080716112 /nfs/dbraw/zinc/71/61/12/1080716112.db2.gz LQELFWKLVFPMDT-MRXNPFEDSA-N 2 2 423.583 0.711 20 0 HCADLP COCCN(Cc1scnc1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637648 1080716106 /nfs/dbraw/zinc/71/61/06/1080716106.db2.gz LQELFWKLVFPMDT-MRXNPFEDSA-N 2 2 423.583 0.711 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)C2)CC1 ZINC000672637659 1080715597 /nfs/dbraw/zinc/71/55/97/1080715597.db2.gz LUFIPIDTGWENQS-INIZCTEOSA-N 2 2 420.583 0.072 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)C2)CC1 ZINC000672637659 1080715590 /nfs/dbraw/zinc/71/55/90/1080715590.db2.gz LUFIPIDTGWENQS-INIZCTEOSA-N 2 2 420.583 0.072 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)C2)CC1 ZINC000672637660 1080715893 /nfs/dbraw/zinc/71/58/93/1080715893.db2.gz LUFIPIDTGWENQS-MRXNPFEDSA-N 2 2 420.583 0.072 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)C2)CC1 ZINC000672637660 1080715885 /nfs/dbraw/zinc/71/58/85/1080715885.db2.gz LUFIPIDTGWENQS-MRXNPFEDSA-N 2 2 420.583 0.072 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cccs4)CC3)C2)CC1 ZINC000672637669 1080719276 /nfs/dbraw/zinc/71/92/76/1080719276.db2.gz MBJQJQZPMZGUAJ-INIZCTEOSA-N 2 2 405.568 0.681 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cccs4)CC3)C2)CC1 ZINC000672637669 1080719269 /nfs/dbraw/zinc/71/92/69/1080719269.db2.gz MBJQJQZPMZGUAJ-INIZCTEOSA-N 2 2 405.568 0.681 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccs4)CC3)C2)CC1 ZINC000672637670 1080719124 /nfs/dbraw/zinc/71/91/24/1080719124.db2.gz MBJQJQZPMZGUAJ-MRXNPFEDSA-N 2 2 405.568 0.681 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccs4)CC3)C2)CC1 ZINC000672637670 1080719103 /nfs/dbraw/zinc/71/91/03/1080719103.db2.gz MBJQJQZPMZGUAJ-MRXNPFEDSA-N 2 2 405.568 0.681 20 0 HCADLP COCCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637753 1080719620 /nfs/dbraw/zinc/71/96/20/1080719620.db2.gz OBZZYXSSPZXUQH-KRWDZBQOSA-N 2 2 410.559 0.315 20 0 HCADLP COCCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637753 1080719605 /nfs/dbraw/zinc/71/96/05/1080719605.db2.gz OBZZYXSSPZXUQH-KRWDZBQOSA-N 2 2 410.559 0.315 20 0 HCADLP COCCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637754 1080719839 /nfs/dbraw/zinc/71/98/39/1080719839.db2.gz OBZZYXSSPZXUQH-QGZVFWFLSA-N 2 2 410.559 0.315 20 0 HCADLP COCCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637754 1080719823 /nfs/dbraw/zinc/71/98/23/1080719823.db2.gz OBZZYXSSPZXUQH-QGZVFWFLSA-N 2 2 410.559 0.315 20 0 HCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1CCOC ZINC000672637792 1080720497 /nfs/dbraw/zinc/72/04/97/1080720497.db2.gz CAQOVBNCBHTAFX-AZUAARDMSA-N 2 2 423.602 0.230 20 0 HCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1CCOC ZINC000672637792 1080720478 /nfs/dbraw/zinc/72/04/78/1080720478.db2.gz CAQOVBNCBHTAFX-AZUAARDMSA-N 2 2 423.602 0.230 20 0 HCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1CCOC ZINC000672637793 1080721527 /nfs/dbraw/zinc/72/15/27/1080721527.db2.gz CAQOVBNCBHTAFX-ICSRJNTNSA-N 2 2 423.602 0.230 20 0 HCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1CCOC ZINC000672637793 1080721517 /nfs/dbraw/zinc/72/15/17/1080721517.db2.gz CAQOVBNCBHTAFX-ICSRJNTNSA-N 2 2 423.602 0.230 20 0 HCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1CCOC ZINC000672637794 1080721380 /nfs/dbraw/zinc/72/13/80/1080721380.db2.gz CAQOVBNCBHTAFX-QUCCMNQESA-N 2 2 423.602 0.230 20 0 HCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1CCOC ZINC000672637794 1080721364 /nfs/dbraw/zinc/72/13/64/1080721364.db2.gz CAQOVBNCBHTAFX-QUCCMNQESA-N 2 2 423.602 0.230 20 0 HCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1CCOC ZINC000672637795 1080720860 /nfs/dbraw/zinc/72/08/60/1080720860.db2.gz CAQOVBNCBHTAFX-UYAOXDASSA-N 2 2 423.602 0.230 20 0 HCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1CCOC ZINC000672637795 1080720833 /nfs/dbraw/zinc/72/08/33/1080720833.db2.gz CAQOVBNCBHTAFX-UYAOXDASSA-N 2 2 423.602 0.230 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC(=O)Nc3ccccc3)C2)CC1 ZINC000672637905 1080719344 /nfs/dbraw/zinc/71/93/44/1080719344.db2.gz AJDKAYBTUUZIFQ-KRWDZBQOSA-N 2 2 401.511 0.416 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC(=O)Nc3ccccc3)C2)CC1 ZINC000672637905 1080719331 /nfs/dbraw/zinc/71/93/31/1080719331.db2.gz AJDKAYBTUUZIFQ-KRWDZBQOSA-N 2 2 401.511 0.416 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC(=O)Nc3ccccc3)C2)CC1 ZINC000672637909 1080720002 /nfs/dbraw/zinc/72/00/02/1080720002.db2.gz AJDKAYBTUUZIFQ-QGZVFWFLSA-N 2 2 401.511 0.416 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC(=O)Nc3ccccc3)C2)CC1 ZINC000672637909 1080719985 /nfs/dbraw/zinc/71/99/85/1080719985.db2.gz AJDKAYBTUUZIFQ-QGZVFWFLSA-N 2 2 401.511 0.416 20 0 HCADLP CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637924 1080719476 /nfs/dbraw/zinc/71/94/76/1080719476.db2.gz PNWKVJNREFJUOB-KRWDZBQOSA-N 2 2 416.522 0.701 20 0 HCADLP CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637924 1080719471 /nfs/dbraw/zinc/71/94/71/1080719471.db2.gz PNWKVJNREFJUOB-KRWDZBQOSA-N 2 2 416.522 0.701 20 0 HCADLP CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637925 1080719936 /nfs/dbraw/zinc/71/99/36/1080719936.db2.gz PNWKVJNREFJUOB-QGZVFWFLSA-N 2 2 416.522 0.701 20 0 HCADLP CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637925 1080719920 /nfs/dbraw/zinc/71/99/20/1080719920.db2.gz PNWKVJNREFJUOB-QGZVFWFLSA-N 2 2 416.522 0.701 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637930 1080719198 /nfs/dbraw/zinc/71/91/98/1080719198.db2.gz PQBGFMNQUSJVIZ-FXAWDEMLSA-N 2 2 416.522 0.577 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637930 1080719182 /nfs/dbraw/zinc/71/91/82/1080719182.db2.gz PQBGFMNQUSJVIZ-FXAWDEMLSA-N 2 2 416.522 0.577 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637937 1080719412 /nfs/dbraw/zinc/71/94/12/1080719412.db2.gz PQBGFMNQUSJVIZ-PXNSSMCTSA-N 2 2 416.522 0.577 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637937 1080719401 /nfs/dbraw/zinc/71/94/01/1080719401.db2.gz PQBGFMNQUSJVIZ-PXNSSMCTSA-N 2 2 416.522 0.577 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637938 1080719765 /nfs/dbraw/zinc/71/97/65/1080719765.db2.gz PQBGFMNQUSJVIZ-XLIONFOSSA-N 2 2 416.522 0.577 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637938 1080719750 /nfs/dbraw/zinc/71/97/50/1080719750.db2.gz PQBGFMNQUSJVIZ-XLIONFOSSA-N 2 2 416.522 0.577 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637939 1080718857 /nfs/dbraw/zinc/71/88/57/1080718857.db2.gz PQBGFMNQUSJVIZ-YLJYHZDGSA-N 2 2 416.522 0.577 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)C2)CC1 ZINC000672637939 1080718841 /nfs/dbraw/zinc/71/88/41/1080718841.db2.gz PQBGFMNQUSJVIZ-YLJYHZDGSA-N 2 2 416.522 0.577 20 0 HCADLP C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C[C@H](C)O2 ZINC000672637984 1080718323 /nfs/dbraw/zinc/71/83/23/1080718323.db2.gz BUOKDSIYMJNESP-BZDHPDOMSA-N 2 2 422.570 0.456 20 0 HCADLP C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C[C@H](C)O2 ZINC000672637984 1080718313 /nfs/dbraw/zinc/71/83/13/1080718313.db2.gz BUOKDSIYMJNESP-BZDHPDOMSA-N 2 2 422.570 0.456 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000672637986 1080718993 /nfs/dbraw/zinc/71/89/93/1080718993.db2.gz BUOKDSIYMJNESP-OZQHCQBDSA-N 2 2 422.570 0.456 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000672637986 1080718972 /nfs/dbraw/zinc/71/89/72/1080718972.db2.gz BUOKDSIYMJNESP-OZQHCQBDSA-N 2 2 422.570 0.456 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000672637987 1080719554 /nfs/dbraw/zinc/71/95/54/1080719554.db2.gz BUOKDSIYMJNESP-QSNWEANLSA-N 2 2 422.570 0.456 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000672637987 1080719540 /nfs/dbraw/zinc/71/95/40/1080719540.db2.gz BUOKDSIYMJNESP-QSNWEANLSA-N 2 2 422.570 0.456 20 0 HCADLP C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C[C@H](C)O2 ZINC000672637989 1080720081 /nfs/dbraw/zinc/72/00/81/1080720081.db2.gz BUOKDSIYMJNESP-WYADAEROSA-N 2 2 422.570 0.456 20 0 HCADLP C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C[C@H](C)O2 ZINC000672637989 1080720068 /nfs/dbraw/zinc/72/00/68/1080720068.db2.gz BUOKDSIYMJNESP-WYADAEROSA-N 2 2 422.570 0.456 20 0 HCADLP Cn1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C(F)(F)F)n1 ZINC000672638058 1080718928 /nfs/dbraw/zinc/71/89/28/1080718928.db2.gz DAMDRAMEWNNWHD-CYBMUJFWSA-N 2 2 416.448 0.340 20 0 HCADLP Cn1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C(F)(F)F)n1 ZINC000672638058 1080718910 /nfs/dbraw/zinc/71/89/10/1080718910.db2.gz DAMDRAMEWNNWHD-CYBMUJFWSA-N 2 2 416.448 0.340 20 0 HCADLP Cn1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C(F)(F)F)n1 ZINC000672638061 1080719689 /nfs/dbraw/zinc/71/96/89/1080719689.db2.gz DAMDRAMEWNNWHD-ZDUSSCGKSA-N 2 2 416.448 0.340 20 0 HCADLP Cn1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C(F)(F)F)n1 ZINC000672638061 1080719674 /nfs/dbraw/zinc/71/96/74/1080719674.db2.gz DAMDRAMEWNNWHD-ZDUSSCGKSA-N 2 2 416.448 0.340 20 0 HCADLP COC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638106 1080716539 /nfs/dbraw/zinc/71/65/39/1080716539.db2.gz KMCZVWDOUBOSAF-MOPGFXCFSA-N 2 2 402.539 0.645 20 0 HCADLP COC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638106 1080716527 /nfs/dbraw/zinc/71/65/27/1080716527.db2.gz KMCZVWDOUBOSAF-MOPGFXCFSA-N 2 2 402.539 0.645 20 0 HCADLP COC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638107 1080717003 /nfs/dbraw/zinc/71/70/03/1080717003.db2.gz KMCZVWDOUBOSAF-OALUTQOASA-N 2 2 402.539 0.645 20 0 HCADLP COC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638107 1080716997 /nfs/dbraw/zinc/71/69/97/1080716997.db2.gz KMCZVWDOUBOSAF-OALUTQOASA-N 2 2 402.539 0.645 20 0 HCADLP COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638108 1080716838 /nfs/dbraw/zinc/71/68/38/1080716838.db2.gz KMCZVWDOUBOSAF-RBUKOAKNSA-N 2 2 402.539 0.645 20 0 HCADLP COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638108 1080716832 /nfs/dbraw/zinc/71/68/32/1080716832.db2.gz KMCZVWDOUBOSAF-RBUKOAKNSA-N 2 2 402.539 0.645 20 0 HCADLP COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638109 1080717105 /nfs/dbraw/zinc/71/71/05/1080717105.db2.gz KMCZVWDOUBOSAF-RTBURBONSA-N 2 2 402.539 0.645 20 0 HCADLP COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638109 1080717102 /nfs/dbraw/zinc/71/71/02/1080717102.db2.gz KMCZVWDOUBOSAF-RTBURBONSA-N 2 2 402.539 0.645 20 0 HCADLP COc1ccccc1CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638114 1080717903 /nfs/dbraw/zinc/71/79/03/1080717903.db2.gz KTVZJGNPMZDKIK-GOSISDBHSA-N 2 2 402.539 0.981 20 0 HCADLP COc1ccccc1CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638114 1080717898 /nfs/dbraw/zinc/71/78/98/1080717898.db2.gz KTVZJGNPMZDKIK-GOSISDBHSA-N 2 2 402.539 0.981 20 0 HCADLP COc1ccccc1CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638115 1080718063 /nfs/dbraw/zinc/71/80/63/1080718063.db2.gz KTVZJGNPMZDKIK-SFHVURJKSA-N 2 2 402.539 0.981 20 0 HCADLP COc1ccccc1CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638115 1080718057 /nfs/dbraw/zinc/71/80/57/1080718057.db2.gz KTVZJGNPMZDKIK-SFHVURJKSA-N 2 2 402.539 0.981 20 0 HCADLP Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638136 1080717733 /nfs/dbraw/zinc/71/77/33/1080717733.db2.gz MPWSZXMGDMALJF-AEFFLSMTSA-N 2 2 402.543 0.096 20 0 HCADLP Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638136 1080717726 /nfs/dbraw/zinc/71/77/26/1080717726.db2.gz MPWSZXMGDMALJF-AEFFLSMTSA-N 2 2 402.543 0.096 20 0 HCADLP Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638137 1080717939 /nfs/dbraw/zinc/71/79/39/1080717939.db2.gz MPWSZXMGDMALJF-FUHWJXTLSA-N 2 2 402.543 0.096 20 0 HCADLP Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638137 1080717932 /nfs/dbraw/zinc/71/79/32/1080717932.db2.gz MPWSZXMGDMALJF-FUHWJXTLSA-N 2 2 402.543 0.096 20 0 HCADLP Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638138 1080717767 /nfs/dbraw/zinc/71/77/67/1080717767.db2.gz MPWSZXMGDMALJF-SJLPKXTDSA-N 2 2 402.543 0.096 20 0 HCADLP Cn1cc(C[C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638138 1080717762 /nfs/dbraw/zinc/71/77/62/1080717762.db2.gz MPWSZXMGDMALJF-SJLPKXTDSA-N 2 2 402.543 0.096 20 0 HCADLP Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638139 1080718365 /nfs/dbraw/zinc/71/83/65/1080718365.db2.gz MPWSZXMGDMALJF-WMZOPIPTSA-N 2 2 402.543 0.096 20 0 HCADLP Cn1cc(C[C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672638139 1080718354 /nfs/dbraw/zinc/71/83/54/1080718354.db2.gz MPWSZXMGDMALJF-WMZOPIPTSA-N 2 2 402.543 0.096 20 0 HCADLP CC(C)Oc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672638179 1080717660 /nfs/dbraw/zinc/71/76/60/1080717660.db2.gz AOUXYTTXHRTZCZ-KRWDZBQOSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672638179 1080717653 /nfs/dbraw/zinc/71/76/53/1080717653.db2.gz AOUXYTTXHRTZCZ-KRWDZBQOSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672638180 1080717866 /nfs/dbraw/zinc/71/78/66/1080717866.db2.gz AOUXYTTXHRTZCZ-QGZVFWFLSA-N 2 2 403.527 0.770 20 0 HCADLP CC(C)Oc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672638180 1080717861 /nfs/dbraw/zinc/71/78/61/1080717861.db2.gz AOUXYTTXHRTZCZ-QGZVFWFLSA-N 2 2 403.527 0.770 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638209 1080717797 /nfs/dbraw/zinc/71/77/97/1080717797.db2.gz BVHCHXGYUZFGLD-HRAATJIYSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638209 1080717793 /nfs/dbraw/zinc/71/77/93/1080717793.db2.gz BVHCHXGYUZFGLD-HRAATJIYSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638210 1080717832 /nfs/dbraw/zinc/71/78/32/1080717832.db2.gz BVHCHXGYUZFGLD-IERDGZPVSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638210 1080717826 /nfs/dbraw/zinc/71/78/26/1080717826.db2.gz BVHCHXGYUZFGLD-IERDGZPVSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638211 1080718253 /nfs/dbraw/zinc/71/82/53/1080718253.db2.gz BVHCHXGYUZFGLD-IIBYNOLFSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638211 1080718240 /nfs/dbraw/zinc/71/82/40/1080718240.db2.gz BVHCHXGYUZFGLD-IIBYNOLFSA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638212 1080717998 /nfs/dbraw/zinc/71/79/98/1080717998.db2.gz BVHCHXGYUZFGLD-KKSFZXQISA-N 2 2 408.543 0.068 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)C2)CC1 ZINC000672638212 1080717990 /nfs/dbraw/zinc/71/79/90/1080717990.db2.gz BVHCHXGYUZFGLD-KKSFZXQISA-N 2 2 408.543 0.068 20 0 HCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672638221 1080717566 /nfs/dbraw/zinc/71/75/66/1080717566.db2.gz QVYOSIAVKWDKOG-GOSISDBHSA-N 3 2 419.570 0.763 20 0 HCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672638221 1080717561 /nfs/dbraw/zinc/71/75/61/1080717561.db2.gz QVYOSIAVKWDKOG-GOSISDBHSA-N 3 2 419.570 0.763 20 0 HCADLP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638223 1080718204 /nfs/dbraw/zinc/71/82/04/1080718204.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638223 1080718196 /nfs/dbraw/zinc/71/81/96/1080718196.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638223 1080718188 /nfs/dbraw/zinc/71/81/88/1080718188.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638223 1080718177 /nfs/dbraw/zinc/71/81/77/1080718177.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 3 2 407.603 0.850 20 0 HCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672638224 1080718103 /nfs/dbraw/zinc/71/81/03/1080718103.db2.gz QVYOSIAVKWDKOG-SFHVURJKSA-N 3 2 419.570 0.763 20 0 HCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672638224 1080718095 /nfs/dbraw/zinc/71/80/95/1080718095.db2.gz QVYOSIAVKWDKOG-SFHVURJKSA-N 3 2 419.570 0.763 20 0 HCADLP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638226 1080717623 /nfs/dbraw/zinc/71/76/23/1080717623.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638226 1080717616 /nfs/dbraw/zinc/71/76/16/1080717616.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638226 1080717612 /nfs/dbraw/zinc/71/76/12/1080717612.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 3 2 407.603 0.850 20 0 HCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638226 1080717607 /nfs/dbraw/zinc/71/76/07/1080717607.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 3 2 407.603 0.850 20 0 HCADLP Cn1cc(-c2ccccc2CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672638235 1080717701 /nfs/dbraw/zinc/71/77/01/1080717701.db2.gz RGEAVYTYMZHYMS-IBGZPJMESA-N 2 2 424.549 0.988 20 0 HCADLP Cn1cc(-c2ccccc2CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672638235 1080717695 /nfs/dbraw/zinc/71/76/95/1080717695.db2.gz RGEAVYTYMZHYMS-IBGZPJMESA-N 2 2 424.549 0.988 20 0 HCADLP Cn1cc(-c2ccccc2CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672638237 1080718034 /nfs/dbraw/zinc/71/80/34/1080718034.db2.gz RGEAVYTYMZHYMS-LJQANCHMSA-N 2 2 424.549 0.988 20 0 HCADLP Cn1cc(-c2ccccc2CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672638237 1080718024 /nfs/dbraw/zinc/71/80/24/1080718024.db2.gz RGEAVYTYMZHYMS-LJQANCHMSA-N 2 2 424.549 0.988 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)C2)CC1 ZINC000672638278 1080716495 /nfs/dbraw/zinc/71/64/95/1080716495.db2.gz FGQVMGULQWGVSC-KRWDZBQOSA-N 2 2 402.543 0.899 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)C2)CC1 ZINC000672638278 1080716489 /nfs/dbraw/zinc/71/64/89/1080716489.db2.gz FGQVMGULQWGVSC-KRWDZBQOSA-N 2 2 402.543 0.899 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)C2)CC1 ZINC000672638282 1080716641 /nfs/dbraw/zinc/71/66/41/1080716641.db2.gz FGQVMGULQWGVSC-QGZVFWFLSA-N 2 2 402.543 0.899 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)C2)CC1 ZINC000672638282 1080716632 /nfs/dbraw/zinc/71/66/32/1080716632.db2.gz FGQVMGULQWGVSC-QGZVFWFLSA-N 2 2 402.543 0.899 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2)CC1 ZINC000672638341 1080716968 /nfs/dbraw/zinc/71/69/68/1080716968.db2.gz RVMXZOHAFPOZCV-GOSISDBHSA-N 2 2 403.527 0.077 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2)CC1 ZINC000672638341 1080716959 /nfs/dbraw/zinc/71/69/59/1080716959.db2.gz RVMXZOHAFPOZCV-GOSISDBHSA-N 2 2 403.527 0.077 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2)CC1 ZINC000672638355 1080717041 /nfs/dbraw/zinc/71/70/41/1080717041.db2.gz RVMXZOHAFPOZCV-SFHVURJKSA-N 2 2 403.527 0.077 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCCO)Cc3ccccn3)C2)CC1 ZINC000672638355 1080717031 /nfs/dbraw/zinc/71/70/31/1080717031.db2.gz RVMXZOHAFPOZCV-SFHVURJKSA-N 2 2 403.527 0.077 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC000672638443 1080715741 /nfs/dbraw/zinc/71/57/41/1080715741.db2.gz PUEURXDFAIWAEY-AZUAARDMSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC000672638443 1080715733 /nfs/dbraw/zinc/71/57/33/1080715733.db2.gz PUEURXDFAIWAEY-AZUAARDMSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccccc4)C3)C2)CC1 ZINC000672638444 1080717133 /nfs/dbraw/zinc/71/71/33/1080717133.db2.gz PUEURXDFAIWAEY-ICSRJNTNSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccccc4)C3)C2)CC1 ZINC000672638444 1080717128 /nfs/dbraw/zinc/71/71/28/1080717128.db2.gz PUEURXDFAIWAEY-ICSRJNTNSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccccc4)C3)C2)CC1 ZINC000672638445 1080716744 /nfs/dbraw/zinc/71/67/44/1080716744.db2.gz PUEURXDFAIWAEY-QUCCMNQESA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccccc4)C3)C2)CC1 ZINC000672638445 1080716732 /nfs/dbraw/zinc/71/67/32/1080716732.db2.gz PUEURXDFAIWAEY-QUCCMNQESA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC000672638448 1080716877 /nfs/dbraw/zinc/71/68/77/1080716877.db2.gz PUEURXDFAIWAEY-UYAOXDASSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC000672638448 1080716868 /nfs/dbraw/zinc/71/68/68/1080716868.db2.gz PUEURXDFAIWAEY-UYAOXDASSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672638476 1080717167 /nfs/dbraw/zinc/71/71/67/1080717167.db2.gz SRYVYADQZZVUJZ-MSOLQXFVSA-N 2 2 422.570 0.315 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672638476 1080717161 /nfs/dbraw/zinc/71/71/61/1080717161.db2.gz SRYVYADQZZVUJZ-MSOLQXFVSA-N 2 2 422.570 0.315 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672638478 1080716921 /nfs/dbraw/zinc/71/69/21/1080716921.db2.gz SRYVYADQZZVUJZ-QZTJIDSGSA-N 2 2 422.570 0.315 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OC[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672638478 1080716911 /nfs/dbraw/zinc/71/69/11/1080716911.db2.gz SRYVYADQZZVUJZ-QZTJIDSGSA-N 2 2 422.570 0.315 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)CC1 ZINC000672638499 1080716799 /nfs/dbraw/zinc/71/67/99/1080716799.db2.gz IKYCMCFNFZLJGF-AITUJVMLSA-N 2 2 404.555 0.735 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)CC1 ZINC000672638499 1080716788 /nfs/dbraw/zinc/71/67/88/1080716788.db2.gz IKYCMCFNFZLJGF-AITUJVMLSA-N 2 2 404.555 0.735 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)CC1 ZINC000672638501 1080717075 /nfs/dbraw/zinc/71/70/75/1080717075.db2.gz IKYCMCFNFZLJGF-GDAAHCPNSA-N 2 2 404.555 0.735 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)CC1 ZINC000672638501 1080717071 /nfs/dbraw/zinc/71/70/71/1080717071.db2.gz IKYCMCFNFZLJGF-GDAAHCPNSA-N 2 2 404.555 0.735 20 0 HCADLP COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638525 1080716455 /nfs/dbraw/zinc/71/64/55/1080716455.db2.gz SXAJJKFFXSZRJA-DLBZAZTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638525 1080716447 /nfs/dbraw/zinc/71/64/47/1080716447.db2.gz SXAJJKFFXSZRJA-DLBZAZTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccccc1O[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638526 1080716690 /nfs/dbraw/zinc/71/66/90/1080716690.db2.gz SXAJJKFFXSZRJA-IAGOWNOFSA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccccc1O[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638526 1080716681 /nfs/dbraw/zinc/71/66/81/1080716681.db2.gz SXAJJKFFXSZRJA-IAGOWNOFSA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638527 1080717201 /nfs/dbraw/zinc/71/72/01/1080717201.db2.gz SXAJJKFFXSZRJA-IRXDYDNUSA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638527 1080717195 /nfs/dbraw/zinc/71/71/95/1080717195.db2.gz SXAJJKFFXSZRJA-IRXDYDNUSA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccccc1O[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638528 1080716591 /nfs/dbraw/zinc/71/65/91/1080716591.db2.gz SXAJJKFFXSZRJA-SJORKVTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1ccccc1O[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638528 1080716579 /nfs/dbraw/zinc/71/65/79/1080716579.db2.gz SXAJJKFFXSZRJA-SJORKVTESA-N 2 2 418.538 0.863 20 0 HCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@H]1C ZINC000672638568 1080721962 /nfs/dbraw/zinc/72/19/62/1080721962.db2.gz FQVYYRZMZBBPMU-IKGGRYGDSA-N 2 2 407.559 0.177 20 0 HCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@H]1C ZINC000672638568 1080721951 /nfs/dbraw/zinc/72/19/51/1080721951.db2.gz FQVYYRZMZBBPMU-IKGGRYGDSA-N 2 2 407.559 0.177 20 0 HCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@H]1C ZINC000672638569 1080721124 /nfs/dbraw/zinc/72/11/24/1080721124.db2.gz FQVYYRZMZBBPMU-IXDOHACOSA-N 2 2 407.559 0.177 20 0 HCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@H]1C ZINC000672638569 1080721117 /nfs/dbraw/zinc/72/11/17/1080721117.db2.gz FQVYYRZMZBBPMU-IXDOHACOSA-N 2 2 407.559 0.177 20 0 HCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000672638570 1080720974 /nfs/dbraw/zinc/72/09/74/1080720974.db2.gz FQVYYRZMZBBPMU-ULQDDVLXSA-N 2 2 407.559 0.177 20 0 HCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000672638570 1080720956 /nfs/dbraw/zinc/72/09/56/1080720956.db2.gz FQVYYRZMZBBPMU-ULQDDVLXSA-N 2 2 407.559 0.177 20 0 HCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000672638571 1080722035 /nfs/dbraw/zinc/72/20/35/1080722035.db2.gz FQVYYRZMZBBPMU-YESZJQIVSA-N 2 2 407.559 0.177 20 0 HCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC[C@@H]1C ZINC000672638571 1080722027 /nfs/dbraw/zinc/72/20/27/1080722027.db2.gz FQVYYRZMZBBPMU-YESZJQIVSA-N 2 2 407.559 0.177 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OC[C@H]4CCOC4)CC3)C2)CC1 ZINC000672638573 1080720584 /nfs/dbraw/zinc/72/05/84/1080720584.db2.gz SRYVYADQZZVUJZ-ROUUACIJSA-N 2 2 422.570 0.315 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OC[C@H]4CCOC4)CC3)C2)CC1 ZINC000672638573 1080720575 /nfs/dbraw/zinc/72/05/75/1080720575.db2.gz SRYVYADQZZVUJZ-ROUUACIJSA-N 2 2 422.570 0.315 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OC[C@H]4CCOC4)CC3)C2)CC1 ZINC000672638574 1080720784 /nfs/dbraw/zinc/72/07/84/1080720784.db2.gz SRYVYADQZZVUJZ-ZWKOTPCHSA-N 2 2 422.570 0.315 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OC[C@H]4CCOC4)CC3)C2)CC1 ZINC000672638574 1080720767 /nfs/dbraw/zinc/72/07/67/1080720767.db2.gz SRYVYADQZZVUJZ-ZWKOTPCHSA-N 2 2 422.570 0.315 20 0 HCADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638575 1080721341 /nfs/dbraw/zinc/72/13/41/1080721341.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638575 1080721330 /nfs/dbraw/zinc/72/13/30/1080721330.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 3 2 405.587 0.461 20 0 HCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638575 1080721324 /nfs/dbraw/zinc/72/13/24/1080721324.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 3 2 405.587 0.461 20 0 HCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638575 1080721322 /nfs/dbraw/zinc/72/13/22/1080721322.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638576 1080721825 /nfs/dbraw/zinc/72/18/25/1080721825.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638576 1080721813 /nfs/dbraw/zinc/72/18/13/1080721813.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 3 2 405.587 0.461 20 0 HCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638576 1080721804 /nfs/dbraw/zinc/72/18/04/1080721804.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 3 2 405.587 0.461 20 0 HCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638576 1080721788 /nfs/dbraw/zinc/72/17/88/1080721788.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638577 1080721243 /nfs/dbraw/zinc/72/12/43/1080721243.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638577 1080721232 /nfs/dbraw/zinc/72/12/32/1080721232.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 3 2 405.587 0.461 20 0 HCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638577 1080721225 /nfs/dbraw/zinc/72/12/25/1080721225.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 3 2 405.587 0.461 20 0 HCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638577 1080721219 /nfs/dbraw/zinc/72/12/19/1080721219.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638578 1080721691 /nfs/dbraw/zinc/72/16/91/1080721691.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 3 2 405.587 0.461 20 0 HCADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638578 1080721683 /nfs/dbraw/zinc/72/16/83/1080721683.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 3 2 405.587 0.461 20 0 HCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638578 1080721669 /nfs/dbraw/zinc/72/16/69/1080721669.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 3 2 405.587 0.461 20 0 HCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638578 1080721657 /nfs/dbraw/zinc/72/16/57/1080721657.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 3 2 405.587 0.461 20 0 HCADLP Cn1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000672638611 1080721905 /nfs/dbraw/zinc/72/19/05/1080721905.db2.gz TUNGQSWGESXLRA-IBGZPJMESA-N 2 2 424.549 0.988 20 0 HCADLP Cn1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000672638611 1080721892 /nfs/dbraw/zinc/72/18/92/1080721892.db2.gz TUNGQSWGESXLRA-IBGZPJMESA-N 2 2 424.549 0.988 20 0 HCADLP Cn1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000672638612 1080721479 /nfs/dbraw/zinc/72/14/79/1080721479.db2.gz TUNGQSWGESXLRA-LJQANCHMSA-N 2 2 424.549 0.988 20 0 HCADLP Cn1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000672638612 1080721466 /nfs/dbraw/zinc/72/14/66/1080721466.db2.gz TUNGQSWGESXLRA-LJQANCHMSA-N 2 2 424.549 0.988 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCN(c4nccs4)CC3)C2)CC1 ZINC000672638613 1080720703 /nfs/dbraw/zinc/72/07/03/1080720703.db2.gz TUUQJVZQXSFMMN-INIZCTEOSA-N 2 2 420.583 0.467 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCN(c4nccs4)CC3)C2)CC1 ZINC000672638613 1080720687 /nfs/dbraw/zinc/72/06/87/1080720687.db2.gz TUUQJVZQXSFMMN-INIZCTEOSA-N 2 2 420.583 0.467 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCN(c4nccs4)CC3)C2)CC1 ZINC000672638617 1080721071 /nfs/dbraw/zinc/72/10/71/1080721071.db2.gz TUUQJVZQXSFMMN-MRXNPFEDSA-N 2 2 420.583 0.467 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCN(c4nccs4)CC3)C2)CC1 ZINC000672638617 1080721060 /nfs/dbraw/zinc/72/10/60/1080721060.db2.gz TUUQJVZQXSFMMN-MRXNPFEDSA-N 2 2 420.583 0.467 20 0 HCADLP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638663 1080720629 /nfs/dbraw/zinc/72/06/29/1080720629.db2.gz GYJHOQPOMCPCKA-FQEVSTJZSA-N 3 2 415.582 0.692 20 0 HCADLP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638663 1080720618 /nfs/dbraw/zinc/72/06/18/1080720618.db2.gz GYJHOQPOMCPCKA-FQEVSTJZSA-N 3 2 415.582 0.692 20 0 HCADLP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638664 1080723225 /nfs/dbraw/zinc/72/32/25/1080723225.db2.gz GYJHOQPOMCPCKA-HXUWFJFHSA-N 3 2 415.582 0.692 20 0 HCADLP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638664 1080723212 /nfs/dbraw/zinc/72/32/12/1080723212.db2.gz GYJHOQPOMCPCKA-HXUWFJFHSA-N 3 2 415.582 0.692 20 0 HCADLP CN(C)C(=O)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672638679 1080723502 /nfs/dbraw/zinc/72/35/02/1080723502.db2.gz UKOZKJVPMUFFKX-INIZCTEOSA-N 2 2 407.559 0.036 20 0 HCADLP CN(C)C(=O)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672638679 1080723491 /nfs/dbraw/zinc/72/34/91/1080723491.db2.gz UKOZKJVPMUFFKX-INIZCTEOSA-N 2 2 407.559 0.036 20 0 HCADLP CN(C)C(=O)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672638681 1080722408 /nfs/dbraw/zinc/72/24/08/1080722408.db2.gz UKOZKJVPMUFFKX-MRXNPFEDSA-N 2 2 407.559 0.036 20 0 HCADLP CN(C)C(=O)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672638681 1080722393 /nfs/dbraw/zinc/72/23/93/1080722393.db2.gz UKOZKJVPMUFFKX-MRXNPFEDSA-N 2 2 407.559 0.036 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000672638721 1080727636 /nfs/dbraw/zinc/72/76/36/1080727636.db2.gz HXVVCGVSZOSURW-GOSISDBHSA-N 2 2 417.529 0.759 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000672638721 1080727626 /nfs/dbraw/zinc/72/76/26/1080727626.db2.gz HXVVCGVSZOSURW-GOSISDBHSA-N 2 2 417.529 0.759 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000672638726 1080727751 /nfs/dbraw/zinc/72/77/51/1080727751.db2.gz HXVVCGVSZOSURW-SFHVURJKSA-N 2 2 417.529 0.759 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000672638726 1080727745 /nfs/dbraw/zinc/72/77/45/1080727745.db2.gz HXVVCGVSZOSURW-SFHVURJKSA-N 2 2 417.529 0.759 20 0 HCADLP CN(CCOc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638729 1080727044 /nfs/dbraw/zinc/72/70/44/1080727044.db2.gz IBSXXOKJOXFKKE-KRWDZBQOSA-N 2 2 406.502 0.948 20 0 HCADLP CN(CCOc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638729 1080727028 /nfs/dbraw/zinc/72/70/28/1080727028.db2.gz IBSXXOKJOXFKKE-KRWDZBQOSA-N 2 2 406.502 0.948 20 0 HCADLP CN(CCOc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638732 1080727582 /nfs/dbraw/zinc/72/75/82/1080727582.db2.gz IBSXXOKJOXFKKE-QGZVFWFLSA-N 2 2 406.502 0.948 20 0 HCADLP CN(CCOc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638732 1080727565 /nfs/dbraw/zinc/72/75/65/1080727565.db2.gz IBSXXOKJOXFKKE-QGZVFWFLSA-N 2 2 406.502 0.948 20 0 HCADLP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638749 1080727166 /nfs/dbraw/zinc/72/71/66/1080727166.db2.gz VKHAYJALEPGZPT-CVEARBPZSA-N 2 2 415.529 0.459 20 0 HCADLP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638749 1080727156 /nfs/dbraw/zinc/72/71/56/1080727156.db2.gz VKHAYJALEPGZPT-CVEARBPZSA-N 2 2 415.529 0.459 20 0 HCADLP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638750 1080727224 /nfs/dbraw/zinc/72/72/24/1080727224.db2.gz VKHAYJALEPGZPT-HOTGVXAUSA-N 2 2 415.529 0.459 20 0 HCADLP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638750 1080727213 /nfs/dbraw/zinc/72/72/13/1080727213.db2.gz VKHAYJALEPGZPT-HOTGVXAUSA-N 2 2 415.529 0.459 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638751 1080727687 /nfs/dbraw/zinc/72/76/87/1080727687.db2.gz VKHAYJALEPGZPT-HZPDHXFCSA-N 2 2 415.529 0.459 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638751 1080727675 /nfs/dbraw/zinc/72/76/75/1080727675.db2.gz VKHAYJALEPGZPT-HZPDHXFCSA-N 2 2 415.529 0.459 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638752 1080727479 /nfs/dbraw/zinc/72/74/79/1080727479.db2.gz VKHAYJALEPGZPT-JKSUJKDBSA-N 2 2 415.529 0.459 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1CC(F)F ZINC000672638752 1080727465 /nfs/dbraw/zinc/72/74/65/1080727465.db2.gz VKHAYJALEPGZPT-JKSUJKDBSA-N 2 2 415.529 0.459 20 0 HCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000672638760 1080728300 /nfs/dbraw/zinc/72/83/00/1080728300.db2.gz IGTNSHBIQRRFTE-KRWDZBQOSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000672638760 1080728293 /nfs/dbraw/zinc/72/82/93/1080728293.db2.gz IGTNSHBIQRRFTE-KRWDZBQOSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000672638761 1080729030 /nfs/dbraw/zinc/72/90/30/1080729030.db2.gz IGTNSHBIQRRFTE-QGZVFWFLSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000672638761 1080729017 /nfs/dbraw/zinc/72/90/17/1080729017.db2.gz IGTNSHBIQRRFTE-QGZVFWFLSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000672638857 1080725863 /nfs/dbraw/zinc/72/58/63/1080725863.db2.gz ZIJASQAGCORKSO-KRWDZBQOSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000672638857 1080725852 /nfs/dbraw/zinc/72/58/52/1080725852.db2.gz ZIJASQAGCORKSO-KRWDZBQOSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000672638858 1080726226 /nfs/dbraw/zinc/72/62/26/1080726226.db2.gz ZIJASQAGCORKSO-QGZVFWFLSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000672638858 1080726211 /nfs/dbraw/zinc/72/62/11/1080726211.db2.gz ZIJASQAGCORKSO-QGZVFWFLSA-N 2 2 418.538 0.947 20 0 HCADLP COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638943 1080727405 /nfs/dbraw/zinc/72/74/05/1080727405.db2.gz WLCSAJVIEFTBAU-FXAWDEMLSA-N 2 2 418.538 0.472 20 0 HCADLP COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638943 1080727392 /nfs/dbraw/zinc/72/73/92/1080727392.db2.gz WLCSAJVIEFTBAU-FXAWDEMLSA-N 2 2 418.538 0.472 20 0 HCADLP COc1ccc([C@H](CO)N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638944 1080727348 /nfs/dbraw/zinc/72/73/48/1080727348.db2.gz WLCSAJVIEFTBAU-PXNSSMCTSA-N 2 2 418.538 0.472 20 0 HCADLP COc1ccc([C@H](CO)N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638944 1080727336 /nfs/dbraw/zinc/72/73/36/1080727336.db2.gz WLCSAJVIEFTBAU-PXNSSMCTSA-N 2 2 418.538 0.472 20 0 HCADLP COc1ccc([C@H](CO)N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638945 1080727107 /nfs/dbraw/zinc/72/71/07/1080727107.db2.gz WLCSAJVIEFTBAU-XLIONFOSSA-N 2 2 418.538 0.472 20 0 HCADLP COc1ccc([C@H](CO)N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638945 1080727095 /nfs/dbraw/zinc/72/70/95/1080727095.db2.gz WLCSAJVIEFTBAU-XLIONFOSSA-N 2 2 418.538 0.472 20 0 HCADLP COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638946 1080727271 /nfs/dbraw/zinc/72/72/71/1080727271.db2.gz WLCSAJVIEFTBAU-YLJYHZDGSA-N 2 2 418.538 0.472 20 0 HCADLP COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672638946 1080727261 /nfs/dbraw/zinc/72/72/61/1080727261.db2.gz WLCSAJVIEFTBAU-YLJYHZDGSA-N 2 2 418.538 0.472 20 0 HCADLP Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639004 1080724936 /nfs/dbraw/zinc/72/49/36/1080724936.db2.gz XIVGCDGPJHMAKV-AEFFLSMTSA-N 2 2 402.543 0.975 20 0 HCADLP Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639004 1080724922 /nfs/dbraw/zinc/72/49/22/1080724922.db2.gz XIVGCDGPJHMAKV-AEFFLSMTSA-N 2 2 402.543 0.975 20 0 HCADLP Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639005 1080724134 /nfs/dbraw/zinc/72/41/34/1080724134.db2.gz XIVGCDGPJHMAKV-FUHWJXTLSA-N 2 2 402.543 0.975 20 0 HCADLP Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639005 1080724115 /nfs/dbraw/zinc/72/41/15/1080724115.db2.gz XIVGCDGPJHMAKV-FUHWJXTLSA-N 2 2 402.543 0.975 20 0 HCADLP Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639006 1080724264 /nfs/dbraw/zinc/72/42/64/1080724264.db2.gz XIVGCDGPJHMAKV-SJLPKXTDSA-N 2 2 402.543 0.975 20 0 HCADLP Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639006 1080724251 /nfs/dbraw/zinc/72/42/51/1080724251.db2.gz XIVGCDGPJHMAKV-SJLPKXTDSA-N 2 2 402.543 0.975 20 0 HCADLP Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639007 1080725089 /nfs/dbraw/zinc/72/50/89/1080725089.db2.gz XIVGCDGPJHMAKV-WMZOPIPTSA-N 2 2 402.543 0.975 20 0 HCADLP Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639007 1080725080 /nfs/dbraw/zinc/72/50/80/1080725080.db2.gz XIVGCDGPJHMAKV-WMZOPIPTSA-N 2 2 402.543 0.975 20 0 HCADLP CCc1ccc([C@@H](COC)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639040 1080725960 /nfs/dbraw/zinc/72/59/60/1080725960.db2.gz XZKFYDQTNLJHSC-CRAIPNDOSA-N 2 2 406.527 0.930 20 0 HCADLP CCc1ccc([C@@H](COC)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639040 1080725955 /nfs/dbraw/zinc/72/59/55/1080725955.db2.gz XZKFYDQTNLJHSC-CRAIPNDOSA-N 2 2 406.527 0.930 20 0 HCADLP CCc1ccc([C@@H](COC)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639041 1080726428 /nfs/dbraw/zinc/72/64/28/1080726428.db2.gz XZKFYDQTNLJHSC-MAUKXSAKSA-N 2 2 406.527 0.930 20 0 HCADLP CCc1ccc([C@@H](COC)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639041 1080726422 /nfs/dbraw/zinc/72/64/22/1080726422.db2.gz XZKFYDQTNLJHSC-MAUKXSAKSA-N 2 2 406.527 0.930 20 0 HCADLP CCc1ccc([C@H](COC)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639042 1080726021 /nfs/dbraw/zinc/72/60/21/1080726021.db2.gz XZKFYDQTNLJHSC-QAPCUYQASA-N 2 2 406.527 0.930 20 0 HCADLP CCc1ccc([C@H](COC)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639042 1080726013 /nfs/dbraw/zinc/72/60/13/1080726013.db2.gz XZKFYDQTNLJHSC-QAPCUYQASA-N 2 2 406.527 0.930 20 0 HCADLP CCc1ccc([C@H](COC)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639043 1080725717 /nfs/dbraw/zinc/72/57/17/1080725717.db2.gz XZKFYDQTNLJHSC-YJBOKZPZSA-N 2 2 406.527 0.930 20 0 HCADLP CCc1ccc([C@H](COC)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639043 1080725707 /nfs/dbraw/zinc/72/57/07/1080725707.db2.gz XZKFYDQTNLJHSC-YJBOKZPZSA-N 2 2 406.527 0.930 20 0 HCADLP COc1ccc(OCCN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672639056 1080726168 /nfs/dbraw/zinc/72/61/68/1080726168.db2.gz YEKLSUYYUPWRAF-KRWDZBQOSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccc(OCCN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672639056 1080726151 /nfs/dbraw/zinc/72/61/51/1080726151.db2.gz YEKLSUYYUPWRAF-KRWDZBQOSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccc(OCCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672639057 1080725523 /nfs/dbraw/zinc/72/55/23/1080725523.db2.gz YEKLSUYYUPWRAF-QGZVFWFLSA-N 2 2 418.538 0.817 20 0 HCADLP COc1ccc(OCCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000672639057 1080725513 /nfs/dbraw/zinc/72/55/13/1080725513.db2.gz YEKLSUYYUPWRAF-QGZVFWFLSA-N 2 2 418.538 0.817 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639072 1080725914 /nfs/dbraw/zinc/72/59/14/1080725914.db2.gz YOJSTEQEIRJQHM-CTNGQTDRSA-N 2 2 414.550 0.741 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639072 1080725905 /nfs/dbraw/zinc/72/59/05/1080725905.db2.gz YOJSTEQEIRJQHM-CTNGQTDRSA-N 2 2 414.550 0.741 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639073 1080726360 /nfs/dbraw/zinc/72/63/60/1080726360.db2.gz YOJSTEQEIRJQHM-FPOVZHCZSA-N 2 2 414.550 0.741 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639073 1080726348 /nfs/dbraw/zinc/72/63/48/1080726348.db2.gz YOJSTEQEIRJQHM-FPOVZHCZSA-N 2 2 414.550 0.741 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639074 1080726584 /nfs/dbraw/zinc/72/65/84/1080726584.db2.gz YOJSTEQEIRJQHM-PZJWPPBQSA-N 2 2 414.550 0.741 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639074 1080726566 /nfs/dbraw/zinc/72/65/66/1080726566.db2.gz YOJSTEQEIRJQHM-PZJWPPBQSA-N 2 2 414.550 0.741 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639075 1080725781 /nfs/dbraw/zinc/72/57/81/1080725781.db2.gz YOJSTEQEIRJQHM-TZIWHRDSSA-N 2 2 414.550 0.741 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)CC1 ZINC000672639075 1080725776 /nfs/dbraw/zinc/72/57/76/1080725776.db2.gz YOJSTEQEIRJQHM-TZIWHRDSSA-N 2 2 414.550 0.741 20 0 HCADLP CCCCn1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000672639125 1080726499 /nfs/dbraw/zinc/72/64/99/1080726499.db2.gz ZOUAXIXQPQTGFK-GOSISDBHSA-N 2 2 404.559 0.893 20 0 HCADLP CCCCn1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000672639125 1080726489 /nfs/dbraw/zinc/72/64/89/1080726489.db2.gz ZOUAXIXQPQTGFK-GOSISDBHSA-N 2 2 404.559 0.893 20 0 HCADLP CCCCn1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000672639126 1080726101 /nfs/dbraw/zinc/72/61/01/1080726101.db2.gz ZOUAXIXQPQTGFK-SFHVURJKSA-N 2 2 404.559 0.893 20 0 HCADLP CCCCn1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000672639126 1080726089 /nfs/dbraw/zinc/72/60/89/1080726089.db2.gz ZOUAXIXQPQTGFK-SFHVURJKSA-N 2 2 404.559 0.893 20 0 HCADLP CCN(CC)C(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639167 1080724978 /nfs/dbraw/zinc/72/49/78/1080724978.db2.gz JFOLUABRPODBIP-GOSISDBHSA-N 2 2 421.586 0.378 20 0 HCADLP CCN(CC)C(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639167 1080724969 /nfs/dbraw/zinc/72/49/69/1080724969.db2.gz JFOLUABRPODBIP-GOSISDBHSA-N 2 2 421.586 0.378 20 0 HCADLP CCN(CC)C(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639168 1080724592 /nfs/dbraw/zinc/72/45/92/1080724592.db2.gz JFOLUABRPODBIP-SFHVURJKSA-N 2 2 421.586 0.378 20 0 HCADLP CCN(CC)C(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639168 1080724582 /nfs/dbraw/zinc/72/45/82/1080724582.db2.gz JFOLUABRPODBIP-SFHVURJKSA-N 2 2 421.586 0.378 20 0 HCADLP COc1cc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000672639220 1080724061 /nfs/dbraw/zinc/72/40/61/1080724061.db2.gz JHUYEYMTZYZQJU-KRWDZBQOSA-N 2 2 418.538 0.947 20 0 HCADLP COc1cc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000672639220 1080724047 /nfs/dbraw/zinc/72/40/47/1080724047.db2.gz JHUYEYMTZYZQJU-KRWDZBQOSA-N 2 2 418.538 0.947 20 0 HCADLP COc1cc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000672639222 1080725135 /nfs/dbraw/zinc/72/51/35/1080725135.db2.gz JHUYEYMTZYZQJU-QGZVFWFLSA-N 2 2 418.538 0.947 20 0 HCADLP COc1cc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000672639222 1080725124 /nfs/dbraw/zinc/72/51/24/1080725124.db2.gz JHUYEYMTZYZQJU-QGZVFWFLSA-N 2 2 418.538 0.947 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccsc4)C3)C2)CC1 ZINC000672639297 1080722767 /nfs/dbraw/zinc/72/27/67/1080722767.db2.gz AEHVHLXHWUJXTN-AEFFLSMTSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccsc4)C3)C2)CC1 ZINC000672639297 1080722754 /nfs/dbraw/zinc/72/27/54/1080722754.db2.gz AEHVHLXHWUJXTN-AEFFLSMTSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccsc4)C3)C2)CC1 ZINC000672639300 1080723008 /nfs/dbraw/zinc/72/30/08/1080723008.db2.gz AEHVHLXHWUJXTN-FUHWJXTLSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccsc4)C3)C2)CC1 ZINC000672639300 1080722996 /nfs/dbraw/zinc/72/29/96/1080722996.db2.gz AEHVHLXHWUJXTN-FUHWJXTLSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccsc4)C3)C2)CC1 ZINC000672639301 1080723372 /nfs/dbraw/zinc/72/33/72/1080723372.db2.gz AEHVHLXHWUJXTN-SJLPKXTDSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccsc4)C3)C2)CC1 ZINC000672639301 1080723355 /nfs/dbraw/zinc/72/33/55/1080723355.db2.gz AEHVHLXHWUJXTN-SJLPKXTDSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccsc4)C3)C2)CC1 ZINC000672639302 1080723077 /nfs/dbraw/zinc/72/30/77/1080723077.db2.gz AEHVHLXHWUJXTN-WMZOPIPTSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccsc4)C3)C2)CC1 ZINC000672639302 1080723055 /nfs/dbraw/zinc/72/30/55/1080723055.db2.gz AEHVHLXHWUJXTN-WMZOPIPTSA-N 2 2 406.552 0.933 20 0 HCADLP Cc1ccc2c(c1)nc(CNC(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)n2C ZINC000672639339 1080723305 /nfs/dbraw/zinc/72/33/05/1080723305.db2.gz KYNGKDXWCJTYOZ-INIZCTEOSA-N 2 2 412.538 0.783 20 0 HCADLP Cc1ccc2c(c1)nc(CNC(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)n2C ZINC000672639339 1080723290 /nfs/dbraw/zinc/72/32/90/1080723290.db2.gz KYNGKDXWCJTYOZ-INIZCTEOSA-N 2 2 412.538 0.783 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639349 1080723714 /nfs/dbraw/zinc/72/37/14/1080723714.db2.gz BLNXBGFHIOMNLO-KRWDZBQOSA-N 3 2 400.527 0.015 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639349 1080723702 /nfs/dbraw/zinc/72/37/02/1080723702.db2.gz BLNXBGFHIOMNLO-KRWDZBQOSA-N 3 2 400.527 0.015 20 0 HCADLP Cc1ccc2c(c1)nc(CNC(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)n2C ZINC000672639350 1080723637 /nfs/dbraw/zinc/72/36/37/1080723637.db2.gz KYNGKDXWCJTYOZ-MRXNPFEDSA-N 2 2 412.538 0.783 20 0 HCADLP Cc1ccc2c(c1)nc(CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)n2C ZINC000672639350 1080723623 /nfs/dbraw/zinc/72/36/23/1080723623.db2.gz KYNGKDXWCJTYOZ-MRXNPFEDSA-N 2 2 412.538 0.783 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639352 1080722647 /nfs/dbraw/zinc/72/26/47/1080722647.db2.gz BLNXBGFHIOMNLO-QGZVFWFLSA-N 3 2 400.527 0.015 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639352 1080722639 /nfs/dbraw/zinc/72/26/39/1080722639.db2.gz BLNXBGFHIOMNLO-QGZVFWFLSA-N 3 2 400.527 0.015 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639391 1080724382 /nfs/dbraw/zinc/72/43/82/1080724382.db2.gz BYHSTGNSLCYNSH-GDBMZVCRSA-N 2 2 420.476 0.841 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639391 1080724370 /nfs/dbraw/zinc/72/43/70/1080724370.db2.gz BYHSTGNSLCYNSH-GDBMZVCRSA-N 2 2 420.476 0.841 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639393 1080724775 /nfs/dbraw/zinc/72/47/75/1080724775.db2.gz BYHSTGNSLCYNSH-GOEBONIOSA-N 2 2 420.476 0.841 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639393 1080724762 /nfs/dbraw/zinc/72/47/62/1080724762.db2.gz BYHSTGNSLCYNSH-GOEBONIOSA-N 2 2 420.476 0.841 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639394 1080724888 /nfs/dbraw/zinc/72/48/88/1080724888.db2.gz BYHSTGNSLCYNSH-HOCLYGCPSA-N 2 2 420.476 0.841 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639394 1080724882 /nfs/dbraw/zinc/72/48/82/1080724882.db2.gz BYHSTGNSLCYNSH-HOCLYGCPSA-N 2 2 420.476 0.841 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639396 1080724327 /nfs/dbraw/zinc/72/43/27/1080724327.db2.gz BYHSTGNSLCYNSH-ZBFHGGJFSA-N 2 2 420.476 0.841 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](OCC(F)(F)F)C3)C2)CC1 ZINC000672639396 1080724319 /nfs/dbraw/zinc/72/43/19/1080724319.db2.gz BYHSTGNSLCYNSH-ZBFHGGJFSA-N 2 2 420.476 0.841 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639399 1080724708 /nfs/dbraw/zinc/72/47/08/1080724708.db2.gz LGTOYNYAJPUJEA-AZUAARDMSA-N 2 2 402.539 0.901 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639399 1080724696 /nfs/dbraw/zinc/72/46/96/1080724696.db2.gz LGTOYNYAJPUJEA-AZUAARDMSA-N 2 2 402.539 0.901 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639402 1080725048 /nfs/dbraw/zinc/72/50/48/1080725048.db2.gz LGTOYNYAJPUJEA-ICSRJNTNSA-N 2 2 402.539 0.901 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639402 1080725037 /nfs/dbraw/zinc/72/50/37/1080725037.db2.gz LGTOYNYAJPUJEA-ICSRJNTNSA-N 2 2 402.539 0.901 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639403 1080724457 /nfs/dbraw/zinc/72/44/57/1080724457.db2.gz LGTOYNYAJPUJEA-QUCCMNQESA-N 2 2 402.539 0.901 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639403 1080724446 /nfs/dbraw/zinc/72/44/46/1080724446.db2.gz LGTOYNYAJPUJEA-QUCCMNQESA-N 2 2 402.539 0.901 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639406 1080724843 /nfs/dbraw/zinc/72/48/43/1080724843.db2.gz LGTOYNYAJPUJEA-UYAOXDASSA-N 2 2 402.539 0.901 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](CCCO)c3ccccc3)C2)CC1 ZINC000672639406 1080724828 /nfs/dbraw/zinc/72/48/28/1080724828.db2.gz LGTOYNYAJPUJEA-UYAOXDASSA-N 2 2 402.539 0.901 20 0 HCADLP COCCCN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639450 1080722821 /nfs/dbraw/zinc/72/28/21/1080722821.db2.gz MKAHMVKSSZQKRD-IBGZPJMESA-N 2 2 417.554 0.731 20 0 HCADLP COCCCN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639450 1080722812 /nfs/dbraw/zinc/72/28/12/1080722812.db2.gz MKAHMVKSSZQKRD-IBGZPJMESA-N 2 2 417.554 0.731 20 0 HCADLP COCCCN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639451 1080723570 /nfs/dbraw/zinc/72/35/70/1080723570.db2.gz MKAHMVKSSZQKRD-LJQANCHMSA-N 2 2 417.554 0.731 20 0 HCADLP COCCCN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639451 1080723557 /nfs/dbraw/zinc/72/35/57/1080723557.db2.gz MKAHMVKSSZQKRD-LJQANCHMSA-N 2 2 417.554 0.731 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639464 1080723421 /nfs/dbraw/zinc/72/34/21/1080723421.db2.gz NKKBHGOOTDPIBP-DLBZAZTESA-N 2 2 424.611 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639464 1080723404 /nfs/dbraw/zinc/72/34/04/1080723404.db2.gz NKKBHGOOTDPIBP-DLBZAZTESA-N 2 2 424.611 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639465 1080722951 /nfs/dbraw/zinc/72/29/51/1080722951.db2.gz NKKBHGOOTDPIBP-IAGOWNOFSA-N 2 2 424.611 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639465 1080722945 /nfs/dbraw/zinc/72/29/45/1080722945.db2.gz NKKBHGOOTDPIBP-IAGOWNOFSA-N 2 2 424.611 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639466 1080722693 /nfs/dbraw/zinc/72/26/93/1080722693.db2.gz NKKBHGOOTDPIBP-IRXDYDNUSA-N 2 2 424.611 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639466 1080722683 /nfs/dbraw/zinc/72/26/83/1080722683.db2.gz NKKBHGOOTDPIBP-IRXDYDNUSA-N 2 2 424.611 0.832 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639467 1080723150 /nfs/dbraw/zinc/72/31/50/1080723150.db2.gz NKKBHGOOTDPIBP-SJORKVTESA-N 2 2 424.611 0.832 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639467 1080723137 /nfs/dbraw/zinc/72/31/37/1080723137.db2.gz NKKBHGOOTDPIBP-SJORKVTESA-N 2 2 424.611 0.832 20 0 HCADLP Cn1nc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672639511 1080722494 /nfs/dbraw/zinc/72/24/94/1080722494.db2.gz OZXQUAVYRLWILU-INIZCTEOSA-N 2 2 412.538 0.517 20 0 HCADLP Cn1nc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672639511 1080722480 /nfs/dbraw/zinc/72/24/80/1080722480.db2.gz OZXQUAVYRLWILU-INIZCTEOSA-N 2 2 412.538 0.517 20 0 HCADLP Cn1nc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672639512 1080722896 /nfs/dbraw/zinc/72/28/96/1080722896.db2.gz OZXQUAVYRLWILU-MRXNPFEDSA-N 2 2 412.538 0.517 20 0 HCADLP Cn1nc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000672639512 1080722883 /nfs/dbraw/zinc/72/28/83/1080722883.db2.gz OZXQUAVYRLWILU-MRXNPFEDSA-N 2 2 412.538 0.517 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639566 1080722579 /nfs/dbraw/zinc/72/25/79/1080722579.db2.gz QSDVIAFTOYDYIU-IBGZPJMESA-N 2 2 402.539 0.335 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639566 1080722567 /nfs/dbraw/zinc/72/25/67/1080722567.db2.gz QSDVIAFTOYDYIU-IBGZPJMESA-N 2 2 402.539 0.335 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639574 1080734466 /nfs/dbraw/zinc/73/44/66/1080734466.db2.gz QSDVIAFTOYDYIU-LJQANCHMSA-N 2 2 402.539 0.335 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639574 1080734453 /nfs/dbraw/zinc/73/44/53/1080734453.db2.gz QSDVIAFTOYDYIU-LJQANCHMSA-N 2 2 402.539 0.335 20 0 HCADLP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639600 1080734598 /nfs/dbraw/zinc/73/45/98/1080734598.db2.gz CTCIXWSYBFXRAU-IBGZPJMESA-N 3 2 407.603 0.852 20 0 HCADLP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639600 1080734586 /nfs/dbraw/zinc/73/45/86/1080734586.db2.gz CTCIXWSYBFXRAU-IBGZPJMESA-N 3 2 407.603 0.852 20 0 HCADLP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639602 1080734337 /nfs/dbraw/zinc/73/43/37/1080734337.db2.gz CTCIXWSYBFXRAU-LJQANCHMSA-N 3 2 407.603 0.852 20 0 HCADLP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639602 1080734326 /nfs/dbraw/zinc/73/43/26/1080734326.db2.gz CTCIXWSYBFXRAU-LJQANCHMSA-N 3 2 407.603 0.852 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC[N@H+](C4CCCC4)CC3)C2)CC1 ZINC000672639620 1080733862 /nfs/dbraw/zinc/73/38/62/1080733862.db2.gz DBICOHWJDAESRN-GOSISDBHSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)CC1 ZINC000672639620 1080733852 /nfs/dbraw/zinc/73/38/52/1080733852.db2.gz DBICOHWJDAESRN-GOSISDBHSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000672639620 1080733836 /nfs/dbraw/zinc/73/38/36/1080733836.db2.gz DBICOHWJDAESRN-GOSISDBHSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000672639620 1080733827 /nfs/dbraw/zinc/73/38/27/1080733827.db2.gz DBICOHWJDAESRN-GOSISDBHSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[N@H+](C4CCCC4)CC3)C2)CC1 ZINC000672639621 1080734810 /nfs/dbraw/zinc/73/48/10/1080734810.db2.gz DBICOHWJDAESRN-SFHVURJKSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)CC1 ZINC000672639621 1080734802 /nfs/dbraw/zinc/73/48/02/1080734802.db2.gz DBICOHWJDAESRN-SFHVURJKSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000672639621 1080734787 /nfs/dbraw/zinc/73/47/87/1080734787.db2.gz DBICOHWJDAESRN-SFHVURJKSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000672639621 1080734774 /nfs/dbraw/zinc/73/47/74/1080734774.db2.gz DBICOHWJDAESRN-SFHVURJKSA-N 3 2 405.587 0.748 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639672 1080734104 /nfs/dbraw/zinc/73/41/04/1080734104.db2.gz DWSUGHJTYMRMSX-DOTOQJQBSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639672 1080734087 /nfs/dbraw/zinc/73/40/87/1080734087.db2.gz DWSUGHJTYMRMSX-DOTOQJQBSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639673 1080734987 /nfs/dbraw/zinc/73/49/87/1080734987.db2.gz DWSUGHJTYMRMSX-NVXWUHKLSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639673 1080734979 /nfs/dbraw/zinc/73/49/79/1080734979.db2.gz DWSUGHJTYMRMSX-NVXWUHKLSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639675 1080734265 /nfs/dbraw/zinc/73/42/65/1080734265.db2.gz DWSUGHJTYMRMSX-RDJZCZTQSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639675 1080734255 /nfs/dbraw/zinc/73/42/55/1080734255.db2.gz DWSUGHJTYMRMSX-RDJZCZTQSA-N 2 2 406.502 0.994 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639676 1080734008 /nfs/dbraw/zinc/73/40/08/1080734008.db2.gz MZZSYPAQWHOJOO-HNNXBMFYSA-N 2 2 404.486 0.831 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639676 1080733991 /nfs/dbraw/zinc/73/39/91/1080733991.db2.gz MZZSYPAQWHOJOO-HNNXBMFYSA-N 2 2 404.486 0.831 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639677 1080734531 /nfs/dbraw/zinc/73/45/31/1080734531.db2.gz DWSUGHJTYMRMSX-WBVHZDCISA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639677 1080734516 /nfs/dbraw/zinc/73/45/16/1080734516.db2.gz DWSUGHJTYMRMSX-WBVHZDCISA-N 2 2 406.502 0.994 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639680 1080734678 /nfs/dbraw/zinc/73/46/78/1080734678.db2.gz MZZSYPAQWHOJOO-OAHLLOKOSA-N 2 2 404.486 0.831 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639680 1080734665 /nfs/dbraw/zinc/73/46/65/1080734665.db2.gz MZZSYPAQWHOJOO-OAHLLOKOSA-N 2 2 404.486 0.831 20 0 HCADLP CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639724 1080732395 /nfs/dbraw/zinc/73/23/95/1080732395.db2.gz FRVFWPFHPURMBM-KRWDZBQOSA-N 2 2 407.559 0.036 20 0 HCADLP CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639724 1080732373 /nfs/dbraw/zinc/73/23/73/1080732373.db2.gz FRVFWPFHPURMBM-KRWDZBQOSA-N 2 2 407.559 0.036 20 0 HCADLP CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639725 1080733063 /nfs/dbraw/zinc/73/30/63/1080733063.db2.gz FRVFWPFHPURMBM-QGZVFWFLSA-N 2 2 407.559 0.036 20 0 HCADLP CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639725 1080733054 /nfs/dbraw/zinc/73/30/54/1080733054.db2.gz FRVFWPFHPURMBM-QGZVFWFLSA-N 2 2 407.559 0.036 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639735 1080733341 /nfs/dbraw/zinc/73/33/41/1080733341.db2.gz FVSIIMPHHGULOB-DOTOQJQBSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639735 1080733330 /nfs/dbraw/zinc/73/33/30/1080733330.db2.gz FVSIIMPHHGULOB-DOTOQJQBSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639736 1080733004 /nfs/dbraw/zinc/73/30/04/1080733004.db2.gz FVSIIMPHHGULOB-NVXWUHKLSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639736 1080732992 /nfs/dbraw/zinc/73/29/92/1080732992.db2.gz FVSIIMPHHGULOB-NVXWUHKLSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639737 1080732578 /nfs/dbraw/zinc/73/25/78/1080732578.db2.gz FVSIIMPHHGULOB-RDJZCZTQSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639737 1080732559 /nfs/dbraw/zinc/73/25/59/1080732559.db2.gz FVSIIMPHHGULOB-RDJZCZTQSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639738 1080733174 /nfs/dbraw/zinc/73/31/74/1080733174.db2.gz FVSIIMPHHGULOB-WBVHZDCISA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1cccc(F)c1 ZINC000672639738 1080733162 /nfs/dbraw/zinc/73/31/62/1080733162.db2.gz FVSIIMPHHGULOB-WBVHZDCISA-N 2 2 406.502 0.994 20 0 HCADLP Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639850 1080732942 /nfs/dbraw/zinc/73/29/42/1080732942.db2.gz SCNULAGHFGQIHR-AEFFLSMTSA-N 2 2 404.511 0.773 20 0 HCADLP Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639850 1080732931 /nfs/dbraw/zinc/73/29/31/1080732931.db2.gz SCNULAGHFGQIHR-AEFFLSMTSA-N 2 2 404.511 0.773 20 0 HCADLP Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639851 1080732664 /nfs/dbraw/zinc/73/26/64/1080732664.db2.gz SCNULAGHFGQIHR-FUHWJXTLSA-N 2 2 404.511 0.773 20 0 HCADLP Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639851 1080732646 /nfs/dbraw/zinc/73/26/46/1080732646.db2.gz SCNULAGHFGQIHR-FUHWJXTLSA-N 2 2 404.511 0.773 20 0 HCADLP Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639852 1080732837 /nfs/dbraw/zinc/73/28/37/1080732837.db2.gz SCNULAGHFGQIHR-SJLPKXTDSA-N 2 2 404.511 0.773 20 0 HCADLP Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639852 1080732825 /nfs/dbraw/zinc/73/28/25/1080732825.db2.gz SCNULAGHFGQIHR-SJLPKXTDSA-N 2 2 404.511 0.773 20 0 HCADLP Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639853 1080733244 /nfs/dbraw/zinc/73/32/44/1080733244.db2.gz SCNULAGHFGQIHR-WMZOPIPTSA-N 2 2 404.511 0.773 20 0 HCADLP Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000672639853 1080733232 /nfs/dbraw/zinc/73/32/32/1080733232.db2.gz SCNULAGHFGQIHR-WMZOPIPTSA-N 2 2 404.511 0.773 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639944 1080732898 /nfs/dbraw/zinc/73/28/98/1080732898.db2.gz UTTXXMFVICFCHC-IPYPFGDCSA-N 2 2 406.449 0.449 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639944 1080732888 /nfs/dbraw/zinc/73/28/88/1080732888.db2.gz UTTXXMFVICFCHC-IPYPFGDCSA-N 2 2 406.449 0.449 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639952 1080732782 /nfs/dbraw/zinc/73/27/82/1080732782.db2.gz UTTXXMFVICFCHC-NFAWXSAZSA-N 2 2 406.449 0.449 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639952 1080732778 /nfs/dbraw/zinc/73/27/78/1080732778.db2.gz UTTXXMFVICFCHC-NFAWXSAZSA-N 2 2 406.449 0.449 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C(F)(F)F)O1 ZINC000672639954 1080733293 /nfs/dbraw/zinc/73/32/93/1080733293.db2.gz UTTXXMFVICFCHC-UMVBOHGHSA-N 2 2 406.449 0.449 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C(F)(F)F)O1 ZINC000672639954 1080733286 /nfs/dbraw/zinc/73/32/86/1080733286.db2.gz UTTXXMFVICFCHC-UMVBOHGHSA-N 2 2 406.449 0.449 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C(F)(F)F)O1 ZINC000672639956 1080732730 /nfs/dbraw/zinc/73/27/30/1080732730.db2.gz UTTXXMFVICFCHC-VNHYZAJKSA-N 2 2 406.449 0.449 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C(F)(F)F)O1 ZINC000672639956 1080732723 /nfs/dbraw/zinc/73/27/23/1080732723.db2.gz UTTXXMFVICFCHC-VNHYZAJKSA-N 2 2 406.449 0.449 20 0 HCADLP Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639987 1080732488 /nfs/dbraw/zinc/73/24/88/1080732488.db2.gz QVBUCHIZWHPNCN-IBGZPJMESA-N 2 2 413.566 0.928 20 0 HCADLP Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639987 1080732472 /nfs/dbraw/zinc/73/24/72/1080732472.db2.gz QVBUCHIZWHPNCN-IBGZPJMESA-N 2 2 413.566 0.928 20 0 HCADLP Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639988 1080733113 /nfs/dbraw/zinc/73/31/13/1080733113.db2.gz QVBUCHIZWHPNCN-LJQANCHMSA-N 2 2 413.566 0.928 20 0 HCADLP Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639988 1080733104 /nfs/dbraw/zinc/73/31/04/1080733104.db2.gz QVBUCHIZWHPNCN-LJQANCHMSA-N 2 2 413.566 0.928 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000672640047 1080731501 /nfs/dbraw/zinc/73/15/01/1080731501.db2.gz HBGCVHUDADQGEG-IBGZPJMESA-N 2 2 414.554 0.011 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000672640047 1080731490 /nfs/dbraw/zinc/73/14/90/1080731490.db2.gz HBGCVHUDADQGEG-IBGZPJMESA-N 2 2 414.554 0.011 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000672640048 1080731281 /nfs/dbraw/zinc/73/12/81/1080731281.db2.gz HBGCVHUDADQGEG-LJQANCHMSA-N 2 2 414.554 0.011 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000672640048 1080731260 /nfs/dbraw/zinc/73/12/60/1080731260.db2.gz HBGCVHUDADQGEG-LJQANCHMSA-N 2 2 414.554 0.011 20 0 HCADLP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640065 1080731689 /nfs/dbraw/zinc/73/16/89/1080731689.db2.gz HSCJGNBZHUDVDZ-GOSISDBHSA-N 3 2 423.602 0.230 20 0 HCADLP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640065 1080731683 /nfs/dbraw/zinc/73/16/83/1080731683.db2.gz HSCJGNBZHUDVDZ-GOSISDBHSA-N 3 2 423.602 0.230 20 0 HCADLP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640066 1080731427 /nfs/dbraw/zinc/73/14/27/1080731427.db2.gz HSCJGNBZHUDVDZ-SFHVURJKSA-N 3 2 423.602 0.230 20 0 HCADLP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640066 1080731416 /nfs/dbraw/zinc/73/14/16/1080731416.db2.gz HSCJGNBZHUDVDZ-SFHVURJKSA-N 3 2 423.602 0.230 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640096 1080731647 /nfs/dbraw/zinc/73/16/47/1080731647.db2.gz VAQWTNARBWOQMW-FDDCHVKYSA-N 2 2 412.534 0.929 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640096 1080731635 /nfs/dbraw/zinc/73/16/35/1080731635.db2.gz VAQWTNARBWOQMW-FDDCHVKYSA-N 2 2 412.534 0.929 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640097 1080731039 /nfs/dbraw/zinc/73/10/39/1080731039.db2.gz VAQWTNARBWOQMW-JPYJTQIMSA-N 2 2 412.534 0.929 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640097 1080731020 /nfs/dbraw/zinc/73/10/20/1080731020.db2.gz VAQWTNARBWOQMW-JPYJTQIMSA-N 2 2 412.534 0.929 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640098 1080731826 /nfs/dbraw/zinc/73/18/26/1080731826.db2.gz VAQWTNARBWOQMW-MBSDFSHPSA-N 2 2 412.534 0.929 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640098 1080731815 /nfs/dbraw/zinc/73/18/15/1080731815.db2.gz VAQWTNARBWOQMW-MBSDFSHPSA-N 2 2 412.534 0.929 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640099 1080731362 /nfs/dbraw/zinc/73/13/62/1080731362.db2.gz VAQWTNARBWOQMW-WZONZLPQSA-N 2 2 412.534 0.929 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@]4(C3)OCc3ccccc34)C2)CC1 ZINC000672640099 1080731346 /nfs/dbraw/zinc/73/13/46/1080731346.db2.gz VAQWTNARBWOQMW-WZONZLPQSA-N 2 2 412.534 0.929 20 0 HCADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640127 1080731753 /nfs/dbraw/zinc/73/17/53/1080731753.db2.gz VTVWRSAFLWCCNL-KRWDZBQOSA-N 3 2 421.611 0.923 20 0 HCADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640127 1080731743 /nfs/dbraw/zinc/73/17/43/1080731743.db2.gz VTVWRSAFLWCCNL-KRWDZBQOSA-N 3 2 421.611 0.923 20 0 HCADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640131 1080730970 /nfs/dbraw/zinc/73/09/70/1080730970.db2.gz VTVWRSAFLWCCNL-QGZVFWFLSA-N 3 2 421.611 0.923 20 0 HCADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640131 1080730953 /nfs/dbraw/zinc/73/09/53/1080730953.db2.gz VTVWRSAFLWCCNL-QGZVFWFLSA-N 3 2 421.611 0.923 20 0 HCADLP COc1ccccc1CN(CCO)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640171 1080729798 /nfs/dbraw/zinc/72/97/98/1080729798.db2.gz SHUBFVKUVNQVLP-GOSISDBHSA-N 2 2 418.538 0.301 20 0 HCADLP COc1ccccc1CN(CCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640171 1080729784 /nfs/dbraw/zinc/72/97/84/1080729784.db2.gz SHUBFVKUVNQVLP-GOSISDBHSA-N 2 2 418.538 0.301 20 0 HCADLP COc1ccccc1CN(CCO)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640174 1080730208 /nfs/dbraw/zinc/73/02/08/1080730208.db2.gz SHUBFVKUVNQVLP-SFHVURJKSA-N 2 2 418.538 0.301 20 0 HCADLP COc1ccccc1CN(CCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640174 1080730200 /nfs/dbraw/zinc/73/02/00/1080730200.db2.gz SHUBFVKUVNQVLP-SFHVURJKSA-N 2 2 418.538 0.301 20 0 HCADLP CN(CCOc1ccccc1F)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640175 1080729607 /nfs/dbraw/zinc/72/96/07/1080729607.db2.gz SNEOJHSOGVUYBT-INIZCTEOSA-N 2 2 406.502 0.948 20 0 HCADLP CN(CCOc1ccccc1F)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640175 1080729588 /nfs/dbraw/zinc/72/95/88/1080729588.db2.gz SNEOJHSOGVUYBT-INIZCTEOSA-N 2 2 406.502 0.948 20 0 HCADLP CN(CCOc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640176 1080729914 /nfs/dbraw/zinc/72/99/14/1080729914.db2.gz SNEOJHSOGVUYBT-MRXNPFEDSA-N 2 2 406.502 0.948 20 0 HCADLP CN(CCOc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640176 1080729907 /nfs/dbraw/zinc/72/99/07/1080729907.db2.gz SNEOJHSOGVUYBT-MRXNPFEDSA-N 2 2 406.502 0.948 20 0 HCADLP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n[nH]1 ZINC000672640195 1080729735 /nfs/dbraw/zinc/72/97/35/1080729735.db2.gz TYXBFLAAJIPTDB-KRWDZBQOSA-N 2 2 417.558 0.088 20 0 HCADLP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n[nH]1 ZINC000672640195 1080729730 /nfs/dbraw/zinc/72/97/30/1080729730.db2.gz TYXBFLAAJIPTDB-KRWDZBQOSA-N 2 2 417.558 0.088 20 0 HCADLP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n[nH]1 ZINC000672640197 1080730276 /nfs/dbraw/zinc/73/02/76/1080730276.db2.gz TYXBFLAAJIPTDB-QGZVFWFLSA-N 2 2 417.558 0.088 20 0 HCADLP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n[nH]1 ZINC000672640197 1080730266 /nfs/dbraw/zinc/73/02/66/1080730266.db2.gz TYXBFLAAJIPTDB-QGZVFWFLSA-N 2 2 417.558 0.088 20 0 HCADLP Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640219 1080730092 /nfs/dbraw/zinc/73/00/92/1080730092.db2.gz UEJJAEKTRMMRGL-APWZRJJASA-N 2 2 402.543 0.677 20 0 HCADLP Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640219 1080730082 /nfs/dbraw/zinc/73/00/82/1080730082.db2.gz UEJJAEKTRMMRGL-APWZRJJASA-N 2 2 402.543 0.677 20 0 HCADLP Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640222 1080730423 /nfs/dbraw/zinc/73/04/23/1080730423.db2.gz UEJJAEKTRMMRGL-LPHOPBHVSA-N 2 2 402.543 0.677 20 0 HCADLP Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640222 1080730405 /nfs/dbraw/zinc/73/04/05/1080730405.db2.gz UEJJAEKTRMMRGL-LPHOPBHVSA-N 2 2 402.543 0.677 20 0 HCADLP Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640223 1080730042 /nfs/dbraw/zinc/73/00/42/1080730042.db2.gz UEJJAEKTRMMRGL-QFBILLFUSA-N 2 2 402.543 0.677 20 0 HCADLP Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640223 1080730033 /nfs/dbraw/zinc/73/00/33/1080730033.db2.gz UEJJAEKTRMMRGL-QFBILLFUSA-N 2 2 402.543 0.677 20 0 HCADLP Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640224 1080729669 /nfs/dbraw/zinc/72/96/69/1080729669.db2.gz UEJJAEKTRMMRGL-VQIMIIECSA-N 2 2 402.543 0.677 20 0 HCADLP Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640224 1080729659 /nfs/dbraw/zinc/72/96/59/1080729659.db2.gz UEJJAEKTRMMRGL-VQIMIIECSA-N 2 2 402.543 0.677 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCc2c1cnn2C ZINC000672640229 1080729985 /nfs/dbraw/zinc/72/99/85/1080729985.db2.gz XXYRDHXHVZIWEH-CRAIPNDOSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCc2c1cnn2C ZINC000672640229 1080729973 /nfs/dbraw/zinc/72/99/73/1080729973.db2.gz XXYRDHXHVZIWEH-CRAIPNDOSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCc2c1cnn2C ZINC000672640233 1080731590 /nfs/dbraw/zinc/73/15/90/1080731590.db2.gz XXYRDHXHVZIWEH-MAUKXSAKSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCc2c1cnn2C ZINC000672640233 1080731580 /nfs/dbraw/zinc/73/15/80/1080731580.db2.gz XXYRDHXHVZIWEH-MAUKXSAKSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCc2c1cnn2C ZINC000672640237 1080731884 /nfs/dbraw/zinc/73/18/84/1080731884.db2.gz XXYRDHXHVZIWEH-QAPCUYQASA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCc2c1cnn2C ZINC000672640237 1080731873 /nfs/dbraw/zinc/73/18/73/1080731873.db2.gz XXYRDHXHVZIWEH-QAPCUYQASA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCc2c1cnn2C ZINC000672640239 1080731542 /nfs/dbraw/zinc/73/15/42/1080731542.db2.gz XXYRDHXHVZIWEH-YJBOKZPZSA-N 2 2 402.543 0.541 20 0 HCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCc2c1cnn2C ZINC000672640239 1080731535 /nfs/dbraw/zinc/73/15/35/1080731535.db2.gz XXYRDHXHVZIWEH-YJBOKZPZSA-N 2 2 402.543 0.541 20 0 HCADLP COc1ccc2c(c1)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640282 1080731993 /nfs/dbraw/zinc/73/19/93/1080731993.db2.gz VDGIHCCNFBOCRV-GOSISDBHSA-N 2 2 400.523 0.865 20 0 HCADLP COc1ccc2c(c1)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640282 1080731983 /nfs/dbraw/zinc/73/19/83/1080731983.db2.gz VDGIHCCNFBOCRV-GOSISDBHSA-N 2 2 400.523 0.865 20 0 HCADLP COc1ccc2c(c1)CN(C(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640288 1080732048 /nfs/dbraw/zinc/73/20/48/1080732048.db2.gz VDGIHCCNFBOCRV-SFHVURJKSA-N 2 2 400.523 0.865 20 0 HCADLP COc1ccc2c(c1)CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640288 1080732040 /nfs/dbraw/zinc/73/20/40/1080732040.db2.gz VDGIHCCNFBOCRV-SFHVURJKSA-N 2 2 400.523 0.865 20 0 HCADLP CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640289 1080731190 /nfs/dbraw/zinc/73/11/90/1080731190.db2.gz VIKZYNNYJLJODR-AEFFLSMTSA-N 2 2 416.522 0.570 20 0 HCADLP CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640289 1080731167 /nfs/dbraw/zinc/73/11/67/1080731167.db2.gz VIKZYNNYJLJODR-AEFFLSMTSA-N 2 2 416.522 0.570 20 0 HCADLP CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640291 1080731938 /nfs/dbraw/zinc/73/19/38/1080731938.db2.gz VIKZYNNYJLJODR-FUHWJXTLSA-N 2 2 416.522 0.570 20 0 HCADLP CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640291 1080731927 /nfs/dbraw/zinc/73/19/27/1080731927.db2.gz VIKZYNNYJLJODR-FUHWJXTLSA-N 2 2 416.522 0.570 20 0 HCADLP CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640294 1080731104 /nfs/dbraw/zinc/73/11/04/1080731104.db2.gz VIKZYNNYJLJODR-SJLPKXTDSA-N 2 2 416.522 0.570 20 0 HCADLP CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640294 1080731095 /nfs/dbraw/zinc/73/10/95/1080731095.db2.gz VIKZYNNYJLJODR-SJLPKXTDSA-N 2 2 416.522 0.570 20 0 HCADLP CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640296 1080728835 /nfs/dbraw/zinc/72/88/35/1080728835.db2.gz VIKZYNNYJLJODR-WMZOPIPTSA-N 2 2 416.522 0.570 20 0 HCADLP CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640296 1080728826 /nfs/dbraw/zinc/72/88/26/1080728826.db2.gz VIKZYNNYJLJODR-WMZOPIPTSA-N 2 2 416.522 0.570 20 0 HCADLP Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640350 1080728781 /nfs/dbraw/zinc/72/87/81/1080728781.db2.gz BMMIPIVKMFPTPY-AEFFLSMTSA-N 2 2 420.583 0.321 20 0 HCADLP Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640350 1080728774 /nfs/dbraw/zinc/72/87/74/1080728774.db2.gz BMMIPIVKMFPTPY-AEFFLSMTSA-N 2 2 420.583 0.321 20 0 HCADLP Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640351 1080728160 /nfs/dbraw/zinc/72/81/60/1080728160.db2.gz BMMIPIVKMFPTPY-FUHWJXTLSA-N 2 2 420.583 0.321 20 0 HCADLP Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640351 1080728149 /nfs/dbraw/zinc/72/81/49/1080728149.db2.gz BMMIPIVKMFPTPY-FUHWJXTLSA-N 2 2 420.583 0.321 20 0 HCADLP Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640352 1080728531 /nfs/dbraw/zinc/72/85/31/1080728531.db2.gz BMMIPIVKMFPTPY-SJLPKXTDSA-N 2 2 420.583 0.321 20 0 HCADLP Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640352 1080728519 /nfs/dbraw/zinc/72/85/19/1080728519.db2.gz BMMIPIVKMFPTPY-SJLPKXTDSA-N 2 2 420.583 0.321 20 0 HCADLP Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640353 1080728967 /nfs/dbraw/zinc/72/89/67/1080728967.db2.gz BMMIPIVKMFPTPY-WMZOPIPTSA-N 2 2 420.583 0.321 20 0 HCADLP Cn1cc([C@@H]2CSCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640353 1080728957 /nfs/dbraw/zinc/72/89/57/1080728957.db2.gz BMMIPIVKMFPTPY-WMZOPIPTSA-N 2 2 420.583 0.321 20 0 HCADLP CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640384 1080728367 /nfs/dbraw/zinc/72/83/67/1080728367.db2.gz ZPZCFVCHBZCQGK-MSOLQXFVSA-N 2 2 416.570 0.722 20 0 HCADLP CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640384 1080728357 /nfs/dbraw/zinc/72/83/57/1080728357.db2.gz ZPZCFVCHBZCQGK-MSOLQXFVSA-N 2 2 416.570 0.722 20 0 HCADLP CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640389 1080728614 /nfs/dbraw/zinc/72/86/14/1080728614.db2.gz ZPZCFVCHBZCQGK-QZTJIDSGSA-N 2 2 416.570 0.722 20 0 HCADLP CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640389 1080728595 /nfs/dbraw/zinc/72/85/95/1080728595.db2.gz ZPZCFVCHBZCQGK-QZTJIDSGSA-N 2 2 416.570 0.722 20 0 HCADLP CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640391 1080729842 /nfs/dbraw/zinc/72/98/42/1080729842.db2.gz ZPZCFVCHBZCQGK-ROUUACIJSA-N 2 2 416.570 0.722 20 0 HCADLP CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640391 1080729832 /nfs/dbraw/zinc/72/98/32/1080729832.db2.gz ZPZCFVCHBZCQGK-ROUUACIJSA-N 2 2 416.570 0.722 20 0 HCADLP CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640392 1080729479 /nfs/dbraw/zinc/72/94/79/1080729479.db2.gz ZPZCFVCHBZCQGK-ZWKOTPCHSA-N 2 2 416.570 0.722 20 0 HCADLP CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000672640392 1080729470 /nfs/dbraw/zinc/72/94/70/1080729470.db2.gz ZPZCFVCHBZCQGK-ZWKOTPCHSA-N 2 2 416.570 0.722 20 0 HCADLP COc1cc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000672640415 1080730155 /nfs/dbraw/zinc/73/01/55/1080730155.db2.gz DJUNYWYCRBWTSR-GOSISDBHSA-N 2 2 402.539 0.947 20 0 HCADLP COc1cc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000672640415 1080730141 /nfs/dbraw/zinc/73/01/41/1080730141.db2.gz DJUNYWYCRBWTSR-GOSISDBHSA-N 2 2 402.539 0.947 20 0 HCADLP COc1cc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000672640416 1080730499 /nfs/dbraw/zinc/73/04/99/1080730499.db2.gz DJUNYWYCRBWTSR-SFHVURJKSA-N 2 2 402.539 0.947 20 0 HCADLP COc1cc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000672640416 1080730489 /nfs/dbraw/zinc/73/04/89/1080730489.db2.gz DJUNYWYCRBWTSR-SFHVURJKSA-N 2 2 402.539 0.947 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4cccs4)C3)C2)CC1 ZINC000672640438 1080729555 /nfs/dbraw/zinc/72/95/55/1080729555.db2.gz IURQVNJVEDITJY-DOTOQJQBSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4cccs4)C3)C2)CC1 ZINC000672640438 1080729539 /nfs/dbraw/zinc/72/95/39/1080729539.db2.gz IURQVNJVEDITJY-DOTOQJQBSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4cccs4)C3)C2)CC1 ZINC000672640439 1080730356 /nfs/dbraw/zinc/73/03/56/1080730356.db2.gz IURQVNJVEDITJY-NVXWUHKLSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4cccs4)C3)C2)CC1 ZINC000672640439 1080730346 /nfs/dbraw/zinc/73/03/46/1080730346.db2.gz IURQVNJVEDITJY-NVXWUHKLSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4cccs4)C3)C2)CC1 ZINC000672640440 1080730568 /nfs/dbraw/zinc/73/05/68/1080730568.db2.gz IURQVNJVEDITJY-RDJZCZTQSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4cccs4)C3)C2)CC1 ZINC000672640440 1080730554 /nfs/dbraw/zinc/73/05/54/1080730554.db2.gz IURQVNJVEDITJY-RDJZCZTQSA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4cccs4)C3)C2)CC1 ZINC000672640441 1080729086 /nfs/dbraw/zinc/72/90/86/1080729086.db2.gz IURQVNJVEDITJY-WBVHZDCISA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4cccs4)C3)C2)CC1 ZINC000672640441 1080729074 /nfs/dbraw/zinc/72/90/74/1080729074.db2.gz IURQVNJVEDITJY-WBVHZDCISA-N 2 2 406.552 0.933 20 0 HCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640455 1080728884 /nfs/dbraw/zinc/72/88/84/1080728884.db2.gz JAQVQUGEUGWGPN-KRWDZBQOSA-N 3 2 405.543 0.455 20 0 HCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640455 1080728874 /nfs/dbraw/zinc/72/88/74/1080728874.db2.gz JAQVQUGEUGWGPN-KRWDZBQOSA-N 3 2 405.543 0.455 20 0 HCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640456 1080728679 /nfs/dbraw/zinc/72/86/79/1080728679.db2.gz JAQVQUGEUGWGPN-QGZVFWFLSA-N 3 2 405.543 0.455 20 0 HCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640456 1080728664 /nfs/dbraw/zinc/72/86/64/1080728664.db2.gz JAQVQUGEUGWGPN-QGZVFWFLSA-N 3 2 405.543 0.455 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)C2)CC1 ZINC000672640574 1080734399 /nfs/dbraw/zinc/73/43/99/1080734399.db2.gz XSWIXROWYWLSMZ-AZUAARDMSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)C2)CC1 ZINC000672640574 1080734389 /nfs/dbraw/zinc/73/43/89/1080734389.db2.gz XSWIXROWYWLSMZ-AZUAARDMSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccccc3)C2)CC1 ZINC000672640575 1080734881 /nfs/dbraw/zinc/73/48/81/1080734881.db2.gz XSWIXROWYWLSMZ-ICSRJNTNSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccccc3)C2)CC1 ZINC000672640575 1080734871 /nfs/dbraw/zinc/73/48/71/1080734871.db2.gz XSWIXROWYWLSMZ-ICSRJNTNSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccccc3)C2)CC1 ZINC000672640577 1080733926 /nfs/dbraw/zinc/73/39/26/1080733926.db2.gz XSWIXROWYWLSMZ-QUCCMNQESA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccccc3)C2)CC1 ZINC000672640577 1080733920 /nfs/dbraw/zinc/73/39/20/1080733920.db2.gz XSWIXROWYWLSMZ-QUCCMNQESA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)C2)CC1 ZINC000672640578 1080734946 /nfs/dbraw/zinc/73/49/46/1080734946.db2.gz XSWIXROWYWLSMZ-UYAOXDASSA-N 2 2 400.523 0.871 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)C2)CC1 ZINC000672640578 1080734940 /nfs/dbraw/zinc/73/49/40/1080734940.db2.gz XSWIXROWYWLSMZ-UYAOXDASSA-N 2 2 400.523 0.871 20 0 HCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640617 1080738326 /nfs/dbraw/zinc/73/83/26/1080738326.db2.gz YRHVQDLICJDMIS-AEFFLSMTSA-N 2 2 404.559 0.889 20 0 HCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640617 1080738316 /nfs/dbraw/zinc/73/83/16/1080738316.db2.gz YRHVQDLICJDMIS-AEFFLSMTSA-N 2 2 404.559 0.889 20 0 HCADLP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640618 1080738639 /nfs/dbraw/zinc/73/86/39/1080738639.db2.gz YRHVQDLICJDMIS-FUHWJXTLSA-N 2 2 404.559 0.889 20 0 HCADLP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640618 1080738633 /nfs/dbraw/zinc/73/86/33/1080738633.db2.gz YRHVQDLICJDMIS-FUHWJXTLSA-N 2 2 404.559 0.889 20 0 HCADLP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640619 1080738118 /nfs/dbraw/zinc/73/81/18/1080738118.db2.gz YRHVQDLICJDMIS-SJLPKXTDSA-N 2 2 404.559 0.889 20 0 HCADLP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640619 1080738109 /nfs/dbraw/zinc/73/81/09/1080738109.db2.gz YRHVQDLICJDMIS-SJLPKXTDSA-N 2 2 404.559 0.889 20 0 HCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640620 1080738674 /nfs/dbraw/zinc/73/86/74/1080738674.db2.gz YRHVQDLICJDMIS-WMZOPIPTSA-N 2 2 404.559 0.889 20 0 HCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(C)nn(C)c1C ZINC000672640620 1080738667 /nfs/dbraw/zinc/73/86/67/1080738667.db2.gz YRHVQDLICJDMIS-WMZOPIPTSA-N 2 2 404.559 0.889 20 0 HCADLP CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640683 1080738385 /nfs/dbraw/zinc/73/83/85/1080738385.db2.gz GIRNUANYVKBKBT-MSOLQXFVSA-N 2 2 421.586 0.282 20 0 HCADLP CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640683 1080738370 /nfs/dbraw/zinc/73/83/70/1080738370.db2.gz GIRNUANYVKBKBT-MSOLQXFVSA-N 2 2 421.586 0.282 20 0 HCADLP CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640684 1080738283 /nfs/dbraw/zinc/73/82/83/1080738283.db2.gz GIRNUANYVKBKBT-QZTJIDSGSA-N 2 2 421.586 0.282 20 0 HCADLP CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640684 1080738278 /nfs/dbraw/zinc/73/82/78/1080738278.db2.gz GIRNUANYVKBKBT-QZTJIDSGSA-N 2 2 421.586 0.282 20 0 HCADLP CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640685 1080738833 /nfs/dbraw/zinc/73/88/33/1080738833.db2.gz GIRNUANYVKBKBT-ROUUACIJSA-N 2 2 421.586 0.282 20 0 HCADLP CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640685 1080738827 /nfs/dbraw/zinc/73/88/27/1080738827.db2.gz GIRNUANYVKBKBT-ROUUACIJSA-N 2 2 421.586 0.282 20 0 HCADLP CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640686 1080738709 /nfs/dbraw/zinc/73/87/09/1080738709.db2.gz GIRNUANYVKBKBT-ZWKOTPCHSA-N 2 2 421.586 0.282 20 0 HCADLP CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640686 1080738704 /nfs/dbraw/zinc/73/87/04/1080738704.db2.gz GIRNUANYVKBKBT-ZWKOTPCHSA-N 2 2 421.586 0.282 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)C2)CC1 ZINC000672640755 1080738223 /nfs/dbraw/zinc/73/82/23/1080738223.db2.gz ZEXKWXYAIZVLGE-INIZCTEOSA-N 2 2 416.526 0.131 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)C2)CC1 ZINC000672640755 1080738220 /nfs/dbraw/zinc/73/82/20/1080738220.db2.gz ZEXKWXYAIZVLGE-INIZCTEOSA-N 2 2 416.526 0.131 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)C2)CC1 ZINC000672640756 1080737979 /nfs/dbraw/zinc/73/79/79/1080737979.db2.gz ZEXKWXYAIZVLGE-MRXNPFEDSA-N 2 2 416.526 0.131 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(Oc4cnccn4)CC3)C2)CC1 ZINC000672640756 1080737966 /nfs/dbraw/zinc/73/79/66/1080737966.db2.gz ZEXKWXYAIZVLGE-MRXNPFEDSA-N 2 2 416.526 0.131 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ncnn3-c3ccccc3)C2)CC1 ZINC000672640775 1080738865 /nfs/dbraw/zinc/73/88/65/1080738865.db2.gz ZQXXLUVYMNFMDQ-INIZCTEOSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ncnn3-c3ccccc3)C2)CC1 ZINC000672640775 1080738859 /nfs/dbraw/zinc/73/88/59/1080738859.db2.gz ZQXXLUVYMNFMDQ-INIZCTEOSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ncnn3-c3ccccc3)C2)CC1 ZINC000672640776 1080738793 /nfs/dbraw/zinc/73/87/93/1080738793.db2.gz ZQXXLUVYMNFMDQ-MRXNPFEDSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ncnn3-c3ccccc3)C2)CC1 ZINC000672640776 1080738785 /nfs/dbraw/zinc/73/87/85/1080738785.db2.gz ZQXXLUVYMNFMDQ-MRXNPFEDSA-N 2 2 411.510 0.168 20 0 HCADLP COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640852 1080738751 /nfs/dbraw/zinc/73/87/51/1080738751.db2.gz CMKJOUJNUYWVNU-DLBZAZTESA-N 2 2 406.527 0.628 20 0 HCADLP COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640852 1080738743 /nfs/dbraw/zinc/73/87/43/1080738743.db2.gz CMKJOUJNUYWVNU-DLBZAZTESA-N 2 2 406.527 0.628 20 0 HCADLP COCC[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640853 1080737905 /nfs/dbraw/zinc/73/79/05/1080737905.db2.gz CMKJOUJNUYWVNU-IAGOWNOFSA-N 2 2 406.527 0.628 20 0 HCADLP COCC[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640853 1080737890 /nfs/dbraw/zinc/73/78/90/1080737890.db2.gz CMKJOUJNUYWVNU-IAGOWNOFSA-N 2 2 406.527 0.628 20 0 HCADLP COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640855 1080738600 /nfs/dbraw/zinc/73/86/00/1080738600.db2.gz CMKJOUJNUYWVNU-IRXDYDNUSA-N 2 2 406.527 0.628 20 0 HCADLP COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640855 1080738591 /nfs/dbraw/zinc/73/85/91/1080738591.db2.gz CMKJOUJNUYWVNU-IRXDYDNUSA-N 2 2 406.527 0.628 20 0 HCADLP COCC[C@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640857 1080738491 /nfs/dbraw/zinc/73/84/91/1080738491.db2.gz CMKJOUJNUYWVNU-SJORKVTESA-N 2 2 406.527 0.628 20 0 HCADLP COCC[C@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640857 1080738483 /nfs/dbraw/zinc/73/84/83/1080738483.db2.gz CMKJOUJNUYWVNU-SJORKVTESA-N 2 2 406.527 0.628 20 0 HCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640940 1080737586 /nfs/dbraw/zinc/73/75/86/1080737586.db2.gz MMADGXYTSJBJSK-AEFFLSMTSA-N 2 2 404.559 0.561 20 0 HCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640940 1080737578 /nfs/dbraw/zinc/73/75/78/1080737578.db2.gz MMADGXYTSJBJSK-AEFFLSMTSA-N 2 2 404.559 0.561 20 0 HCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640943 1080737370 /nfs/dbraw/zinc/73/73/70/1080737370.db2.gz MMADGXYTSJBJSK-FUHWJXTLSA-N 2 2 404.559 0.561 20 0 HCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640943 1080737357 /nfs/dbraw/zinc/73/73/57/1080737357.db2.gz MMADGXYTSJBJSK-FUHWJXTLSA-N 2 2 404.559 0.561 20 0 HCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640945 1080736895 /nfs/dbraw/zinc/73/68/95/1080736895.db2.gz MMADGXYTSJBJSK-SJLPKXTDSA-N 2 2 404.559 0.561 20 0 HCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640945 1080736891 /nfs/dbraw/zinc/73/68/91/1080736891.db2.gz MMADGXYTSJBJSK-SJLPKXTDSA-N 2 2 404.559 0.561 20 0 HCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640946 1080737070 /nfs/dbraw/zinc/73/70/70/1080737070.db2.gz MMADGXYTSJBJSK-WMZOPIPTSA-N 2 2 404.559 0.561 20 0 HCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000672640946 1080737064 /nfs/dbraw/zinc/73/70/64/1080737064.db2.gz MMADGXYTSJBJSK-WMZOPIPTSA-N 2 2 404.559 0.561 20 0 HCADLP COCCN(Cc1cccnc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640950 1080737226 /nfs/dbraw/zinc/73/72/26/1080737226.db2.gz MMVSEEHLYKOURR-GOSISDBHSA-N 2 2 403.527 0.341 20 0 HCADLP COCCN(Cc1cccnc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640950 1080737219 /nfs/dbraw/zinc/73/72/19/1080737219.db2.gz MMVSEEHLYKOURR-GOSISDBHSA-N 2 2 403.527 0.341 20 0 HCADLP COCCN(Cc1cccnc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640951 1080736850 /nfs/dbraw/zinc/73/68/50/1080736850.db2.gz MMVSEEHLYKOURR-SFHVURJKSA-N 2 2 403.527 0.341 20 0 HCADLP COCCN(Cc1cccnc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640951 1080736843 /nfs/dbraw/zinc/73/68/43/1080736843.db2.gz MMVSEEHLYKOURR-SFHVURJKSA-N 2 2 403.527 0.341 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)C2)CC1 ZINC000672641005 1080738436 /nfs/dbraw/zinc/73/84/36/1080738436.db2.gz JMMSKFFXJGTRPE-KRWDZBQOSA-N 2 2 418.517 0.154 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)C2)CC1 ZINC000672641005 1080738424 /nfs/dbraw/zinc/73/84/24/1080738424.db2.gz JMMSKFFXJGTRPE-KRWDZBQOSA-N 2 2 418.517 0.154 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)C2)CC1 ZINC000672641006 1080738062 /nfs/dbraw/zinc/73/80/62/1080738062.db2.gz JMMSKFFXJGTRPE-QGZVFWFLSA-N 2 2 418.517 0.154 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)C2)CC1 ZINC000672641006 1080738045 /nfs/dbraw/zinc/73/80/45/1080738045.db2.gz JMMSKFFXJGTRPE-QGZVFWFLSA-N 2 2 418.517 0.154 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCO)[C@@H]3CCc4ccccc43)C2)CC1 ZINC000672641023 1080738176 /nfs/dbraw/zinc/73/81/76/1080738176.db2.gz KCFHRMMWZLECGU-GHTZIAJQSA-N 2 2 414.550 0.780 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCO)[C@@H]3CCc4ccccc43)C2)CC1 ZINC000672641023 1080738167 /nfs/dbraw/zinc/73/81/67/1080738167.db2.gz KCFHRMMWZLECGU-GHTZIAJQSA-N 2 2 414.550 0.780 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)[C@H]3CCc4ccccc43)C2)CC1 ZINC000672641024 1080738550 /nfs/dbraw/zinc/73/85/50/1080738550.db2.gz KCFHRMMWZLECGU-NQIIRXRSSA-N 2 2 414.550 0.780 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)[C@H]3CCc4ccccc43)C2)CC1 ZINC000672641024 1080738537 /nfs/dbraw/zinc/73/85/37/1080738537.db2.gz KCFHRMMWZLECGU-NQIIRXRSSA-N 2 2 414.550 0.780 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCO)[C@H]3CCc4ccccc43)C2)CC1 ZINC000672641025 1080736754 /nfs/dbraw/zinc/73/67/54/1080736754.db2.gz KCFHRMMWZLECGU-RXVVDRJESA-N 2 2 414.550 0.780 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCO)[C@H]3CCc4ccccc43)C2)CC1 ZINC000672641025 1080736736 /nfs/dbraw/zinc/73/67/36/1080736736.db2.gz KCFHRMMWZLECGU-RXVVDRJESA-N 2 2 414.550 0.780 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)[C@@H]3CCc4ccccc43)C2)CC1 ZINC000672641026 1080736964 /nfs/dbraw/zinc/73/69/64/1080736964.db2.gz KCFHRMMWZLECGU-WIYYLYMNSA-N 2 2 414.550 0.780 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)[C@@H]3CCc4ccccc43)C2)CC1 ZINC000672641026 1080736957 /nfs/dbraw/zinc/73/69/57/1080736957.db2.gz KCFHRMMWZLECGU-WIYYLYMNSA-N 2 2 414.550 0.780 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2)CC1 ZINC000672641128 1080736809 /nfs/dbraw/zinc/73/68/09/1080736809.db2.gz NGSLPRZBSQMDIO-KRWDZBQOSA-N 2 2 408.543 0.069 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2)CC1 ZINC000672641128 1080736800 /nfs/dbraw/zinc/73/68/00/1080736800.db2.gz NGSLPRZBSQMDIO-KRWDZBQOSA-N 2 2 408.543 0.069 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2)CC1 ZINC000672641130 1080737301 /nfs/dbraw/zinc/73/73/01/1080737301.db2.gz NGSLPRZBSQMDIO-QGZVFWFLSA-N 2 2 408.543 0.069 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCOCC4)CC3)C2)CC1 ZINC000672641130 1080737284 /nfs/dbraw/zinc/73/72/84/1080737284.db2.gz NGSLPRZBSQMDIO-QGZVFWFLSA-N 2 2 408.543 0.069 20 0 HCADLP Cc1csc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672641215 1080735343 /nfs/dbraw/zinc/73/53/43/1080735343.db2.gz NPCXCMVFDWJTBH-INIZCTEOSA-N 2 2 420.583 0.385 20 0 HCADLP Cc1csc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672641215 1080735328 /nfs/dbraw/zinc/73/53/28/1080735328.db2.gz NPCXCMVFDWJTBH-INIZCTEOSA-N 2 2 420.583 0.385 20 0 HCADLP Cc1csc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672641216 1080735684 /nfs/dbraw/zinc/73/56/84/1080735684.db2.gz NPCXCMVFDWJTBH-MRXNPFEDSA-N 2 2 420.583 0.385 20 0 HCADLP Cc1csc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672641216 1080735670 /nfs/dbraw/zinc/73/56/70/1080735670.db2.gz NPCXCMVFDWJTBH-MRXNPFEDSA-N 2 2 420.583 0.385 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000672641243 1080735411 /nfs/dbraw/zinc/73/54/11/1080735411.db2.gz OPNAIEMDQAHJKG-AWEZNQCLSA-N 2 2 416.448 0.346 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000672641243 1080735400 /nfs/dbraw/zinc/73/54/00/1080735400.db2.gz OPNAIEMDQAHJKG-AWEZNQCLSA-N 2 2 416.448 0.346 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000672641244 1080735458 /nfs/dbraw/zinc/73/54/58/1080735458.db2.gz OPNAIEMDQAHJKG-CQSZACIVSA-N 2 2 416.448 0.346 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000672641244 1080735450 /nfs/dbraw/zinc/73/54/50/1080735450.db2.gz OPNAIEMDQAHJKG-CQSZACIVSA-N 2 2 416.448 0.346 20 0 HCADLP CN(CCN(C)c1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641250 1080737132 /nfs/dbraw/zinc/73/71/32/1080737132.db2.gz ODZPYEACPMKZOZ-GOSISDBHSA-N 2 2 401.555 0.866 20 0 HCADLP CN(CCN(C)c1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641250 1080737118 /nfs/dbraw/zinc/73/71/18/1080737118.db2.gz ODZPYEACPMKZOZ-GOSISDBHSA-N 2 2 401.555 0.866 20 0 HCADLP CN(CCN(C)c1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641254 1080737488 /nfs/dbraw/zinc/73/74/88/1080737488.db2.gz ODZPYEACPMKZOZ-SFHVURJKSA-N 2 2 401.555 0.866 20 0 HCADLP CN(CCN(C)c1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641254 1080737483 /nfs/dbraw/zinc/73/74/83/1080737483.db2.gz ODZPYEACPMKZOZ-SFHVURJKSA-N 2 2 401.555 0.866 20 0 HCADLP Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641291 1080737542 /nfs/dbraw/zinc/73/75/42/1080737542.db2.gz OPUNIZGCQXYKLV-KRWDZBQOSA-N 2 2 404.559 0.370 20 0 HCADLP Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641291 1080737532 /nfs/dbraw/zinc/73/75/32/1080737532.db2.gz OPUNIZGCQXYKLV-KRWDZBQOSA-N 2 2 404.559 0.370 20 0 HCADLP Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641292 1080737442 /nfs/dbraw/zinc/73/74/42/1080737442.db2.gz OPUNIZGCQXYKLV-QGZVFWFLSA-N 2 2 404.559 0.370 20 0 HCADLP Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641292 1080737423 /nfs/dbraw/zinc/73/74/23/1080737423.db2.gz OPUNIZGCQXYKLV-QGZVFWFLSA-N 2 2 404.559 0.370 20 0 HCADLP COCCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641303 1080737032 /nfs/dbraw/zinc/73/70/32/1080737032.db2.gz OWVWPXJEELWMGL-FQEVSTJZSA-N 2 2 416.566 0.989 20 0 HCADLP COCCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641303 1080737027 /nfs/dbraw/zinc/73/70/27/1080737027.db2.gz OWVWPXJEELWMGL-FQEVSTJZSA-N 2 2 416.566 0.989 20 0 HCADLP COCCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641304 1080736924 /nfs/dbraw/zinc/73/69/24/1080736924.db2.gz OWVWPXJEELWMGL-HXUWFJFHSA-N 2 2 416.566 0.989 20 0 HCADLP COCCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641304 1080736917 /nfs/dbraw/zinc/73/69/17/1080736917.db2.gz OWVWPXJEELWMGL-HXUWFJFHSA-N 2 2 416.566 0.989 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641321 1080736265 /nfs/dbraw/zinc/73/62/65/1080736265.db2.gz PWEIRKHCLUVQAC-INIZCTEOSA-N 2 2 410.584 0.396 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641321 1080736251 /nfs/dbraw/zinc/73/62/51/1080736251.db2.gz PWEIRKHCLUVQAC-INIZCTEOSA-N 2 2 410.584 0.396 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641322 1080736380 /nfs/dbraw/zinc/73/63/80/1080736380.db2.gz PWEIRKHCLUVQAC-MRXNPFEDSA-N 2 2 410.584 0.396 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641322 1080736366 /nfs/dbraw/zinc/73/63/66/1080736366.db2.gz PWEIRKHCLUVQAC-MRXNPFEDSA-N 2 2 410.584 0.396 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2)CC1 ZINC000672641324 1080736022 /nfs/dbraw/zinc/73/60/22/1080736022.db2.gz PHYMFJZNKNLDSY-FXAWDEMLSA-N 2 2 400.523 0.389 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2)CC1 ZINC000672641324 1080736015 /nfs/dbraw/zinc/73/60/15/1080736015.db2.gz PHYMFJZNKNLDSY-FXAWDEMLSA-N 2 2 400.523 0.389 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)C2)CC1 ZINC000672641327 1080735528 /nfs/dbraw/zinc/73/55/28/1080735528.db2.gz PHYMFJZNKNLDSY-PXNSSMCTSA-N 2 2 400.523 0.389 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)C2)CC1 ZINC000672641327 1080735518 /nfs/dbraw/zinc/73/55/18/1080735518.db2.gz PHYMFJZNKNLDSY-PXNSSMCTSA-N 2 2 400.523 0.389 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)C2)CC1 ZINC000672641329 1080735611 /nfs/dbraw/zinc/73/56/11/1080735611.db2.gz PHYMFJZNKNLDSY-XLIONFOSSA-N 2 2 400.523 0.389 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)C2)CC1 ZINC000672641329 1080735602 /nfs/dbraw/zinc/73/56/02/1080735602.db2.gz PHYMFJZNKNLDSY-XLIONFOSSA-N 2 2 400.523 0.389 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2)CC1 ZINC000672641330 1080735743 /nfs/dbraw/zinc/73/57/43/1080735743.db2.gz PHYMFJZNKNLDSY-YLJYHZDGSA-N 2 2 400.523 0.389 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2)CC1 ZINC000672641330 1080735731 /nfs/dbraw/zinc/73/57/31/1080735731.db2.gz PHYMFJZNKNLDSY-YLJYHZDGSA-N 2 2 400.523 0.389 20 0 HCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641345 1080736212 /nfs/dbraw/zinc/73/62/12/1080736212.db2.gz PMLRRUUADXKHDS-DLBZAZTESA-N 2 2 408.543 0.068 20 0 HCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641345 1080736198 /nfs/dbraw/zinc/73/61/98/1080736198.db2.gz PMLRRUUADXKHDS-DLBZAZTESA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641347 1080735814 /nfs/dbraw/zinc/73/58/14/1080735814.db2.gz PMLRRUUADXKHDS-IAGOWNOFSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641347 1080735801 /nfs/dbraw/zinc/73/58/01/1080735801.db2.gz PMLRRUUADXKHDS-IAGOWNOFSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641349 1080735494 /nfs/dbraw/zinc/73/54/94/1080735494.db2.gz PMLRRUUADXKHDS-IRXDYDNUSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641349 1080735485 /nfs/dbraw/zinc/73/54/85/1080735485.db2.gz PMLRRUUADXKHDS-IRXDYDNUSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641351 1080736086 /nfs/dbraw/zinc/73/60/86/1080736086.db2.gz PMLRRUUADXKHDS-SJORKVTESA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC2(CCOCC2)O1 ZINC000672641351 1080736071 /nfs/dbraw/zinc/73/60/71/1080736071.db2.gz PMLRRUUADXKHDS-SJORKVTESA-N 2 2 408.543 0.068 20 0 HCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641457 1080736326 /nfs/dbraw/zinc/73/63/26/1080736326.db2.gz RVFNZPFYMMHLLA-IBGZPJMESA-N 3 2 423.602 0.277 20 0 HCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641457 1080736315 /nfs/dbraw/zinc/73/63/15/1080736315.db2.gz RVFNZPFYMMHLLA-IBGZPJMESA-N 3 2 423.602 0.277 20 0 HCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641458 1080735969 /nfs/dbraw/zinc/73/59/69/1080735969.db2.gz RVFNZPFYMMHLLA-LJQANCHMSA-N 3 2 423.602 0.277 20 0 HCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641458 1080735951 /nfs/dbraw/zinc/73/59/51/1080735951.db2.gz RVFNZPFYMMHLLA-LJQANCHMSA-N 3 2 423.602 0.277 20 0 HCADLP COCCN(Cc1ccc(C)o1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641531 1080734208 /nfs/dbraw/zinc/73/42/08/1080734208.db2.gz RDWXTGCDRPLBNK-KRWDZBQOSA-N 2 2 406.527 0.848 20 0 HCADLP COCCN(Cc1ccc(C)o1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641531 1080734189 /nfs/dbraw/zinc/73/41/89/1080734189.db2.gz RDWXTGCDRPLBNK-KRWDZBQOSA-N 2 2 406.527 0.848 20 0 HCADLP COCCN(Cc1ccc(C)o1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641532 1080733718 /nfs/dbraw/zinc/73/37/18/1080733718.db2.gz RDWXTGCDRPLBNK-QGZVFWFLSA-N 2 2 406.527 0.848 20 0 HCADLP COCCN(Cc1ccc(C)o1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641532 1080733699 /nfs/dbraw/zinc/73/36/99/1080733699.db2.gz RDWXTGCDRPLBNK-QGZVFWFLSA-N 2 2 406.527 0.848 20 0 HCADLP CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641544 1080736142 /nfs/dbraw/zinc/73/61/42/1080736142.db2.gz RFPKFLWIUCMUON-INIZCTEOSA-N 2 2 402.495 0.658 20 0 HCADLP CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641544 1080736130 /nfs/dbraw/zinc/73/61/30/1080736130.db2.gz RFPKFLWIUCMUON-INIZCTEOSA-N 2 2 402.495 0.658 20 0 HCADLP CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641546 1080735890 /nfs/dbraw/zinc/73/58/90/1080735890.db2.gz RFPKFLWIUCMUON-MRXNPFEDSA-N 2 2 402.495 0.658 20 0 HCADLP CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641546 1080735875 /nfs/dbraw/zinc/73/58/75/1080735875.db2.gz RFPKFLWIUCMUON-MRXNPFEDSA-N 2 2 402.495 0.658 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641633 1080742210 /nfs/dbraw/zinc/74/22/10/1080742210.db2.gz VCCBPZZQLKQKJH-CVEARBPZSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641633 1080742195 /nfs/dbraw/zinc/74/21/95/1080742195.db2.gz VCCBPZZQLKQKJH-CVEARBPZSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641634 1080742270 /nfs/dbraw/zinc/74/22/70/1080742270.db2.gz VCCBPZZQLKQKJH-HOTGVXAUSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641634 1080742259 /nfs/dbraw/zinc/74/22/59/1080742259.db2.gz VCCBPZZQLKQKJH-HOTGVXAUSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641635 1080741686 /nfs/dbraw/zinc/74/16/86/1080741686.db2.gz VCCBPZZQLKQKJH-HZPDHXFCSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641635 1080741671 /nfs/dbraw/zinc/74/16/71/1080741671.db2.gz VCCBPZZQLKQKJH-HZPDHXFCSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641636 1080741935 /nfs/dbraw/zinc/74/19/35/1080741935.db2.gz VCCBPZZQLKQKJH-JKSUJKDBSA-N 2 2 406.502 0.994 20 0 HCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)Oc1ccccc1F ZINC000672641636 1080741930 /nfs/dbraw/zinc/74/19/30/1080741930.db2.gz VCCBPZZQLKQKJH-JKSUJKDBSA-N 2 2 406.502 0.994 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672641664 1080741862 /nfs/dbraw/zinc/74/18/62/1080741862.db2.gz RSLIYYIOIMRLTH-HNNXBMFYSA-N 2 2 419.492 0.368 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672641664 1080741855 /nfs/dbraw/zinc/74/18/55/1080741855.db2.gz RSLIYYIOIMRLTH-HNNXBMFYSA-N 2 2 419.492 0.368 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672641665 1080742020 /nfs/dbraw/zinc/74/20/20/1080742020.db2.gz RSLIYYIOIMRLTH-OAHLLOKOSA-N 2 2 419.492 0.368 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672641665 1080742009 /nfs/dbraw/zinc/74/20/09/1080742009.db2.gz RSLIYYIOIMRLTH-OAHLLOKOSA-N 2 2 419.492 0.368 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000672641695 1080742337 /nfs/dbraw/zinc/74/23/37/1080742337.db2.gz WPHLCLGJPSGSFN-BLIXFSHQSA-N 2 2 408.543 0.068 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000672641695 1080742331 /nfs/dbraw/zinc/74/23/31/1080742331.db2.gz WPHLCLGJPSGSFN-BLIXFSHQSA-N 2 2 408.543 0.068 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000672641696 1080742543 /nfs/dbraw/zinc/74/25/43/1080742543.db2.gz WPHLCLGJPSGSFN-CDXJDZJCSA-N 2 2 408.543 0.068 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000672641696 1080742539 /nfs/dbraw/zinc/74/25/39/1080742539.db2.gz WPHLCLGJPSGSFN-CDXJDZJCSA-N 2 2 408.543 0.068 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000672641697 1080743332 /nfs/dbraw/zinc/74/33/32/1080743332.db2.gz WPHLCLGJPSGSFN-HGHGUNKESA-N 2 2 408.543 0.068 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000672641697 1080743316 /nfs/dbraw/zinc/74/33/16/1080743316.db2.gz WPHLCLGJPSGSFN-HGHGUNKESA-N 2 2 408.543 0.068 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000672641700 1080743581 /nfs/dbraw/zinc/74/35/81/1080743581.db2.gz WPHLCLGJPSGSFN-YRISNDGFSA-N 2 2 408.543 0.068 20 0 HCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000672641700 1080743571 /nfs/dbraw/zinc/74/35/71/1080743571.db2.gz WPHLCLGJPSGSFN-YRISNDGFSA-N 2 2 408.543 0.068 20 0 HCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)CCC(F)(F)F ZINC000672641765 1080740726 /nfs/dbraw/zinc/74/07/26/1080740726.db2.gz XCZILJSIVIDTKQ-HNNXBMFYSA-N 2 2 421.508 0.662 20 0 HCADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)CCC(F)(F)F ZINC000672641765 1080740720 /nfs/dbraw/zinc/74/07/20/1080740720.db2.gz XCZILJSIVIDTKQ-HNNXBMFYSA-N 2 2 421.508 0.662 20 0 HCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CCC(F)(F)F ZINC000672641766 1080740485 /nfs/dbraw/zinc/74/04/85/1080740485.db2.gz XCZILJSIVIDTKQ-OAHLLOKOSA-N 2 2 421.508 0.662 20 0 HCADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CCC(F)(F)F ZINC000672641766 1080740474 /nfs/dbraw/zinc/74/04/74/1080740474.db2.gz XCZILJSIVIDTKQ-OAHLLOKOSA-N 2 2 421.508 0.662 20 0 HCADLP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641791 1080740604 /nfs/dbraw/zinc/74/06/04/1080740604.db2.gz UBQYZOIEUJQJNJ-PBHICJAKSA-N 2 2 404.559 0.369 20 0 HCADLP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641791 1080740591 /nfs/dbraw/zinc/74/05/91/1080740591.db2.gz UBQYZOIEUJQJNJ-PBHICJAKSA-N 2 2 404.559 0.369 20 0 HCADLP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641794 1080741759 /nfs/dbraw/zinc/74/17/59/1080741759.db2.gz UBQYZOIEUJQJNJ-RHSMWYFYSA-N 2 2 404.559 0.369 20 0 HCADLP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641794 1080741747 /nfs/dbraw/zinc/74/17/47/1080741747.db2.gz UBQYZOIEUJQJNJ-RHSMWYFYSA-N 2 2 404.559 0.369 20 0 HCADLP Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641795 1080742077 /nfs/dbraw/zinc/74/20/77/1080742077.db2.gz UBQYZOIEUJQJNJ-WMLDXEAASA-N 2 2 404.559 0.369 20 0 HCADLP Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641795 1080742062 /nfs/dbraw/zinc/74/20/62/1080742062.db2.gz UBQYZOIEUJQJNJ-WMLDXEAASA-N 2 2 404.559 0.369 20 0 HCADLP Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641796 1080742430 /nfs/dbraw/zinc/74/24/30/1080742430.db2.gz UBQYZOIEUJQJNJ-YOEHRIQHSA-N 2 2 404.559 0.369 20 0 HCADLP Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641796 1080742414 /nfs/dbraw/zinc/74/24/14/1080742414.db2.gz UBQYZOIEUJQJNJ-YOEHRIQHSA-N 2 2 404.559 0.369 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641865 1080741973 /nfs/dbraw/zinc/74/19/73/1080741973.db2.gz YQWNQAKJRBPCRU-AZUAARDMSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641865 1080741968 /nfs/dbraw/zinc/74/19/68/1080741968.db2.gz YQWNQAKJRBPCRU-AZUAARDMSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641866 1080741814 /nfs/dbraw/zinc/74/18/14/1080741814.db2.gz YQWNQAKJRBPCRU-ICSRJNTNSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641866 1080741807 /nfs/dbraw/zinc/74/18/07/1080741807.db2.gz YQWNQAKJRBPCRU-ICSRJNTNSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641867 1080742133 /nfs/dbraw/zinc/74/21/33/1080742133.db2.gz YQWNQAKJRBPCRU-QUCCMNQESA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641867 1080742127 /nfs/dbraw/zinc/74/21/27/1080742127.db2.gz YQWNQAKJRBPCRU-QUCCMNQESA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641868 1080741894 /nfs/dbraw/zinc/74/18/94/1080741894.db2.gz YQWNQAKJRBPCRU-UYAOXDASSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641868 1080741889 /nfs/dbraw/zinc/74/18/89/1080741889.db2.gz YQWNQAKJRBPCRU-UYAOXDASSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cccc(O)c4)CC3)C2)CC1 ZINC000672641869 1080742489 /nfs/dbraw/zinc/74/24/89/1080742489.db2.gz YUCWXNXXEGPFKY-KRWDZBQOSA-N 2 2 415.538 0.326 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cccc(O)c4)CC3)C2)CC1 ZINC000672641869 1080742473 /nfs/dbraw/zinc/74/24/73/1080742473.db2.gz YUCWXNXXEGPFKY-KRWDZBQOSA-N 2 2 415.538 0.326 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(O)c4)CC3)C2)CC1 ZINC000672641870 1080742593 /nfs/dbraw/zinc/74/25/93/1080742593.db2.gz YUCWXNXXEGPFKY-QGZVFWFLSA-N 2 2 415.538 0.326 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(O)c4)CC3)C2)CC1 ZINC000672641870 1080742583 /nfs/dbraw/zinc/74/25/83/1080742583.db2.gz YUCWXNXXEGPFKY-QGZVFWFLSA-N 2 2 415.538 0.326 20 0 HCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641970 1080740677 /nfs/dbraw/zinc/74/06/77/1080740677.db2.gz UXEARVOLZKUWBK-GOSISDBHSA-N 2 2 423.602 0.088 20 0 HCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641971 1080740858 /nfs/dbraw/zinc/74/08/58/1080740858.db2.gz UXEARVOLZKUWBK-SFHVURJKSA-N 2 2 423.602 0.088 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4F)CC3)C2)CC1 ZINC000672641972 1080741000 /nfs/dbraw/zinc/74/10/00/1080741000.db2.gz VBJFPPMRIZAUEZ-INIZCTEOSA-N 2 2 418.517 0.154 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4F)CC3)C2)CC1 ZINC000672641972 1080740993 /nfs/dbraw/zinc/74/09/93/1080740993.db2.gz VBJFPPMRIZAUEZ-INIZCTEOSA-N 2 2 418.517 0.154 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4F)CC3)C2)CC1 ZINC000672641973 1080740845 /nfs/dbraw/zinc/74/08/45/1080740845.db2.gz VBJFPPMRIZAUEZ-MRXNPFEDSA-N 2 2 418.517 0.154 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4F)CC3)C2)CC1 ZINC000672641973 1080740840 /nfs/dbraw/zinc/74/08/40/1080740840.db2.gz VBJFPPMRIZAUEZ-MRXNPFEDSA-N 2 2 418.517 0.154 20 0 HCADLP C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642004 1080740443 /nfs/dbraw/zinc/74/04/43/1080740443.db2.gz VTOZLKSYZVBENZ-HKUYNNGSSA-N 2 2 402.539 0.681 20 0 HCADLP C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642004 1080740426 /nfs/dbraw/zinc/74/04/26/1080740426.db2.gz VTOZLKSYZVBENZ-HKUYNNGSSA-N 2 2 402.539 0.681 20 0 HCADLP C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642005 1080740950 /nfs/dbraw/zinc/74/09/50/1080740950.db2.gz VTOZLKSYZVBENZ-IEBWSBKVSA-N 2 2 402.539 0.681 20 0 HCADLP C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642005 1080740940 /nfs/dbraw/zinc/74/09/40/1080740940.db2.gz VTOZLKSYZVBENZ-IEBWSBKVSA-N 2 2 402.539 0.681 20 0 HCADLP C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642006 1080741168 /nfs/dbraw/zinc/74/11/68/1080741168.db2.gz VTOZLKSYZVBENZ-MJGOQNOKSA-N 2 2 402.539 0.681 20 0 HCADLP C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642006 1080741157 /nfs/dbraw/zinc/74/11/57/1080741157.db2.gz VTOZLKSYZVBENZ-MJGOQNOKSA-N 2 2 402.539 0.681 20 0 HCADLP C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642007 1080740776 /nfs/dbraw/zinc/74/07/76/1080740776.db2.gz VTOZLKSYZVBENZ-PKOBYXMFSA-N 2 2 402.539 0.681 20 0 HCADLP C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642007 1080740769 /nfs/dbraw/zinc/74/07/69/1080740769.db2.gz VTOZLKSYZVBENZ-PKOBYXMFSA-N 2 2 402.539 0.681 20 0 HCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672642132 1080740805 /nfs/dbraw/zinc/74/08/05/1080740805.db2.gz YNECREFZVOATOW-GOSISDBHSA-N 2 2 414.554 0.323 20 0 HCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000672642133 1080741198 /nfs/dbraw/zinc/74/11/98/1080741198.db2.gz YNECREFZVOATOW-SFHVURJKSA-N 2 2 414.554 0.323 20 0 HCADLP CC(C)c1ncc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672642181 1080741057 /nfs/dbraw/zinc/74/10/57/1080741057.db2.gz YSQVDWQEORHPNV-KRWDZBQOSA-N 2 2 402.543 0.843 20 0 HCADLP CC(C)c1ncc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672642181 1080741042 /nfs/dbraw/zinc/74/10/42/1080741042.db2.gz YSQVDWQEORHPNV-KRWDZBQOSA-N 2 2 402.543 0.843 20 0 HCADLP CC(C)c1ncc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672642182 1080740914 /nfs/dbraw/zinc/74/09/14/1080740914.db2.gz YSQVDWQEORHPNV-QGZVFWFLSA-N 2 2 402.543 0.843 20 0 HCADLP CC(C)c1ncc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672642182 1080740905 /nfs/dbraw/zinc/74/09/05/1080740905.db2.gz YSQVDWQEORHPNV-QGZVFWFLSA-N 2 2 402.543 0.843 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642368 1080739449 /nfs/dbraw/zinc/73/94/49/1080739449.db2.gz IEYZPNYSTNUMLZ-MSOLQXFVSA-N 2 2 419.570 0.178 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642368 1080739438 /nfs/dbraw/zinc/73/94/38/1080739438.db2.gz IEYZPNYSTNUMLZ-MSOLQXFVSA-N 2 2 419.570 0.178 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642369 1080739755 /nfs/dbraw/zinc/73/97/55/1080739755.db2.gz IEYZPNYSTNUMLZ-QZTJIDSGSA-N 2 2 419.570 0.178 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642369 1080739741 /nfs/dbraw/zinc/73/97/41/1080739741.db2.gz IEYZPNYSTNUMLZ-QZTJIDSGSA-N 2 2 419.570 0.178 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642370 1080739813 /nfs/dbraw/zinc/73/98/13/1080739813.db2.gz IEYZPNYSTNUMLZ-ROUUACIJSA-N 2 2 419.570 0.178 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642370 1080739801 /nfs/dbraw/zinc/73/98/01/1080739801.db2.gz IEYZPNYSTNUMLZ-ROUUACIJSA-N 2 2 419.570 0.178 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642371 1080739387 /nfs/dbraw/zinc/73/93/87/1080739387.db2.gz IEYZPNYSTNUMLZ-ZWKOTPCHSA-N 2 2 419.570 0.178 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)C2)CC1 ZINC000672642371 1080739377 /nfs/dbraw/zinc/73/93/77/1080739377.db2.gz IEYZPNYSTNUMLZ-ZWKOTPCHSA-N 2 2 419.570 0.178 20 0 HCADLP CNC(=O)C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642375 1080739509 /nfs/dbraw/zinc/73/95/09/1080739509.db2.gz IOGVYYRFFYYIHB-HKUYNNGSSA-N 2 2 415.538 0.265 20 0 HCADLP CNC(=O)C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642375 1080739502 /nfs/dbraw/zinc/73/95/02/1080739502.db2.gz IOGVYYRFFYYIHB-HKUYNNGSSA-N 2 2 415.538 0.265 20 0 HCADLP CNC(=O)C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642376 1080739331 /nfs/dbraw/zinc/73/93/31/1080739331.db2.gz IOGVYYRFFYYIHB-IEBWSBKVSA-N 2 2 415.538 0.265 20 0 HCADLP CNC(=O)C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642376 1080739320 /nfs/dbraw/zinc/73/93/20/1080739320.db2.gz IOGVYYRFFYYIHB-IEBWSBKVSA-N 2 2 415.538 0.265 20 0 HCADLP CNC(=O)C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642377 1080739983 /nfs/dbraw/zinc/73/99/83/1080739983.db2.gz IOGVYYRFFYYIHB-MJGOQNOKSA-N 2 2 415.538 0.265 20 0 HCADLP CNC(=O)C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642377 1080739968 /nfs/dbraw/zinc/73/99/68/1080739968.db2.gz IOGVYYRFFYYIHB-MJGOQNOKSA-N 2 2 415.538 0.265 20 0 HCADLP CNC(=O)C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642378 1080739622 /nfs/dbraw/zinc/73/96/22/1080739622.db2.gz IOGVYYRFFYYIHB-PKOBYXMFSA-N 2 2 415.538 0.265 20 0 HCADLP CNC(=O)C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642378 1080739612 /nfs/dbraw/zinc/73/96/12/1080739612.db2.gz IOGVYYRFFYYIHB-PKOBYXMFSA-N 2 2 415.538 0.265 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)CC1 ZINC000672642472 1080740086 /nfs/dbraw/zinc/74/00/86/1080740086.db2.gz LQGWHEPCVUXKSK-GOSISDBHSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)CC1 ZINC000672642472 1080740074 /nfs/dbraw/zinc/74/00/74/1080740074.db2.gz LQGWHEPCVUXKSK-GOSISDBHSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)CC1 ZINC000672642473 1080739685 /nfs/dbraw/zinc/73/96/85/1080739685.db2.gz LQGWHEPCVUXKSK-SFHVURJKSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)CC1 ZINC000672642473 1080739672 /nfs/dbraw/zinc/73/96/72/1080739672.db2.gz LQGWHEPCVUXKSK-SFHVURJKSA-N 3 2 405.587 0.748 20 0 HCADLP CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642492 1080739866 /nfs/dbraw/zinc/73/98/66/1080739866.db2.gz MFJAINWFCBYUIQ-HNNXBMFYSA-N 2 2 404.559 0.446 20 0 HCADLP CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642492 1080739854 /nfs/dbraw/zinc/73/98/54/1080739854.db2.gz MFJAINWFCBYUIQ-HNNXBMFYSA-N 2 2 404.559 0.446 20 0 HCADLP CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642493 1080739200 /nfs/dbraw/zinc/73/92/00/1080739200.db2.gz MFJAINWFCBYUIQ-OAHLLOKOSA-N 2 2 404.559 0.446 20 0 HCADLP CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642493 1080739186 /nfs/dbraw/zinc/73/91/86/1080739186.db2.gz MFJAINWFCBYUIQ-OAHLLOKOSA-N 2 2 404.559 0.446 20 0 HCADLP COCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642546 1080739561 /nfs/dbraw/zinc/73/95/61/1080739561.db2.gz NNQFESLBCLUKKB-IBGZPJMESA-N 2 2 402.539 0.946 20 0 HCADLP COCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642546 1080739549 /nfs/dbraw/zinc/73/95/49/1080739549.db2.gz NNQFESLBCLUKKB-IBGZPJMESA-N 2 2 402.539 0.946 20 0 HCADLP COCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642547 1080740036 /nfs/dbraw/zinc/74/00/36/1080740036.db2.gz NNQFESLBCLUKKB-LJQANCHMSA-N 2 2 402.539 0.946 20 0 HCADLP COCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642547 1080740024 /nfs/dbraw/zinc/74/00/24/1080740024.db2.gz NNQFESLBCLUKKB-LJQANCHMSA-N 2 2 402.539 0.946 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCCOC2)O1 ZINC000672642586 1080743030 /nfs/dbraw/zinc/74/30/30/1080743030.db2.gz OBWVSIQUNDTYNL-CBGDNZLLSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCCOC2)O1 ZINC000672642586 1080743026 /nfs/dbraw/zinc/74/30/26/1080743026.db2.gz OBWVSIQUNDTYNL-CBGDNZLLSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCCOC2)O1 ZINC000672642587 1080743270 /nfs/dbraw/zinc/74/32/70/1080743270.db2.gz OBWVSIQUNDTYNL-LLGFUMIMSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCCOC2)O1 ZINC000672642587 1080743259 /nfs/dbraw/zinc/74/32/59/1080743259.db2.gz OBWVSIQUNDTYNL-LLGFUMIMSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCCOC2)O1 ZINC000672642588 1080743121 /nfs/dbraw/zinc/74/31/21/1080743121.db2.gz OBWVSIQUNDTYNL-LZJOCLMNSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCCOC2)O1 ZINC000672642588 1080743112 /nfs/dbraw/zinc/74/31/12/1080743112.db2.gz OBWVSIQUNDTYNL-LZJOCLMNSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCCOC2)O1 ZINC000672642589 1080743643 /nfs/dbraw/zinc/74/36/43/1080743643.db2.gz OBWVSIQUNDTYNL-WWMYMODYSA-N 2 2 408.543 0.068 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCCOC2)O1 ZINC000672642589 1080743630 /nfs/dbraw/zinc/74/36/30/1080743630.db2.gz OBWVSIQUNDTYNL-WWMYMODYSA-N 2 2 408.543 0.068 20 0 HCADLP CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642592 1080742981 /nfs/dbraw/zinc/74/29/81/1080742981.db2.gz OLDUVSKYORQPEJ-MSOLQXFVSA-N 2 2 421.586 0.426 20 0 HCADLP CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642592 1080742976 /nfs/dbraw/zinc/74/29/76/1080742976.db2.gz OLDUVSKYORQPEJ-MSOLQXFVSA-N 2 2 421.586 0.426 20 0 HCADLP CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642593 1080743512 /nfs/dbraw/zinc/74/35/12/1080743512.db2.gz OLDUVSKYORQPEJ-QZTJIDSGSA-N 2 2 421.586 0.426 20 0 HCADLP CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642593 1080743500 /nfs/dbraw/zinc/74/35/00/1080743500.db2.gz OLDUVSKYORQPEJ-QZTJIDSGSA-N 2 2 421.586 0.426 20 0 HCADLP CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642594 1080743214 /nfs/dbraw/zinc/74/32/14/1080743214.db2.gz OLDUVSKYORQPEJ-ROUUACIJSA-N 2 2 421.586 0.426 20 0 HCADLP CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642594 1080743205 /nfs/dbraw/zinc/74/32/05/1080743205.db2.gz OLDUVSKYORQPEJ-ROUUACIJSA-N 2 2 421.586 0.426 20 0 HCADLP CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642595 1080743062 /nfs/dbraw/zinc/74/30/62/1080743062.db2.gz OLDUVSKYORQPEJ-ZWKOTPCHSA-N 2 2 421.586 0.426 20 0 HCADLP CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642595 1080743058 /nfs/dbraw/zinc/74/30/58/1080743058.db2.gz OLDUVSKYORQPEJ-ZWKOTPCHSA-N 2 2 421.586 0.426 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3nncn3-c3ccccc3)C2)CC1 ZINC000672642630 1080742951 /nfs/dbraw/zinc/74/29/51/1080742951.db2.gz QGJNNACHVURULP-INIZCTEOSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3nncn3-c3ccccc3)C2)CC1 ZINC000672642630 1080742944 /nfs/dbraw/zinc/74/29/44/1080742944.db2.gz QGJNNACHVURULP-INIZCTEOSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3nncn3-c3ccccc3)C2)CC1 ZINC000672642631 1080746221 /nfs/dbraw/zinc/74/62/21/1080746221.db2.gz QGJNNACHVURULP-MRXNPFEDSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3nncn3-c3ccccc3)C2)CC1 ZINC000672642631 1080746210 /nfs/dbraw/zinc/74/62/10/1080746210.db2.gz QGJNNACHVURULP-MRXNPFEDSA-N 2 2 411.510 0.168 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)C2)CC1 ZINC000672642649 1080747412 /nfs/dbraw/zinc/74/74/12/1080747412.db2.gz RIDDNCGQSWLCOZ-KRWDZBQOSA-N 2 2 400.527 0.297 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)C2)CC1 ZINC000672642649 1080747403 /nfs/dbraw/zinc/74/74/03/1080747403.db2.gz RIDDNCGQSWLCOZ-KRWDZBQOSA-N 2 2 400.527 0.297 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)C2)CC1 ZINC000672642650 1080747487 /nfs/dbraw/zinc/74/74/87/1080747487.db2.gz RIDDNCGQSWLCOZ-QGZVFWFLSA-N 2 2 400.527 0.297 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)C2)CC1 ZINC000672642650 1080747472 /nfs/dbraw/zinc/74/74/72/1080747472.db2.gz RIDDNCGQSWLCOZ-QGZVFWFLSA-N 2 2 400.527 0.297 20 0 HCADLP C[C@H](O)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642728 1080747130 /nfs/dbraw/zinc/74/71/30/1080747130.db2.gz FWYDHXNIJAXLMH-DFQSSKMNSA-N 2 2 416.566 0.942 20 0 HCADLP C[C@H](O)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642728 1080747123 /nfs/dbraw/zinc/74/71/23/1080747123.db2.gz FWYDHXNIJAXLMH-DFQSSKMNSA-N 2 2 416.566 0.942 20 0 HCADLP C[C@H](O)C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642729 1080747838 /nfs/dbraw/zinc/74/78/38/1080747838.db2.gz FWYDHXNIJAXLMH-IHPCNDPISA-N 2 2 416.566 0.942 20 0 HCADLP C[C@H](O)C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642729 1080747826 /nfs/dbraw/zinc/74/78/26/1080747826.db2.gz FWYDHXNIJAXLMH-IHPCNDPISA-N 2 2 416.566 0.942 20 0 HCADLP C[C@H](O)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642730 1080747760 /nfs/dbraw/zinc/74/77/60/1080747760.db2.gz FWYDHXNIJAXLMH-SXLOBPIMSA-N 2 2 416.566 0.942 20 0 HCADLP C[C@H](O)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642730 1080747752 /nfs/dbraw/zinc/74/77/52/1080747752.db2.gz FWYDHXNIJAXLMH-SXLOBPIMSA-N 2 2 416.566 0.942 20 0 HCADLP C[C@H](O)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642731 1080747184 /nfs/dbraw/zinc/74/71/84/1080747184.db2.gz FWYDHXNIJAXLMH-YSIASYRMSA-N 2 2 416.566 0.942 20 0 HCADLP C[C@H](O)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000672642731 1080747177 /nfs/dbraw/zinc/74/71/77/1080747177.db2.gz FWYDHXNIJAXLMH-YSIASYRMSA-N 2 2 416.566 0.942 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000672642737 1080747655 /nfs/dbraw/zinc/74/76/55/1080747655.db2.gz GMBJOAAFXPNTLN-KRWDZBQOSA-N 2 2 417.529 0.759 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000672642737 1080747644 /nfs/dbraw/zinc/74/76/44/1080747644.db2.gz GMBJOAAFXPNTLN-KRWDZBQOSA-N 2 2 417.529 0.759 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000672642738 1080747017 /nfs/dbraw/zinc/74/70/17/1080747017.db2.gz GMBJOAAFXPNTLN-QGZVFWFLSA-N 2 2 417.529 0.759 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000672642738 1080747013 /nfs/dbraw/zinc/74/70/13/1080747013.db2.gz GMBJOAAFXPNTLN-QGZVFWFLSA-N 2 2 417.529 0.759 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C2)CC1 ZINC000672642739 1080747338 /nfs/dbraw/zinc/74/73/38/1080747338.db2.gz GRRQGGIUTHNKBU-KRWDZBQOSA-N 2 2 413.522 0.147 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C2)CC1 ZINC000672642739 1080747323 /nfs/dbraw/zinc/74/73/23/1080747323.db2.gz GRRQGGIUTHNKBU-KRWDZBQOSA-N 2 2 413.522 0.147 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C2)CC1 ZINC000672642740 1080747597 /nfs/dbraw/zinc/74/75/97/1080747597.db2.gz GRRQGGIUTHNKBU-QGZVFWFLSA-N 2 2 413.522 0.147 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C2)CC1 ZINC000672642740 1080747583 /nfs/dbraw/zinc/74/75/83/1080747583.db2.gz GRRQGGIUTHNKBU-QGZVFWFLSA-N 2 2 413.522 0.147 20 0 HCADLP COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642751 1080747077 /nfs/dbraw/zinc/74/70/77/1080747077.db2.gz HCYNDPICKGTQNC-BEFAXECRSA-N 2 2 416.522 0.920 20 0 HCADLP COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642751 1080747071 /nfs/dbraw/zinc/74/70/71/1080747071.db2.gz HCYNDPICKGTQNC-BEFAXECRSA-N 2 2 416.522 0.920 20 0 HCADLP COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642752 1080747232 /nfs/dbraw/zinc/74/72/32/1080747232.db2.gz HCYNDPICKGTQNC-DNVCBOLYSA-N 2 2 416.522 0.920 20 0 HCADLP COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642752 1080747225 /nfs/dbraw/zinc/74/72/25/1080747225.db2.gz HCYNDPICKGTQNC-DNVCBOLYSA-N 2 2 416.522 0.920 20 0 HCADLP COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642753 1080747538 /nfs/dbraw/zinc/74/75/38/1080747538.db2.gz HCYNDPICKGTQNC-HNAYVOBHSA-N 2 2 416.522 0.920 20 0 HCADLP COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642753 1080747527 /nfs/dbraw/zinc/74/75/27/1080747527.db2.gz HCYNDPICKGTQNC-HNAYVOBHSA-N 2 2 416.522 0.920 20 0 HCADLP COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642754 1080747891 /nfs/dbraw/zinc/74/78/91/1080747891.db2.gz HCYNDPICKGTQNC-KXBFYZLASA-N 2 2 416.522 0.920 20 0 HCADLP COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642754 1080747883 /nfs/dbraw/zinc/74/78/83/1080747883.db2.gz HCYNDPICKGTQNC-KXBFYZLASA-N 2 2 416.522 0.920 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)C2)CC1 ZINC000672642775 1080747709 /nfs/dbraw/zinc/74/77/09/1080747709.db2.gz IMSQWVVLQVEGSC-FTRWYGJKSA-N 2 2 410.584 0.442 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)C2)CC1 ZINC000672642775 1080747697 /nfs/dbraw/zinc/74/76/97/1080747697.db2.gz IMSQWVVLQVEGSC-FTRWYGJKSA-N 2 2 410.584 0.442 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)C2)CC1 ZINC000672642776 1080747285 /nfs/dbraw/zinc/74/72/85/1080747285.db2.gz IMSQWVVLQVEGSC-GQIGUUNPSA-N 2 2 410.584 0.442 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)C2)CC1 ZINC000672642776 1080747273 /nfs/dbraw/zinc/74/72/73/1080747273.db2.gz IMSQWVVLQVEGSC-GQIGUUNPSA-N 2 2 410.584 0.442 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)C2)CC1 ZINC000672642777 1080746555 /nfs/dbraw/zinc/74/65/55/1080746555.db2.gz IMSQWVVLQVEGSC-GUXCAODWSA-N 2 2 410.584 0.442 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)C2)CC1 ZINC000672642777 1080746543 /nfs/dbraw/zinc/74/65/43/1080746543.db2.gz IMSQWVVLQVEGSC-GUXCAODWSA-N 2 2 410.584 0.442 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)C2)CC1 ZINC000672642778 1080745596 /nfs/dbraw/zinc/74/55/96/1080745596.db2.gz IMSQWVVLQVEGSC-TWOQFEAHSA-N 2 2 410.584 0.442 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)C2)CC1 ZINC000672642778 1080745587 /nfs/dbraw/zinc/74/55/87/1080745587.db2.gz IMSQWVVLQVEGSC-TWOQFEAHSA-N 2 2 410.584 0.442 20 0 HCADLP C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642780 1080746392 /nfs/dbraw/zinc/74/63/92/1080746392.db2.gz IOYAPFGGKQTWNZ-BZLDKRAPSA-N 2 2 408.543 0.066 20 0 HCADLP C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642780 1080746385 /nfs/dbraw/zinc/74/63/85/1080746385.db2.gz IOYAPFGGKQTWNZ-BZLDKRAPSA-N 2 2 408.543 0.066 20 0 HCADLP COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642859 1080746502 /nfs/dbraw/zinc/74/65/02/1080746502.db2.gz XEPPVJURGZFLNO-CRAIPNDOSA-N 2 2 416.522 0.920 20 0 HCADLP COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642859 1080746490 /nfs/dbraw/zinc/74/64/90/1080746490.db2.gz XEPPVJURGZFLNO-CRAIPNDOSA-N 2 2 416.522 0.920 20 0 HCADLP COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642860 1080745795 /nfs/dbraw/zinc/74/57/95/1080745795.db2.gz XEPPVJURGZFLNO-MAUKXSAKSA-N 2 2 416.522 0.920 20 0 HCADLP COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642860 1080745780 /nfs/dbraw/zinc/74/57/80/1080745780.db2.gz XEPPVJURGZFLNO-MAUKXSAKSA-N 2 2 416.522 0.920 20 0 HCADLP COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642861 1080746449 /nfs/dbraw/zinc/74/64/49/1080746449.db2.gz XEPPVJURGZFLNO-QAPCUYQASA-N 2 2 416.522 0.920 20 0 HCADLP COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642861 1080746433 /nfs/dbraw/zinc/74/64/33/1080746433.db2.gz XEPPVJURGZFLNO-QAPCUYQASA-N 2 2 416.522 0.920 20 0 HCADLP COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642862 1080746002 /nfs/dbraw/zinc/74/60/02/1080746002.db2.gz XEPPVJURGZFLNO-YJBOKZPZSA-N 2 2 416.522 0.920 20 0 HCADLP COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642862 1080745994 /nfs/dbraw/zinc/74/59/94/1080745994.db2.gz XEPPVJURGZFLNO-YJBOKZPZSA-N 2 2 416.522 0.920 20 0 HCADLP C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642881 1080746077 /nfs/dbraw/zinc/74/60/77/1080746077.db2.gz IOYAPFGGKQTWNZ-KYFSNAEOSA-N 2 2 408.543 0.066 20 0 HCADLP C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642881 1080746063 /nfs/dbraw/zinc/74/60/63/1080746063.db2.gz IOYAPFGGKQTWNZ-KYFSNAEOSA-N 2 2 408.543 0.066 20 0 HCADLP C[C@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642882 1080746605 /nfs/dbraw/zinc/74/66/05/1080746605.db2.gz IOYAPFGGKQTWNZ-LHUKNYEISA-N 2 2 408.543 0.066 20 0 HCADLP C[C@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642882 1080746595 /nfs/dbraw/zinc/74/65/95/1080746595.db2.gz IOYAPFGGKQTWNZ-LHUKNYEISA-N 2 2 408.543 0.066 20 0 HCADLP C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642883 1080745729 /nfs/dbraw/zinc/74/57/29/1080745729.db2.gz IOYAPFGGKQTWNZ-WOYCLPQFSA-N 2 2 408.543 0.066 20 0 HCADLP C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C[C@@H](C)O2 ZINC000672642883 1080745719 /nfs/dbraw/zinc/74/57/19/1080745719.db2.gz IOYAPFGGKQTWNZ-WOYCLPQFSA-N 2 2 408.543 0.066 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672642972 1080744225 /nfs/dbraw/zinc/74/42/25/1080744225.db2.gz ZGDZVSAEHBWJOI-IBGZPJMESA-N 3 2 405.587 0.606 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672642972 1080744220 /nfs/dbraw/zinc/74/42/20/1080744220.db2.gz ZGDZVSAEHBWJOI-IBGZPJMESA-N 3 2 405.587 0.606 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672642974 1080744786 /nfs/dbraw/zinc/74/47/86/1080744786.db2.gz ZGDZVSAEHBWJOI-LJQANCHMSA-N 3 2 405.587 0.606 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672642974 1080744779 /nfs/dbraw/zinc/74/47/79/1080744779.db2.gz ZGDZVSAEHBWJOI-LJQANCHMSA-N 3 2 405.587 0.606 20 0 HCADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642976 1080744626 /nfs/dbraw/zinc/74/46/26/1080744626.db2.gz ZQEPDGBRRVFQFD-IBGZPJMESA-N 3 2 407.603 0.852 20 0 HCADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642976 1080744617 /nfs/dbraw/zinc/74/46/17/1080744617.db2.gz ZQEPDGBRRVFQFD-IBGZPJMESA-N 3 2 407.603 0.852 20 0 HCADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642978 1080744178 /nfs/dbraw/zinc/74/41/78/1080744178.db2.gz ZQEPDGBRRVFQFD-LJQANCHMSA-N 3 2 407.603 0.852 20 0 HCADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642978 1080744166 /nfs/dbraw/zinc/74/41/66/1080744166.db2.gz ZQEPDGBRRVFQFD-LJQANCHMSA-N 3 2 407.603 0.852 20 0 HCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643021 1080744741 /nfs/dbraw/zinc/74/47/41/1080744741.db2.gz MYVBSLZKSLPYQB-AZUAARDMSA-N 3 2 423.602 0.230 20 0 HCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643021 1080744737 /nfs/dbraw/zinc/74/47/37/1080744737.db2.gz MYVBSLZKSLPYQB-AZUAARDMSA-N 3 2 423.602 0.230 20 0 HCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643022 1080744984 /nfs/dbraw/zinc/74/49/84/1080744984.db2.gz MYVBSLZKSLPYQB-ICSRJNTNSA-N 3 2 423.602 0.230 20 0 HCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643022 1080744978 /nfs/dbraw/zinc/74/49/78/1080744978.db2.gz MYVBSLZKSLPYQB-ICSRJNTNSA-N 3 2 423.602 0.230 20 0 HCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643023 1080744701 /nfs/dbraw/zinc/74/47/01/1080744701.db2.gz MYVBSLZKSLPYQB-QUCCMNQESA-N 3 2 423.602 0.230 20 0 HCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643023 1080744691 /nfs/dbraw/zinc/74/46/91/1080744691.db2.gz MYVBSLZKSLPYQB-QUCCMNQESA-N 3 2 423.602 0.230 20 0 HCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643024 1080746147 /nfs/dbraw/zinc/74/61/47/1080746147.db2.gz MYVBSLZKSLPYQB-UYAOXDASSA-N 3 2 423.602 0.230 20 0 HCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643024 1080746129 /nfs/dbraw/zinc/74/61/29/1080746129.db2.gz MYVBSLZKSLPYQB-UYAOXDASSA-N 3 2 423.602 0.230 20 0 HCADLP COc1cccc(O[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672643030 1080745951 /nfs/dbraw/zinc/74/59/51/1080745951.db2.gz NDUTZAABFJGOTC-DLBZAZTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1cccc(O[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672643030 1080745942 /nfs/dbraw/zinc/74/59/42/1080745942.db2.gz NDUTZAABFJGOTC-DLBZAZTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1cccc(O[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672643031 1080745674 /nfs/dbraw/zinc/74/56/74/1080745674.db2.gz NDUTZAABFJGOTC-IAGOWNOFSA-N 2 2 418.538 0.863 20 0 HCADLP COc1cccc(O[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672643031 1080745660 /nfs/dbraw/zinc/74/56/60/1080745660.db2.gz NDUTZAABFJGOTC-IAGOWNOFSA-N 2 2 418.538 0.863 20 0 HCADLP COc1cccc(O[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672643032 1080745899 /nfs/dbraw/zinc/74/58/99/1080745899.db2.gz NDUTZAABFJGOTC-IRXDYDNUSA-N 2 2 418.538 0.863 20 0 HCADLP COc1cccc(O[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672643032 1080745883 /nfs/dbraw/zinc/74/58/83/1080745883.db2.gz NDUTZAABFJGOTC-IRXDYDNUSA-N 2 2 418.538 0.863 20 0 HCADLP COc1cccc(O[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672643033 1080746305 /nfs/dbraw/zinc/74/63/05/1080746305.db2.gz NDUTZAABFJGOTC-SJORKVTESA-N 2 2 418.538 0.863 20 0 HCADLP COc1cccc(O[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672643033 1080746296 /nfs/dbraw/zinc/74/62/96/1080746296.db2.gz NDUTZAABFJGOTC-SJORKVTESA-N 2 2 418.538 0.863 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643038 1080745848 /nfs/dbraw/zinc/74/58/48/1080745848.db2.gz NGUPHZGAUQEXPM-AZUAARDMSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643038 1080745841 /nfs/dbraw/zinc/74/58/41/1080745841.db2.gz NGUPHZGAUQEXPM-AZUAARDMSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643039 1080746345 /nfs/dbraw/zinc/74/63/45/1080746345.db2.gz NGUPHZGAUQEXPM-ICSRJNTNSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643039 1080746338 /nfs/dbraw/zinc/74/63/38/1080746338.db2.gz NGUPHZGAUQEXPM-ICSRJNTNSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643040 1080746266 /nfs/dbraw/zinc/74/62/66/1080746266.db2.gz NGUPHZGAUQEXPM-QUCCMNQESA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643040 1080746260 /nfs/dbraw/zinc/74/62/60/1080746260.db2.gz NGUPHZGAUQEXPM-QUCCMNQESA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643041 1080745521 /nfs/dbraw/zinc/74/55/21/1080745521.db2.gz NGUPHZGAUQEXPM-UYAOXDASSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643041 1080745509 /nfs/dbraw/zinc/74/55/09/1080745509.db2.gz NGUPHZGAUQEXPM-UYAOXDASSA-N 3 2 405.587 0.748 20 0 HCADLP C[C@@H](N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1)C(F)(F)F ZINC000672643130 1080744495 /nfs/dbraw/zinc/74/44/95/1080744495.db2.gz RCPHEGIVRXMPRP-CABCVRRESA-N 2 2 419.492 0.366 20 0 HCADLP C[C@@H](N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1)C(F)(F)F ZINC000672643130 1080744487 /nfs/dbraw/zinc/74/44/87/1080744487.db2.gz RCPHEGIVRXMPRP-CABCVRRESA-N 2 2 419.492 0.366 20 0 HCADLP C[C@H](N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1)C(F)(F)F ZINC000672643131 1080745063 /nfs/dbraw/zinc/74/50/63/1080745063.db2.gz RCPHEGIVRXMPRP-GJZGRUSLSA-N 2 2 419.492 0.366 20 0 HCADLP C[C@H](N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1)C(F)(F)F ZINC000672643131 1080745055 /nfs/dbraw/zinc/74/50/55/1080745055.db2.gz RCPHEGIVRXMPRP-GJZGRUSLSA-N 2 2 419.492 0.366 20 0 HCADLP C[C@@H](N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1)C(F)(F)F ZINC000672643132 1080744827 /nfs/dbraw/zinc/74/48/27/1080744827.db2.gz RCPHEGIVRXMPRP-HUUCEWRRSA-N 2 2 419.492 0.366 20 0 HCADLP C[C@@H](N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1)C(F)(F)F ZINC000672643132 1080744820 /nfs/dbraw/zinc/74/48/20/1080744820.db2.gz RCPHEGIVRXMPRP-HUUCEWRRSA-N 2 2 419.492 0.366 20 0 HCADLP C[C@H](N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1)C(F)(F)F ZINC000672643133 1080744315 /nfs/dbraw/zinc/74/43/15/1080744315.db2.gz RCPHEGIVRXMPRP-LSDHHAIUSA-N 2 2 419.492 0.366 20 0 HCADLP C[C@H](N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1)C(F)(F)F ZINC000672643133 1080744304 /nfs/dbraw/zinc/74/43/04/1080744304.db2.gz RCPHEGIVRXMPRP-LSDHHAIUSA-N 2 2 419.492 0.366 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643176 1080744352 /nfs/dbraw/zinc/74/43/52/1080744352.db2.gz SSHLGOVAMLKHQK-MOPGFXCFSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643176 1080744346 /nfs/dbraw/zinc/74/43/46/1080744346.db2.gz SSHLGOVAMLKHQK-MOPGFXCFSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643177 1080744870 /nfs/dbraw/zinc/74/48/70/1080744870.db2.gz SSHLGOVAMLKHQK-OALUTQOASA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643177 1080744862 /nfs/dbraw/zinc/74/48/62/1080744862.db2.gz SSHLGOVAMLKHQK-OALUTQOASA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643178 1080744568 /nfs/dbraw/zinc/74/45/68/1080744568.db2.gz SSHLGOVAMLKHQK-RBUKOAKNSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643178 1080744556 /nfs/dbraw/zinc/74/45/56/1080744556.db2.gz SSHLGOVAMLKHQK-RBUKOAKNSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643179 1080745017 /nfs/dbraw/zinc/74/50/17/1080745017.db2.gz SSHLGOVAMLKHQK-RTBURBONSA-N 3 2 405.587 0.748 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643179 1080745010 /nfs/dbraw/zinc/74/50/10/1080745010.db2.gz SSHLGOVAMLKHQK-RTBURBONSA-N 3 2 405.587 0.748 20 0 HCADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643180 1080744950 /nfs/dbraw/zinc/74/49/50/1080744950.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643180 1080744943 /nfs/dbraw/zinc/74/49/43/1080744943.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643180 1080744938 /nfs/dbraw/zinc/74/49/38/1080744938.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643180 1080744929 /nfs/dbraw/zinc/74/49/29/1080744929.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643181 1080744125 /nfs/dbraw/zinc/74/41/25/1080744125.db2.gz SXCNKCVLCOHBKJ-OALUTQOASA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643181 1080744109 /nfs/dbraw/zinc/74/41/09/1080744109.db2.gz SXCNKCVLCOHBKJ-OALUTQOASA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643181 1080744100 /nfs/dbraw/zinc/74/41/00/1080744100.db2.gz SXCNKCVLCOHBKJ-OALUTQOASA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643181 1080744091 /nfs/dbraw/zinc/74/40/91/1080744091.db2.gz SXCNKCVLCOHBKJ-OALUTQOASA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643182 1080744440 /nfs/dbraw/zinc/74/44/40/1080744440.db2.gz SXCNKCVLCOHBKJ-RBUKOAKNSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643182 1080744432 /nfs/dbraw/zinc/74/44/32/1080744432.db2.gz SXCNKCVLCOHBKJ-RBUKOAKNSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643182 1080744423 /nfs/dbraw/zinc/74/44/23/1080744423.db2.gz SXCNKCVLCOHBKJ-RBUKOAKNSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643182 1080744417 /nfs/dbraw/zinc/74/44/17/1080744417.db2.gz SXCNKCVLCOHBKJ-RBUKOAKNSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643183 1080745159 /nfs/dbraw/zinc/74/51/59/1080745159.db2.gz SXCNKCVLCOHBKJ-RTBURBONSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643183 1080745148 /nfs/dbraw/zinc/74/51/48/1080745148.db2.gz SXCNKCVLCOHBKJ-RTBURBONSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643183 1080745138 /nfs/dbraw/zinc/74/51/38/1080745138.db2.gz SXCNKCVLCOHBKJ-RTBURBONSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000672643183 1080745125 /nfs/dbraw/zinc/74/51/25/1080745125.db2.gz SXCNKCVLCOHBKJ-RTBURBONSA-N 3 2 407.603 0.755 20 0 HCADLP CC(C)N1C(=O)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1(C)C ZINC000672643407 1080743438 /nfs/dbraw/zinc/74/34/38/1080743438.db2.gz XITDDLBNCRDVOK-INIZCTEOSA-N 2 2 407.559 0.129 20 0 HCADLP CC(C)N1C(=O)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1(C)C ZINC000672643407 1080743431 /nfs/dbraw/zinc/74/34/31/1080743431.db2.gz XITDDLBNCRDVOK-INIZCTEOSA-N 2 2 407.559 0.129 20 0 HCADLP CC(C)N1C(=O)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1(C)C ZINC000672643408 1080743167 /nfs/dbraw/zinc/74/31/67/1080743167.db2.gz XITDDLBNCRDVOK-MRXNPFEDSA-N 2 2 407.559 0.129 20 0 HCADLP CC(C)N1C(=O)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1(C)C ZINC000672643408 1080743151 /nfs/dbraw/zinc/74/31/51/1080743151.db2.gz XITDDLBNCRDVOK-MRXNPFEDSA-N 2 2 407.559 0.129 20 0 HCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000672647431 1080751794 /nfs/dbraw/zinc/75/17/94/1080751794.db2.gz VCKTVFGSDDDWLG-AABGKKOBSA-N 2 2 424.586 0.563 20 0 HCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000672647431 1080751782 /nfs/dbraw/zinc/75/17/82/1080751782.db2.gz VCKTVFGSDDDWLG-AABGKKOBSA-N 2 2 424.586 0.563 20 0 HCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000672647432 1080751921 /nfs/dbraw/zinc/75/19/21/1080751921.db2.gz VCKTVFGSDDDWLG-AQNXPRMDSA-N 2 2 424.586 0.563 20 0 HCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000672647432 1080751911 /nfs/dbraw/zinc/75/19/11/1080751911.db2.gz VCKTVFGSDDDWLG-AQNXPRMDSA-N 2 2 424.586 0.563 20 0 HCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000672647433 1080751723 /nfs/dbraw/zinc/75/17/23/1080751723.db2.gz VCKTVFGSDDDWLG-UFYCRDLUSA-N 2 2 424.586 0.563 20 0 HCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000672647433 1080751717 /nfs/dbraw/zinc/75/17/17/1080751717.db2.gz VCKTVFGSDDDWLG-UFYCRDLUSA-N 2 2 424.586 0.563 20 0 HCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000672647434 1080751664 /nfs/dbraw/zinc/75/16/64/1080751664.db2.gz VCKTVFGSDDDWLG-ZCNNSNEGSA-N 2 2 424.586 0.563 20 0 HCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000672647434 1080751648 /nfs/dbraw/zinc/75/16/48/1080751648.db2.gz VCKTVFGSDDDWLG-ZCNNSNEGSA-N 2 2 424.586 0.563 20 0 HCADLP CN(C(=O)C(=O)NCCC(=O)Nc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672654060 1080753411 /nfs/dbraw/zinc/75/34/11/1080753411.db2.gz AFQAYVJBQDLNIO-IBGZPJMESA-N 2 2 415.538 0.758 20 0 HCADLP CN(C(=O)C(=O)NCCC(=O)Nc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672654060 1080753405 /nfs/dbraw/zinc/75/34/05/1080753405.db2.gz AFQAYVJBQDLNIO-IBGZPJMESA-N 2 2 415.538 0.758 20 0 HCADLP CN(C(=O)C(=O)NCCC(=O)Nc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672654061 1080753232 /nfs/dbraw/zinc/75/32/32/1080753232.db2.gz AFQAYVJBQDLNIO-LJQANCHMSA-N 2 2 415.538 0.758 20 0 HCADLP CN(C(=O)C(=O)NCCC(=O)Nc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672654061 1080753223 /nfs/dbraw/zinc/75/32/23/1080753223.db2.gz AFQAYVJBQDLNIO-LJQANCHMSA-N 2 2 415.538 0.758 20 0 HCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672655104 1080753473 /nfs/dbraw/zinc/75/34/73/1080753473.db2.gz DPCHIRLBEIQDEA-AZUAARDMSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672655104 1080753467 /nfs/dbraw/zinc/75/34/67/1080753467.db2.gz DPCHIRLBEIQDEA-AZUAARDMSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672655104 1080753461 /nfs/dbraw/zinc/75/34/61/1080753461.db2.gz DPCHIRLBEIQDEA-AZUAARDMSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672655104 1080753457 /nfs/dbraw/zinc/75/34/57/1080753457.db2.gz DPCHIRLBEIQDEA-AZUAARDMSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672655105 1080753161 /nfs/dbraw/zinc/75/31/61/1080753161.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672655105 1080753152 /nfs/dbraw/zinc/75/31/52/1080753152.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672655105 1080753143 /nfs/dbraw/zinc/75/31/43/1080753143.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672655105 1080753134 /nfs/dbraw/zinc/75/31/34/1080753134.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672655106 1080752995 /nfs/dbraw/zinc/75/29/95/1080752995.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672655106 1080752991 /nfs/dbraw/zinc/75/29/91/1080752991.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672655106 1080752985 /nfs/dbraw/zinc/75/29/85/1080752985.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672655106 1080752977 /nfs/dbraw/zinc/75/29/77/1080752977.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672655107 1080753371 /nfs/dbraw/zinc/75/33/71/1080753371.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672655107 1080753364 /nfs/dbraw/zinc/75/33/64/1080753364.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672655107 1080753356 /nfs/dbraw/zinc/75/33/56/1080753356.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 3 2 407.603 0.994 20 0 HCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672655107 1080753348 /nfs/dbraw/zinc/75/33/48/1080753348.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 3 2 407.603 0.994 20 0 HCADLP CN(C)C(=O)C1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672659528 1080749467 /nfs/dbraw/zinc/74/94/67/1080749467.db2.gz LLVZFPJZXAKAKN-GOSISDBHSA-N 2 2 421.586 0.378 20 0 HCADLP CN(C)C(=O)C1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672659528 1080749452 /nfs/dbraw/zinc/74/94/52/1080749452.db2.gz LLVZFPJZXAKAKN-GOSISDBHSA-N 2 2 421.586 0.378 20 0 HCADLP CN(C)C(=O)C1(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672659529 1080749680 /nfs/dbraw/zinc/74/96/80/1080749680.db2.gz LLVZFPJZXAKAKN-SFHVURJKSA-N 2 2 421.586 0.378 20 0 HCADLP CN(C)C(=O)C1(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672659529 1080749669 /nfs/dbraw/zinc/74/96/69/1080749669.db2.gz LLVZFPJZXAKAKN-SFHVURJKSA-N 2 2 421.586 0.378 20 0 HCADLP CC1(C)CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000672681688 1080756523 /nfs/dbraw/zinc/75/65/23/1080756523.db2.gz XYRONCPKTFDXLT-UHFFFAOYSA-N 2 2 403.571 0.902 20 0 HCADLP CC1(C)CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000672681688 1080756519 /nfs/dbraw/zinc/75/65/19/1080756519.db2.gz XYRONCPKTFDXLT-UHFFFAOYSA-N 2 2 403.571 0.902 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672690455 1080758790 /nfs/dbraw/zinc/75/87/90/1080758790.db2.gz VPUFGKKXBSRTQW-MOPGFXCFSA-N 2 2 416.570 0.699 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672690457 1080758968 /nfs/dbraw/zinc/75/89/68/1080758968.db2.gz VPUFGKKXBSRTQW-OALUTQOASA-N 2 2 416.570 0.699 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672690458 1080758765 /nfs/dbraw/zinc/75/87/65/1080758765.db2.gz VPUFGKKXBSRTQW-RBUKOAKNSA-N 2 2 416.570 0.699 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000672690459 1080758939 /nfs/dbraw/zinc/75/89/39/1080758939.db2.gz VPUFGKKXBSRTQW-RTBURBONSA-N 2 2 416.570 0.699 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000672696338 1080757365 /nfs/dbraw/zinc/75/73/65/1080757365.db2.gz VMSKRDITQHJFES-HNNXBMFYSA-N 2 2 414.514 0.003 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000672696340 1080757252 /nfs/dbraw/zinc/75/72/52/1080757252.db2.gz VMSKRDITQHJFES-OAHLLOKOSA-N 2 2 414.514 0.003 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000672699106 1080762017 /nfs/dbraw/zinc/76/20/17/1080762017.db2.gz NMKMVMRARIYUAO-GOSISDBHSA-N 2 2 409.575 0.380 20 0 HCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000672699106 1080762008 /nfs/dbraw/zinc/76/20/08/1080762008.db2.gz NMKMVMRARIYUAO-GOSISDBHSA-N 2 2 409.575 0.380 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000672699107 1080762268 /nfs/dbraw/zinc/76/22/68/1080762268.db2.gz NMKMVMRARIYUAO-SFHVURJKSA-N 2 2 409.575 0.380 20 0 HCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000672699107 1080762260 /nfs/dbraw/zinc/76/22/60/1080762260.db2.gz NMKMVMRARIYUAO-SFHVURJKSA-N 2 2 409.575 0.380 20 0 HCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C2 ZINC000672708504 1080761121 /nfs/dbraw/zinc/76/11/21/1080761121.db2.gz TWRQBPHNXJGHIX-AYHJJNSGSA-N 2 2 408.591 0.395 20 0 HCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C2 ZINC000672708504 1080761117 /nfs/dbraw/zinc/76/11/17/1080761117.db2.gz TWRQBPHNXJGHIX-AYHJJNSGSA-N 2 2 408.591 0.395 20 0 HCADLP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1CCO ZINC000672709333 1080761376 /nfs/dbraw/zinc/76/13/76/1080761376.db2.gz XMLRDPFCGHREER-UHFFFAOYSA-N 2 2 405.547 0.087 20 0 HCADLP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1CCO ZINC000672709333 1080761369 /nfs/dbraw/zinc/76/13/69/1080761369.db2.gz XMLRDPFCGHREER-UHFFFAOYSA-N 2 2 405.547 0.087 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000672712612 1080766404 /nfs/dbraw/zinc/76/64/04/1080766404.db2.gz SXQSVNQHZUFMOQ-UHFFFAOYSA-N 2 2 417.554 0.672 20 0 HCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[N@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000672712612 1080766395 /nfs/dbraw/zinc/76/63/95/1080766395.db2.gz SXQSVNQHZUFMOQ-UHFFFAOYSA-N 2 2 417.554 0.672 20 0 HCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672725417 1080769082 /nfs/dbraw/zinc/76/90/82/1080769082.db2.gz SSRHVJDLYFRYDM-MOPGFXCFSA-N 2 2 416.570 0.697 20 0 HCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672725418 1080769104 /nfs/dbraw/zinc/76/91/04/1080769104.db2.gz SSRHVJDLYFRYDM-OALUTQOASA-N 2 2 416.570 0.697 20 0 HCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672725419 1080769035 /nfs/dbraw/zinc/76/90/35/1080769035.db2.gz SSRHVJDLYFRYDM-RBUKOAKNSA-N 2 2 416.570 0.697 20 0 HCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000672725420 1080769129 /nfs/dbraw/zinc/76/91/29/1080769129.db2.gz SSRHVJDLYFRYDM-RTBURBONSA-N 2 2 416.570 0.697 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)[nH+]c12 ZINC000672761393 1080773515 /nfs/dbraw/zinc/77/35/15/1080773515.db2.gz WTKQRSWPSZFNBW-UHFFFAOYSA-N 2 2 424.505 0.953 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC([N@@H+](C)CCCO)CC3)[nH+]c12 ZINC000672761608 1080773130 /nfs/dbraw/zinc/77/31/30/1080773130.db2.gz DGANUEWBJMEYTN-UHFFFAOYSA-N 2 2 401.511 0.607 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)[nH+]c12 ZINC000672761608 1080773119 /nfs/dbraw/zinc/77/31/19/1080773119.db2.gz DGANUEWBJMEYTN-UHFFFAOYSA-N 2 2 401.511 0.607 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[nH+]c12 ZINC000672761878 1080773695 /nfs/dbraw/zinc/77/36/95/1080773695.db2.gz PQWMJRXLVROBGW-UHFFFAOYSA-N 2 2 413.522 0.872 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)[nH+]c12 ZINC000672763532 1080774147 /nfs/dbraw/zinc/77/41/47/1080774147.db2.gz JNFHQUQSMFNUBI-UHFFFAOYSA-N 2 2 413.522 0.872 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)[nH+]c12 ZINC000672763822 1080777651 /nfs/dbraw/zinc/77/76/51/1080777651.db2.gz MJPHJDOMJPKXJA-KRWDZBQOSA-N 2 2 413.522 0.919 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)[nH+]c12 ZINC000672763824 1080777859 /nfs/dbraw/zinc/77/78/59/1080777859.db2.gz MJPHJDOMJPKXJA-QGZVFWFLSA-N 2 2 413.522 0.919 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)[nH+]c12 ZINC000672764271 1080772007 /nfs/dbraw/zinc/77/20/07/1080772007.db2.gz QFCLGSAOZJNUGG-SFHVURJKSA-N 2 2 413.522 0.872 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)[nH+]c12 ZINC000672764441 1080774749 /nfs/dbraw/zinc/77/47/49/1080774749.db2.gz NPEOCXSXGIFQJO-KRWDZBQOSA-N 2 2 401.511 0.919 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)[nH+]c12 ZINC000672764441 1080774742 /nfs/dbraw/zinc/77/47/42/1080774742.db2.gz NPEOCXSXGIFQJO-KRWDZBQOSA-N 2 2 401.511 0.919 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[N@H+]3CCCO[C@H](C)C3)[nH+]c12 ZINC000672764442 1080774829 /nfs/dbraw/zinc/77/48/29/1080774829.db2.gz NPEOCXSXGIFQJO-QGZVFWFLSA-N 2 2 401.511 0.919 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)[nH+]c12 ZINC000672764442 1080774823 /nfs/dbraw/zinc/77/48/23/1080774823.db2.gz NPEOCXSXGIFQJO-QGZVFWFLSA-N 2 2 401.511 0.919 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)[nH+]c12 ZINC000672764859 1080778464 /nfs/dbraw/zinc/77/84/64/1080778464.db2.gz XRQPWOFAPLRKEJ-UHFFFAOYSA-N 2 2 401.511 0.871 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)[nH+]c12 ZINC000672764949 1080778530 /nfs/dbraw/zinc/77/85/30/1080778530.db2.gz FJCNLLYQDGFDIO-UHFFFAOYSA-N 2 2 400.527 0.444 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)[nH+]c12 ZINC000672764949 1080778521 /nfs/dbraw/zinc/77/85/21/1080778521.db2.gz FJCNLLYQDGFDIO-UHFFFAOYSA-N 2 2 400.527 0.444 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)[nH+]c12 ZINC000672765144 1080777787 /nfs/dbraw/zinc/77/77/87/1080777787.db2.gz VHNGESXDCUCRSS-GOSISDBHSA-N 2 2 401.511 0.871 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)[nH+]c12 ZINC000672765145 1080777564 /nfs/dbraw/zinc/77/75/64/1080777564.db2.gz VHNGESXDCUCRSS-SFHVURJKSA-N 2 2 401.511 0.871 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)[nH+]c12 ZINC000672766527 1080778276 /nfs/dbraw/zinc/77/82/76/1080778276.db2.gz MLCMTOVIMJLTJX-GOSISDBHSA-N 2 2 401.511 0.774 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)[nH+]c12 ZINC000672766527 1080778265 /nfs/dbraw/zinc/77/82/65/1080778265.db2.gz MLCMTOVIMJLTJX-GOSISDBHSA-N 2 2 401.511 0.774 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)[nH+]c12 ZINC000672766528 1080778401 /nfs/dbraw/zinc/77/84/01/1080778401.db2.gz MLCMTOVIMJLTJX-SFHVURJKSA-N 2 2 401.511 0.774 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)[nH+]c12 ZINC000672766528 1080778391 /nfs/dbraw/zinc/77/83/91/1080778391.db2.gz MLCMTOVIMJLTJX-SFHVURJKSA-N 2 2 401.511 0.774 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)[nH+]c12 ZINC000672767858 1080775523 /nfs/dbraw/zinc/77/55/23/1080775523.db2.gz IEBFKWGDEOCNJW-IBGZPJMESA-N 2 2 412.538 0.540 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)[nH+]c12 ZINC000672767858 1080775515 /nfs/dbraw/zinc/77/55/15/1080775515.db2.gz IEBFKWGDEOCNJW-IBGZPJMESA-N 2 2 412.538 0.540 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)[nH+]c12 ZINC000672767859 1080775342 /nfs/dbraw/zinc/77/53/42/1080775342.db2.gz IEBFKWGDEOCNJW-LJQANCHMSA-N 2 2 412.538 0.540 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)[nH+]c12 ZINC000672767859 1080775331 /nfs/dbraw/zinc/77/53/31/1080775331.db2.gz IEBFKWGDEOCNJW-LJQANCHMSA-N 2 2 412.538 0.540 20 0 HCADLP COCCC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000672768044 1080774904 /nfs/dbraw/zinc/77/49/04/1080774904.db2.gz UEZSKCFYUDHEPY-UHFFFAOYSA-N 2 2 401.511 0.919 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)[nH+]c12 ZINC000672768109 1080779185 /nfs/dbraw/zinc/77/91/85/1080779185.db2.gz QFCLGSAOZJNUGG-GOSISDBHSA-N 2 2 413.522 0.872 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000672768376 1080778950 /nfs/dbraw/zinc/77/89/50/1080778950.db2.gz ZXHXRSXQQRMGNY-CALCHBBNSA-N 2 2 401.511 0.917 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000672768376 1080778940 /nfs/dbraw/zinc/77/89/40/1080778940.db2.gz ZXHXRSXQQRMGNY-CALCHBBNSA-N 2 2 401.511 0.917 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)[nH+]c12 ZINC000672768377 1080779114 /nfs/dbraw/zinc/77/91/14/1080779114.db2.gz ZXHXRSXQQRMGNY-IAGOWNOFSA-N 2 2 401.511 0.917 20 0 HCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000672768378 1080779040 /nfs/dbraw/zinc/77/90/40/1080779040.db2.gz ZXHXRSXQQRMGNY-IRXDYDNUSA-N 2 2 401.511 0.917 20 0 HCADLP CC1(C)CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[N@H+]1CCO ZINC000672768535 1080778998 /nfs/dbraw/zinc/77/89/98/1080778998.db2.gz VZCIZOMHVWBPLU-UHFFFAOYSA-N 2 2 420.554 0.996 20 0 HCADLP CC1(C)CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[N@@H+]1CCO ZINC000672768535 1080778991 /nfs/dbraw/zinc/77/89/91/1080778991.db2.gz VZCIZOMHVWBPLU-UHFFFAOYSA-N 2 2 420.554 0.996 20 0 HCADLP CC1(C)CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000672781308 1080782961 /nfs/dbraw/zinc/78/29/61/1080782961.db2.gz JYHUKDPRCAIXGZ-UHFFFAOYSA-N 2 2 420.554 0.996 20 0 HCADLP CC1(C)CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000672781308 1080782953 /nfs/dbraw/zinc/78/29/53/1080782953.db2.gz JYHUKDPRCAIXGZ-UHFFFAOYSA-N 2 2 420.554 0.996 20 0 HCADLP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1CCO ZINC000672799773 1080784802 /nfs/dbraw/zinc/78/48/02/1080784802.db2.gz NDWVFLYMVUBFSI-UHFFFAOYSA-N 3 2 404.559 0.692 20 0 HCADLP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1CCO ZINC000672799773 1080784791 /nfs/dbraw/zinc/78/47/91/1080784791.db2.gz NDWVFLYMVUBFSI-UHFFFAOYSA-N 3 2 404.559 0.692 20 0 HCADLP CN(C)c1nc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672806344 1080785937 /nfs/dbraw/zinc/78/59/37/1080785937.db2.gz MDUUWTCWZWNKBO-INIZCTEOSA-N 2 2 408.572 0.452 20 0 HCADLP CN(C)c1nc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672806344 1080785932 /nfs/dbraw/zinc/78/59/32/1080785932.db2.gz MDUUWTCWZWNKBO-INIZCTEOSA-N 2 2 408.572 0.452 20 0 HCADLP CN(C)c1nc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672806345 1080786083 /nfs/dbraw/zinc/78/60/83/1080786083.db2.gz MDUUWTCWZWNKBO-MRXNPFEDSA-N 2 2 408.572 0.452 20 0 HCADLP CN(C)c1nc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000672806345 1080786074 /nfs/dbraw/zinc/78/60/74/1080786074.db2.gz MDUUWTCWZWNKBO-MRXNPFEDSA-N 2 2 408.572 0.452 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874739 1080800657 /nfs/dbraw/zinc/80/06/57/1080800657.db2.gz FAQQOEYOUWHPDS-DKICVRJWSA-N 2 2 406.531 0.317 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874739 1080800655 /nfs/dbraw/zinc/80/06/55/1080800655.db2.gz FAQQOEYOUWHPDS-DKICVRJWSA-N 2 2 406.531 0.317 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C[C@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874740 1080800727 /nfs/dbraw/zinc/80/07/27/1080800727.db2.gz FAQQOEYOUWHPDS-NBQZKYEYSA-N 2 2 406.531 0.317 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C[C@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874740 1080800724 /nfs/dbraw/zinc/80/07/24/1080800724.db2.gz FAQQOEYOUWHPDS-NBQZKYEYSA-N 2 2 406.531 0.317 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874741 1080800629 /nfs/dbraw/zinc/80/06/29/1080800629.db2.gz FAQQOEYOUWHPDS-UVFQYZLESA-N 2 2 406.531 0.317 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874741 1080800625 /nfs/dbraw/zinc/80/06/25/1080800625.db2.gz FAQQOEYOUWHPDS-UVFQYZLESA-N 2 2 406.531 0.317 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874742 1080800568 /nfs/dbraw/zinc/80/05/68/1080800568.db2.gz FAQQOEYOUWHPDS-YYFZDKIDSA-N 2 2 406.531 0.317 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874742 1080800564 /nfs/dbraw/zinc/80/05/64/1080800564.db2.gz FAQQOEYOUWHPDS-YYFZDKIDSA-N 2 2 406.531 0.317 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(CNS(C)(=O)=O)CC3)C2)CC1 ZINC000672874975 1080801383 /nfs/dbraw/zinc/80/13/83/1080801383.db2.gz FYEAKONZDIBSIT-INIZCTEOSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(CNS(C)(=O)=O)CC3)C2)CC1 ZINC000672874975 1080801377 /nfs/dbraw/zinc/80/13/77/1080801377.db2.gz FYEAKONZDIBSIT-INIZCTEOSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(CNS(C)(=O)=O)CC3)C2)CC1 ZINC000672874979 1080801224 /nfs/dbraw/zinc/80/12/24/1080801224.db2.gz FYEAKONZDIBSIT-MRXNPFEDSA-N 2 2 401.577 0.126 20 0 HCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(CNS(C)(=O)=O)CC3)C2)CC1 ZINC000672874979 1080801220 /nfs/dbraw/zinc/80/12/20/1080801220.db2.gz FYEAKONZDIBSIT-MRXNPFEDSA-N 2 2 401.577 0.126 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672880005 1080806387 /nfs/dbraw/zinc/80/63/87/1080806387.db2.gz TXPCOIOFVDNFGN-GOSISDBHSA-N 2 2 404.559 0.690 20 0 HCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672880005 1080806383 /nfs/dbraw/zinc/80/63/83/1080806383.db2.gz TXPCOIOFVDNFGN-GOSISDBHSA-N 2 2 404.559 0.690 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672880006 1080806430 /nfs/dbraw/zinc/80/64/30/1080806430.db2.gz TXPCOIOFVDNFGN-SFHVURJKSA-N 2 2 404.559 0.690 20 0 HCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672880006 1080806426 /nfs/dbraw/zinc/80/64/26/1080806426.db2.gz TXPCOIOFVDNFGN-SFHVURJKSA-N 2 2 404.559 0.690 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000672934758 1080826346 /nfs/dbraw/zinc/82/63/46/1080826346.db2.gz BAPLHUVKFXZTJK-CRAIPNDOSA-N 2 2 419.526 0.741 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000672934758 1080826342 /nfs/dbraw/zinc/82/63/42/1080826342.db2.gz BAPLHUVKFXZTJK-CRAIPNDOSA-N 2 2 419.526 0.741 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000672934759 1080826245 /nfs/dbraw/zinc/82/62/45/1080826245.db2.gz BAPLHUVKFXZTJK-MAUKXSAKSA-N 2 2 419.526 0.741 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000672934759 1080826239 /nfs/dbraw/zinc/82/62/39/1080826239.db2.gz BAPLHUVKFXZTJK-MAUKXSAKSA-N 2 2 419.526 0.741 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000672934760 1080826364 /nfs/dbraw/zinc/82/63/64/1080826364.db2.gz BAPLHUVKFXZTJK-QAPCUYQASA-N 2 2 419.526 0.741 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000672934760 1080826360 /nfs/dbraw/zinc/82/63/60/1080826360.db2.gz BAPLHUVKFXZTJK-QAPCUYQASA-N 2 2 419.526 0.741 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000672934761 1080826270 /nfs/dbraw/zinc/82/62/70/1080826270.db2.gz BAPLHUVKFXZTJK-YJBOKZPZSA-N 2 2 419.526 0.741 20 0 HCADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000672934761 1080826267 /nfs/dbraw/zinc/82/62/67/1080826267.db2.gz BAPLHUVKFXZTJK-YJBOKZPZSA-N 2 2 419.526 0.741 20 0 HCADLP Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672969817 1080835941 /nfs/dbraw/zinc/83/59/41/1080835941.db2.gz RIBDOLSHPQRLMA-GFCCVEGCSA-N 2 2 416.448 0.971 20 0 HCADLP Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672969817 1080835938 /nfs/dbraw/zinc/83/59/38/1080835938.db2.gz RIBDOLSHPQRLMA-GFCCVEGCSA-N 2 2 416.448 0.971 20 0 HCADLP Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672969818 1080836530 /nfs/dbraw/zinc/83/65/30/1080836530.db2.gz RIBDOLSHPQRLMA-LBPRGKRZSA-N 2 2 416.448 0.971 20 0 HCADLP Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672969818 1080836527 /nfs/dbraw/zinc/83/65/27/1080836527.db2.gz RIBDOLSHPQRLMA-LBPRGKRZSA-N 2 2 416.448 0.971 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673013615 1080848898 /nfs/dbraw/zinc/84/88/98/1080848898.db2.gz PBTVYFQQEBZWTP-JXFKEZNVSA-N 2 2 400.523 0.906 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673013615 1080848894 /nfs/dbraw/zinc/84/88/94/1080848894.db2.gz PBTVYFQQEBZWTP-JXFKEZNVSA-N 2 2 400.523 0.906 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673013616 1080848927 /nfs/dbraw/zinc/84/89/27/1080848927.db2.gz PBTVYFQQEBZWTP-OXJNMPFZSA-N 2 2 400.523 0.906 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673013616 1080848926 /nfs/dbraw/zinc/84/89/26/1080848926.db2.gz PBTVYFQQEBZWTP-OXJNMPFZSA-N 2 2 400.523 0.906 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673013617 1080848996 /nfs/dbraw/zinc/84/89/96/1080848996.db2.gz PBTVYFQQEBZWTP-OXQOHEQNSA-N 2 2 400.523 0.906 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673013617 1080848995 /nfs/dbraw/zinc/84/89/95/1080848995.db2.gz PBTVYFQQEBZWTP-OXQOHEQNSA-N 2 2 400.523 0.906 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673013618 1080848918 /nfs/dbraw/zinc/84/89/18/1080848918.db2.gz PBTVYFQQEBZWTP-UZLBHIALSA-N 2 2 400.523 0.906 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673013618 1080848915 /nfs/dbraw/zinc/84/89/15/1080848915.db2.gz PBTVYFQQEBZWTP-UZLBHIALSA-N 2 2 400.523 0.906 20 0 HCADLP COc1cnccc1[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673042994 1080856636 /nfs/dbraw/zinc/85/66/36/1080856636.db2.gz ZDHMMBUOPHQPDO-DOTOQJQBSA-N 2 2 403.527 0.894 20 0 HCADLP COc1cnccc1[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673042994 1080856634 /nfs/dbraw/zinc/85/66/34/1080856634.db2.gz ZDHMMBUOPHQPDO-DOTOQJQBSA-N 2 2 403.527 0.894 20 0 HCADLP COc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673042995 1080856459 /nfs/dbraw/zinc/85/64/59/1080856459.db2.gz ZDHMMBUOPHQPDO-NVXWUHKLSA-N 2 2 403.527 0.894 20 0 HCADLP COc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673042995 1080856457 /nfs/dbraw/zinc/85/64/57/1080856457.db2.gz ZDHMMBUOPHQPDO-NVXWUHKLSA-N 2 2 403.527 0.894 20 0 HCADLP COc1cnccc1[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673042996 1080856503 /nfs/dbraw/zinc/85/65/03/1080856503.db2.gz ZDHMMBUOPHQPDO-RDJZCZTQSA-N 2 2 403.527 0.894 20 0 HCADLP COc1cnccc1[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673042996 1080856497 /nfs/dbraw/zinc/85/64/97/1080856497.db2.gz ZDHMMBUOPHQPDO-RDJZCZTQSA-N 2 2 403.527 0.894 20 0 HCADLP COc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673042997 1080856692 /nfs/dbraw/zinc/85/66/92/1080856692.db2.gz ZDHMMBUOPHQPDO-WBVHZDCISA-N 2 2 403.527 0.894 20 0 HCADLP COc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673042997 1080856688 /nfs/dbraw/zinc/85/66/88/1080856688.db2.gz ZDHMMBUOPHQPDO-WBVHZDCISA-N 2 2 403.527 0.894 20 0 HCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000673095947 1080873877 /nfs/dbraw/zinc/87/38/77/1080873877.db2.gz QKMHKOZTLKBGIG-FQEVSTJZSA-N 2 2 414.550 0.525 20 0 HCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000673095948 1080874001 /nfs/dbraw/zinc/87/40/01/1080874001.db2.gz QKMHKOZTLKBGIG-HXUWFJFHSA-N 2 2 414.550 0.525 20 0 HCADLP Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673101817 1080877851 /nfs/dbraw/zinc/87/78/51/1080877851.db2.gz BVSFGXOTICOUNC-KBXCAEBGSA-N 2 2 405.543 0.966 20 0 HCADLP Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673101817 1080877849 /nfs/dbraw/zinc/87/78/49/1080877849.db2.gz BVSFGXOTICOUNC-KBXCAEBGSA-N 2 2 405.543 0.966 20 0 HCADLP Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673101818 1080877988 /nfs/dbraw/zinc/87/79/88/1080877988.db2.gz BVSFGXOTICOUNC-KDOFPFPSSA-N 2 2 405.543 0.966 20 0 HCADLP Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673101818 1080877982 /nfs/dbraw/zinc/87/79/82/1080877982.db2.gz BVSFGXOTICOUNC-KDOFPFPSSA-N 2 2 405.543 0.966 20 0 HCADLP Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673101819 1080877950 /nfs/dbraw/zinc/87/79/50/1080877950.db2.gz BVSFGXOTICOUNC-KSSFIOAISA-N 2 2 405.543 0.966 20 0 HCADLP Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673101819 1080877947 /nfs/dbraw/zinc/87/79/47/1080877947.db2.gz BVSFGXOTICOUNC-KSSFIOAISA-N 2 2 405.543 0.966 20 0 HCADLP Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673101820 1080878003 /nfs/dbraw/zinc/87/80/03/1080878003.db2.gz BVSFGXOTICOUNC-RDTXWAMCSA-N 2 2 405.543 0.966 20 0 HCADLP Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673101820 1080878001 /nfs/dbraw/zinc/87/80/01/1080878001.db2.gz BVSFGXOTICOUNC-RDTXWAMCSA-N 2 2 405.543 0.966 20 0 HCADLP Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673105229 1080880511 /nfs/dbraw/zinc/88/05/11/1080880511.db2.gz DMXWTRCLELPJGE-IBGZPJMESA-N 2 2 418.586 0.713 20 0 HCADLP Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673105229 1080880509 /nfs/dbraw/zinc/88/05/09/1080880509.db2.gz DMXWTRCLELPJGE-IBGZPJMESA-N 2 2 418.586 0.713 20 0 HCADLP Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673105230 1080880499 /nfs/dbraw/zinc/88/04/99/1080880499.db2.gz DMXWTRCLELPJGE-LJQANCHMSA-N 2 2 418.586 0.713 20 0 HCADLP Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673105230 1080880498 /nfs/dbraw/zinc/88/04/98/1080880498.db2.gz DMXWTRCLELPJGE-LJQANCHMSA-N 2 2 418.586 0.713 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[N@@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000673112593 1080885517 /nfs/dbraw/zinc/88/55/17/1080885517.db2.gz WOMJMCADFQPJRY-KRWDZBQOSA-N 2 2 415.538 0.955 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[N@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000673112593 1080885516 /nfs/dbraw/zinc/88/55/16/1080885516.db2.gz WOMJMCADFQPJRY-KRWDZBQOSA-N 2 2 415.538 0.955 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC000673112594 1080885528 /nfs/dbraw/zinc/88/55/28/1080885528.db2.gz WOMJMCADFQPJRY-QGZVFWFLSA-N 2 2 415.538 0.955 20 0 HCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC000673112594 1080885526 /nfs/dbraw/zinc/88/55/26/1080885526.db2.gz WOMJMCADFQPJRY-QGZVFWFLSA-N 2 2 415.538 0.955 20 0 HCADLP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673122897 1080890751 /nfs/dbraw/zinc/89/07/51/1080890751.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 3 2 405.587 0.745 20 0 HCADLP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673122897 1080890748 /nfs/dbraw/zinc/89/07/48/1080890748.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 3 2 405.587 0.745 20 0 HCADLP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673122897 1080890747 /nfs/dbraw/zinc/89/07/47/1080890747.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 3 2 405.587 0.745 20 0 HCADLP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673122897 1080890743 /nfs/dbraw/zinc/89/07/43/1080890743.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 3 2 405.587 0.745 20 0 HCADLP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673122898 1080890890 /nfs/dbraw/zinc/89/08/90/1080890890.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 3 2 405.587 0.745 20 0 HCADLP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673122898 1080890889 /nfs/dbraw/zinc/89/08/89/1080890889.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 3 2 405.587 0.745 20 0 HCADLP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673122898 1080890887 /nfs/dbraw/zinc/89/08/87/1080890887.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 3 2 405.587 0.745 20 0 HCADLP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673122898 1080890885 /nfs/dbraw/zinc/89/08/85/1080890885.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 3 2 405.587 0.745 20 0 HCADLP CN(C(=O)NC[C@H]1CCCCN1S(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673168336 1080898719 /nfs/dbraw/zinc/89/87/19/1080898719.db2.gz VDHXAYBPAJCRKP-MSOLQXFVSA-N 2 2 415.604 0.610 20 0 HCADLP CN(C(=O)NC[C@H]1CCCCN1S(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673168336 1080898715 /nfs/dbraw/zinc/89/87/15/1080898715.db2.gz VDHXAYBPAJCRKP-MSOLQXFVSA-N 2 2 415.604 0.610 20 0 HCADLP CN(C(=O)NC[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673168337 1080898837 /nfs/dbraw/zinc/89/88/37/1080898837.db2.gz VDHXAYBPAJCRKP-QZTJIDSGSA-N 2 2 415.604 0.610 20 0 HCADLP CN(C(=O)NC[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673168337 1080898834 /nfs/dbraw/zinc/89/88/34/1080898834.db2.gz VDHXAYBPAJCRKP-QZTJIDSGSA-N 2 2 415.604 0.610 20 0 HCADLP CN(C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673168338 1080898797 /nfs/dbraw/zinc/89/87/97/1080898797.db2.gz VDHXAYBPAJCRKP-ROUUACIJSA-N 2 2 415.604 0.610 20 0 HCADLP CN(C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673168338 1080898796 /nfs/dbraw/zinc/89/87/96/1080898796.db2.gz VDHXAYBPAJCRKP-ROUUACIJSA-N 2 2 415.604 0.610 20 0 HCADLP CN(C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673168339 1080898851 /nfs/dbraw/zinc/89/88/51/1080898851.db2.gz VDHXAYBPAJCRKP-ZWKOTPCHSA-N 2 2 415.604 0.610 20 0 HCADLP CN(C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673168339 1080898849 /nfs/dbraw/zinc/89/88/49/1080898849.db2.gz VDHXAYBPAJCRKP-ZWKOTPCHSA-N 2 2 415.604 0.610 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673173595 1080899414 /nfs/dbraw/zinc/89/94/14/1080899414.db2.gz KURKBJKJQUOKCJ-GIVPXCGWSA-N 2 2 414.550 0.946 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673173595 1080899413 /nfs/dbraw/zinc/89/94/13/1080899413.db2.gz KURKBJKJQUOKCJ-GIVPXCGWSA-N 2 2 414.550 0.946 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673173596 1080899365 /nfs/dbraw/zinc/89/93/65/1080899365.db2.gz KURKBJKJQUOKCJ-HLAWJBBLSA-N 2 2 414.550 0.946 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673173596 1080899364 /nfs/dbraw/zinc/89/93/64/1080899364.db2.gz KURKBJKJQUOKCJ-HLAWJBBLSA-N 2 2 414.550 0.946 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673173597 1080899330 /nfs/dbraw/zinc/89/93/30/1080899330.db2.gz KURKBJKJQUOKCJ-HMXCVIKNSA-N 2 2 414.550 0.946 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673173597 1080899329 /nfs/dbraw/zinc/89/93/29/1080899329.db2.gz KURKBJKJQUOKCJ-HMXCVIKNSA-N 2 2 414.550 0.946 20 0 HCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673173598 1080899458 /nfs/dbraw/zinc/89/94/58/1080899458.db2.gz KURKBJKJQUOKCJ-NRSPTQNISA-N 2 2 414.550 0.946 20 0 HCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673173598 1080899455 /nfs/dbraw/zinc/89/94/55/1080899455.db2.gz KURKBJKJQUOKCJ-NRSPTQNISA-N 2 2 414.550 0.946 20 0 HCADLP CN(C(=O)NC1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673173725 1080899083 /nfs/dbraw/zinc/89/90/83/1080899083.db2.gz FGCXAEUBNQEJCO-CZDRUDQFSA-N 2 2 406.531 0.317 20 0 HCADLP CN(C(=O)NC1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673173725 1080899082 /nfs/dbraw/zinc/89/90/82/1080899082.db2.gz FGCXAEUBNQEJCO-CZDRUDQFSA-N 2 2 406.531 0.317 20 0 HCADLP CN(C(=O)NC1CCC2(CC1)NC(=O)NC2=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673173726 1080899313 /nfs/dbraw/zinc/89/93/13/1080899313.db2.gz FGCXAEUBNQEJCO-FXUPRZHBSA-N 2 2 406.531 0.317 20 0 HCADLP CN(C(=O)NC1CCC2(CC1)NC(=O)NC2=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673173726 1080899311 /nfs/dbraw/zinc/89/93/11/1080899311.db2.gz FGCXAEUBNQEJCO-FXUPRZHBSA-N 2 2 406.531 0.317 20 0 HCADLP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673178677 1080910699 /nfs/dbraw/zinc/91/06/99/1080910699.db2.gz TWRRMLGNSBWYAN-SKINQDTJSA-N 3 2 405.587 0.746 20 0 HCADLP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673178677 1080910681 /nfs/dbraw/zinc/91/06/81/1080910681.db2.gz TWRRMLGNSBWYAN-SKINQDTJSA-N 3 2 405.587 0.746 20 0 HCADLP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673178678 1080911586 /nfs/dbraw/zinc/91/15/86/1080911586.db2.gz TWRRMLGNSBWYAN-SYYJFZTOSA-N 3 2 405.587 0.746 20 0 HCADLP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673178678 1080911573 /nfs/dbraw/zinc/91/15/73/1080911573.db2.gz TWRRMLGNSBWYAN-SYYJFZTOSA-N 3 2 405.587 0.746 20 0 HCADLP CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673223573 1080932205 /nfs/dbraw/zinc/93/22/05/1080932205.db2.gz JAYDMQUOPQDUCP-KRWDZBQOSA-N 2 2 409.556 0.644 20 0 HCADLP CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673223573 1080932192 /nfs/dbraw/zinc/93/21/92/1080932192.db2.gz JAYDMQUOPQDUCP-KRWDZBQOSA-N 2 2 409.556 0.644 20 0 HCADLP CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673223576 1080931930 /nfs/dbraw/zinc/93/19/30/1080931930.db2.gz JAYDMQUOPQDUCP-QGZVFWFLSA-N 2 2 409.556 0.644 20 0 HCADLP CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673223576 1080931917 /nfs/dbraw/zinc/93/19/17/1080931917.db2.gz JAYDMQUOPQDUCP-QGZVFWFLSA-N 2 2 409.556 0.644 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673230206 1080935078 /nfs/dbraw/zinc/93/50/78/1080935078.db2.gz ZEUFYTXHHNVRAG-INDMIFKZSA-N 2 2 406.571 0.933 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673230206 1080935067 /nfs/dbraw/zinc/93/50/67/1080935067.db2.gz ZEUFYTXHHNVRAG-INDMIFKZSA-N 2 2 406.571 0.933 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673230207 1080934823 /nfs/dbraw/zinc/93/48/23/1080934823.db2.gz ZEUFYTXHHNVRAG-MANSERQUSA-N 2 2 406.571 0.933 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673230207 1080934807 /nfs/dbraw/zinc/93/48/07/1080934807.db2.gz ZEUFYTXHHNVRAG-MANSERQUSA-N 2 2 406.571 0.933 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673230208 1080935311 /nfs/dbraw/zinc/93/53/11/1080935311.db2.gz ZEUFYTXHHNVRAG-OKYOBFRVSA-N 2 2 406.571 0.933 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673230208 1080935302 /nfs/dbraw/zinc/93/53/02/1080935302.db2.gz ZEUFYTXHHNVRAG-OKYOBFRVSA-N 2 2 406.571 0.933 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673230209 1080935577 /nfs/dbraw/zinc/93/55/77/1080935577.db2.gz ZEUFYTXHHNVRAG-WJFTUGDTSA-N 2 2 406.571 0.933 20 0 HCADLP CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673230209 1080935566 /nfs/dbraw/zinc/93/55/66/1080935566.db2.gz ZEUFYTXHHNVRAG-WJFTUGDTSA-N 2 2 406.571 0.933 20 0 HCADLP COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673233470 1080936973 /nfs/dbraw/zinc/93/69/73/1080936973.db2.gz XVTYAUURWDXPBC-CTNGQTDRSA-N 2 2 416.566 0.987 20 0 HCADLP COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673233470 1080936954 /nfs/dbraw/zinc/93/69/54/1080936954.db2.gz XVTYAUURWDXPBC-CTNGQTDRSA-N 2 2 416.566 0.987 20 0 HCADLP COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673233471 1080936594 /nfs/dbraw/zinc/93/65/94/1080936594.db2.gz XVTYAUURWDXPBC-FPOVZHCZSA-N 2 2 416.566 0.987 20 0 HCADLP COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673233471 1080936581 /nfs/dbraw/zinc/93/65/81/1080936581.db2.gz XVTYAUURWDXPBC-FPOVZHCZSA-N 2 2 416.566 0.987 20 0 HCADLP COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673233472 1080936837 /nfs/dbraw/zinc/93/68/37/1080936837.db2.gz XVTYAUURWDXPBC-PZJWPPBQSA-N 2 2 416.566 0.987 20 0 HCADLP COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673233472 1080936819 /nfs/dbraw/zinc/93/68/19/1080936819.db2.gz XVTYAUURWDXPBC-PZJWPPBQSA-N 2 2 416.566 0.987 20 0 HCADLP COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673233473 1080937196 /nfs/dbraw/zinc/93/71/96/1080937196.db2.gz XVTYAUURWDXPBC-TZIWHRDSSA-N 2 2 416.566 0.987 20 0 HCADLP COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673233473 1080937188 /nfs/dbraw/zinc/93/71/88/1080937188.db2.gz XVTYAUURWDXPBC-TZIWHRDSSA-N 2 2 416.566 0.987 20 0 HCADLP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673254834 1080948877 /nfs/dbraw/zinc/94/88/77/1080948877.db2.gz LPAGEZUMSBUKGT-BEFAXECRSA-N 2 2 418.586 0.711 20 0 HCADLP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673254834 1080948861 /nfs/dbraw/zinc/94/88/61/1080948861.db2.gz LPAGEZUMSBUKGT-BEFAXECRSA-N 2 2 418.586 0.711 20 0 HCADLP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673254835 1080949177 /nfs/dbraw/zinc/94/91/77/1080949177.db2.gz LPAGEZUMSBUKGT-DNVCBOLYSA-N 2 2 418.586 0.711 20 0 HCADLP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673254835 1080949166 /nfs/dbraw/zinc/94/91/66/1080949166.db2.gz LPAGEZUMSBUKGT-DNVCBOLYSA-N 2 2 418.586 0.711 20 0 HCADLP Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673254836 1080949339 /nfs/dbraw/zinc/94/93/39/1080949339.db2.gz LPAGEZUMSBUKGT-HNAYVOBHSA-N 2 2 418.586 0.711 20 0 HCADLP Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673254836 1080949333 /nfs/dbraw/zinc/94/93/33/1080949333.db2.gz LPAGEZUMSBUKGT-HNAYVOBHSA-N 2 2 418.586 0.711 20 0 HCADLP Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673254837 1080949092 /nfs/dbraw/zinc/94/90/92/1080949092.db2.gz LPAGEZUMSBUKGT-KXBFYZLASA-N 2 2 418.586 0.711 20 0 HCADLP Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673254837 1080949082 /nfs/dbraw/zinc/94/90/82/1080949082.db2.gz LPAGEZUMSBUKGT-KXBFYZLASA-N 2 2 418.586 0.711 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(N2CCCC2)[nH+]1 ZINC000673256468 1080951200 /nfs/dbraw/zinc/95/12/00/1080951200.db2.gz XZOMJAHDZSQTOX-GOSISDBHSA-N 2 2 415.538 0.787 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(N2CCCC2)[nH+]1 ZINC000673256469 1080951376 /nfs/dbraw/zinc/95/13/76/1080951376.db2.gz XZOMJAHDZSQTOX-SFHVURJKSA-N 2 2 415.538 0.787 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000673256619 1080950674 /nfs/dbraw/zinc/95/06/74/1080950674.db2.gz BMEVQINODFUCNH-KRWDZBQOSA-N 2 2 417.554 0.910 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000673256619 1080950669 /nfs/dbraw/zinc/95/06/69/1080950669.db2.gz BMEVQINODFUCNH-KRWDZBQOSA-N 2 2 417.554 0.910 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000673256621 1080951237 /nfs/dbraw/zinc/95/12/37/1080951237.db2.gz BMEVQINODFUCNH-QGZVFWFLSA-N 2 2 417.554 0.910 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000673256621 1080951232 /nfs/dbraw/zinc/95/12/32/1080951232.db2.gz BMEVQINODFUCNH-QGZVFWFLSA-N 2 2 417.554 0.910 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c(N2CCCC2)[nH+]1 ZINC000673256664 1080951253 /nfs/dbraw/zinc/95/12/53/1080951253.db2.gz BWRXUSKDAWSRKQ-UHFFFAOYSA-N 2 2 415.538 0.930 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000673257871 1080951953 /nfs/dbraw/zinc/95/19/53/1080951953.db2.gz YMHIAVVHXLONKV-KRWDZBQOSA-N 2 2 417.554 0.910 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000673257871 1080951948 /nfs/dbraw/zinc/95/19/48/1080951948.db2.gz YMHIAVVHXLONKV-KRWDZBQOSA-N 2 2 417.554 0.910 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000673257872 1080951872 /nfs/dbraw/zinc/95/18/72/1080951872.db2.gz YMHIAVVHXLONKV-QGZVFWFLSA-N 2 2 417.554 0.910 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000673257872 1080951869 /nfs/dbraw/zinc/95/18/69/1080951869.db2.gz YMHIAVVHXLONKV-QGZVFWFLSA-N 2 2 417.554 0.910 20 0 HCADLP Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000673258129 1080952032 /nfs/dbraw/zinc/95/20/32/1080952032.db2.gz JNEWEOHPDLGKJT-UHFFFAOYSA-N 3 2 404.559 0.558 20 0 HCADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673268958 1080961484 /nfs/dbraw/zinc/96/14/84/1080961484.db2.gz MLXZXTHGPFCRKN-FQEVSTJZSA-N 2 2 415.538 0.737 20 0 HCADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673268959 1080962417 /nfs/dbraw/zinc/96/24/17/1080962417.db2.gz MLXZXTHGPFCRKN-HXUWFJFHSA-N 2 2 415.538 0.737 20 0 HCADLP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673274911 1080960474 /nfs/dbraw/zinc/96/04/74/1080960474.db2.gz CQDNKTFUNQCKPZ-IBGZPJMESA-N 3 2 407.603 0.852 20 0 HCADLP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673274911 1080960454 /nfs/dbraw/zinc/96/04/54/1080960454.db2.gz CQDNKTFUNQCKPZ-IBGZPJMESA-N 3 2 407.603 0.852 20 0 HCADLP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673274912 1080960600 /nfs/dbraw/zinc/96/06/00/1080960600.db2.gz CQDNKTFUNQCKPZ-LJQANCHMSA-N 3 2 407.603 0.852 20 0 HCADLP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673274912 1080960586 /nfs/dbraw/zinc/96/05/86/1080960586.db2.gz CQDNKTFUNQCKPZ-LJQANCHMSA-N 3 2 407.603 0.852 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673281032 1080969861 /nfs/dbraw/zinc/96/98/61/1080969861.db2.gz AWNULWLZNGNODM-DUXKGJEZSA-N 2 2 413.566 0.774 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673281032 1080969851 /nfs/dbraw/zinc/96/98/51/1080969851.db2.gz AWNULWLZNGNODM-DUXKGJEZSA-N 2 2 413.566 0.774 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673281033 1080969216 /nfs/dbraw/zinc/96/92/16/1080969216.db2.gz AWNULWLZNGNODM-JRGCBEDISA-N 2 2 413.566 0.774 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673281033 1080969201 /nfs/dbraw/zinc/96/92/01/1080969201.db2.gz AWNULWLZNGNODM-JRGCBEDISA-N 2 2 413.566 0.774 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673281034 1080969584 /nfs/dbraw/zinc/96/95/84/1080969584.db2.gz AWNULWLZNGNODM-QMMLZNLJSA-N 2 2 413.566 0.774 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673281034 1080969568 /nfs/dbraw/zinc/96/95/68/1080969568.db2.gz AWNULWLZNGNODM-QMMLZNLJSA-N 2 2 413.566 0.774 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673281035 1080970761 /nfs/dbraw/zinc/97/07/61/1080970761.db2.gz AWNULWLZNGNODM-UIFIKXQLSA-N 2 2 413.566 0.774 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673281035 1080970745 /nfs/dbraw/zinc/97/07/45/1080970745.db2.gz AWNULWLZNGNODM-UIFIKXQLSA-N 2 2 413.566 0.774 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccn1 ZINC000673281081 1080970472 /nfs/dbraw/zinc/97/04/72/1080970472.db2.gz IALGQDCYMLRVJS-IBGZPJMESA-N 2 2 411.506 0.941 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccn1 ZINC000673281081 1080970447 /nfs/dbraw/zinc/97/04/47/1080970447.db2.gz IALGQDCYMLRVJS-IBGZPJMESA-N 2 2 411.506 0.941 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccn1 ZINC000673281094 1080969670 /nfs/dbraw/zinc/96/96/70/1080969670.db2.gz IALGQDCYMLRVJS-LJQANCHMSA-N 2 2 411.506 0.941 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccn1 ZINC000673281094 1080969661 /nfs/dbraw/zinc/96/96/61/1080969661.db2.gz IALGQDCYMLRVJS-LJQANCHMSA-N 2 2 411.506 0.941 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000673282166 1080963533 /nfs/dbraw/zinc/96/35/33/1080963533.db2.gz MYEDUEKEZLIEPB-FQEVSTJZSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000673282166 1080963514 /nfs/dbraw/zinc/96/35/14/1080963514.db2.gz MYEDUEKEZLIEPB-FQEVSTJZSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000673282170 1080964671 /nfs/dbraw/zinc/96/46/71/1080964671.db2.gz MYEDUEKEZLIEPB-HXUWFJFHSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000673282170 1080964660 /nfs/dbraw/zinc/96/46/60/1080964660.db2.gz MYEDUEKEZLIEPB-HXUWFJFHSA-N 2 2 400.523 0.860 20 0 HCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000673282489 1080965942 /nfs/dbraw/zinc/96/59/42/1080965942.db2.gz FDKXWOWITSPPOH-CTNGQTDRSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000673282489 1080965920 /nfs/dbraw/zinc/96/59/20/1080965920.db2.gz FDKXWOWITSPPOH-CTNGQTDRSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673282489 1080965904 /nfs/dbraw/zinc/96/59/04/1080965904.db2.gz FDKXWOWITSPPOH-CTNGQTDRSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673282489 1080965895 /nfs/dbraw/zinc/96/58/95/1080965895.db2.gz FDKXWOWITSPPOH-CTNGQTDRSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000673282500 1080965726 /nfs/dbraw/zinc/96/57/26/1080965726.db2.gz FDKXWOWITSPPOH-FPOVZHCZSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000673282500 1080965713 /nfs/dbraw/zinc/96/57/13/1080965713.db2.gz FDKXWOWITSPPOH-FPOVZHCZSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673282500 1080965707 /nfs/dbraw/zinc/96/57/07/1080965707.db2.gz FDKXWOWITSPPOH-FPOVZHCZSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673282500 1080965684 /nfs/dbraw/zinc/96/56/84/1080965684.db2.gz FDKXWOWITSPPOH-FPOVZHCZSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000673282502 1080966589 /nfs/dbraw/zinc/96/65/89/1080966589.db2.gz FDKXWOWITSPPOH-PZJWPPBQSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000673282502 1080966577 /nfs/dbraw/zinc/96/65/77/1080966577.db2.gz FDKXWOWITSPPOH-PZJWPPBQSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673282502 1080966567 /nfs/dbraw/zinc/96/65/67/1080966567.db2.gz FDKXWOWITSPPOH-PZJWPPBQSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673282502 1080966555 /nfs/dbraw/zinc/96/65/55/1080966555.db2.gz FDKXWOWITSPPOH-PZJWPPBQSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000673282506 1080966220 /nfs/dbraw/zinc/96/62/20/1080966220.db2.gz FDKXWOWITSPPOH-TZIWHRDSSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000673282506 1080966198 /nfs/dbraw/zinc/96/61/98/1080966198.db2.gz FDKXWOWITSPPOH-TZIWHRDSSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673282506 1080966179 /nfs/dbraw/zinc/96/61/79/1080966179.db2.gz FDKXWOWITSPPOH-TZIWHRDSSA-N 2 2 413.566 0.918 20 0 HCADLP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673282506 1080966151 /nfs/dbraw/zinc/96/61/51/1080966151.db2.gz FDKXWOWITSPPOH-TZIWHRDSSA-N 2 2 413.566 0.918 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000673282964 1080964298 /nfs/dbraw/zinc/96/42/98/1080964298.db2.gz HOMAAYVELCMOCS-FQEVSTJZSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000673282964 1080964285 /nfs/dbraw/zinc/96/42/85/1080964285.db2.gz HOMAAYVELCMOCS-FQEVSTJZSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000673282966 1080966031 /nfs/dbraw/zinc/96/60/31/1080966031.db2.gz HOMAAYVELCMOCS-HXUWFJFHSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000673282966 1080966014 /nfs/dbraw/zinc/96/60/14/1080966014.db2.gz HOMAAYVELCMOCS-HXUWFJFHSA-N 2 2 400.523 0.860 20 0 HCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673283690 1080967375 /nfs/dbraw/zinc/96/73/75/1080967375.db2.gz UPPLUCCLWOIZEC-MOPGFXCFSA-N 2 2 413.522 0.054 20 0 HCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673283690 1080967368 /nfs/dbraw/zinc/96/73/68/1080967368.db2.gz UPPLUCCLWOIZEC-MOPGFXCFSA-N 2 2 413.522 0.054 20 0 HCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673283690 1080967358 /nfs/dbraw/zinc/96/73/58/1080967358.db2.gz UPPLUCCLWOIZEC-MOPGFXCFSA-N 2 2 413.522 0.054 20 0 HCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673283690 1080967346 /nfs/dbraw/zinc/96/73/46/1080967346.db2.gz UPPLUCCLWOIZEC-MOPGFXCFSA-N 2 2 413.522 0.054 20 0 HCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673283697 1080967514 /nfs/dbraw/zinc/96/75/14/1080967514.db2.gz UPPLUCCLWOIZEC-OALUTQOASA-N 2 2 413.522 0.054 20 0 HCADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673283697 1080967497 /nfs/dbraw/zinc/96/74/97/1080967497.db2.gz UPPLUCCLWOIZEC-OALUTQOASA-N 2 2 413.522 0.054 20 0 HCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673283697 1080967476 /nfs/dbraw/zinc/96/74/76/1080967476.db2.gz UPPLUCCLWOIZEC-OALUTQOASA-N 2 2 413.522 0.054 20 0 HCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673283697 1080967467 /nfs/dbraw/zinc/96/74/67/1080967467.db2.gz UPPLUCCLWOIZEC-OALUTQOASA-N 2 2 413.522 0.054 20 0 HCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673283699 1080967201 /nfs/dbraw/zinc/96/72/01/1080967201.db2.gz UPPLUCCLWOIZEC-RBUKOAKNSA-N 2 2 413.522 0.054 20 0 HCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673283699 1080967188 /nfs/dbraw/zinc/96/71/88/1080967188.db2.gz UPPLUCCLWOIZEC-RBUKOAKNSA-N 2 2 413.522 0.054 20 0 HCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673283699 1080967181 /nfs/dbraw/zinc/96/71/81/1080967181.db2.gz UPPLUCCLWOIZEC-RBUKOAKNSA-N 2 2 413.522 0.054 20 0 HCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673283699 1080967163 /nfs/dbraw/zinc/96/71/63/1080967163.db2.gz UPPLUCCLWOIZEC-RBUKOAKNSA-N 2 2 413.522 0.054 20 0 HCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673283701 1080967640 /nfs/dbraw/zinc/96/76/40/1080967640.db2.gz UPPLUCCLWOIZEC-RTBURBONSA-N 2 2 413.522 0.054 20 0 HCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673283701 1080967616 /nfs/dbraw/zinc/96/76/16/1080967616.db2.gz UPPLUCCLWOIZEC-RTBURBONSA-N 2 2 413.522 0.054 20 0 HCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673283701 1080967600 /nfs/dbraw/zinc/96/76/00/1080967600.db2.gz UPPLUCCLWOIZEC-RTBURBONSA-N 2 2 413.522 0.054 20 0 HCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000673283701 1080967579 /nfs/dbraw/zinc/96/75/79/1080967579.db2.gz UPPLUCCLWOIZEC-RTBURBONSA-N 2 2 413.522 0.054 20 0 HCADLP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1 ZINC000673285222 1080974224 /nfs/dbraw/zinc/97/42/24/1080974224.db2.gz IBHGJOOIRVGNBU-NRFANRHFSA-N 2 2 413.566 0.775 20 0 HCADLP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1 ZINC000673285222 1080974218 /nfs/dbraw/zinc/97/42/18/1080974218.db2.gz IBHGJOOIRVGNBU-NRFANRHFSA-N 2 2 413.566 0.775 20 0 HCADLP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1 ZINC000673285228 1080974204 /nfs/dbraw/zinc/97/42/04/1080974204.db2.gz IBHGJOOIRVGNBU-OAQYLSRUSA-N 2 2 413.566 0.775 20 0 HCADLP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1 ZINC000673285228 1080974199 /nfs/dbraw/zinc/97/41/99/1080974199.db2.gz IBHGJOOIRVGNBU-OAQYLSRUSA-N 2 2 413.566 0.775 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000673286126 1080974164 /nfs/dbraw/zinc/97/41/64/1080974164.db2.gz RKYCWMIHALFULL-FXAWDEMLSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000673286126 1080974157 /nfs/dbraw/zinc/97/41/57/1080974157.db2.gz RKYCWMIHALFULL-FXAWDEMLSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000673286128 1080974308 /nfs/dbraw/zinc/97/43/08/1080974308.db2.gz RKYCWMIHALFULL-PXNSSMCTSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000673286128 1080974301 /nfs/dbraw/zinc/97/43/01/1080974301.db2.gz RKYCWMIHALFULL-PXNSSMCTSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000673287741 1080971918 /nfs/dbraw/zinc/97/19/18/1080971918.db2.gz DCOZYPDGOHIJKT-IBGZPJMESA-N 2 2 413.522 0.056 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000673287741 1080971904 /nfs/dbraw/zinc/97/19/04/1080971904.db2.gz DCOZYPDGOHIJKT-IBGZPJMESA-N 2 2 413.522 0.056 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000673287742 1080971984 /nfs/dbraw/zinc/97/19/84/1080971984.db2.gz DCOZYPDGOHIJKT-LJQANCHMSA-N 2 2 413.522 0.056 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000673287742 1080971977 /nfs/dbraw/zinc/97/19/77/1080971977.db2.gz DCOZYPDGOHIJKT-LJQANCHMSA-N 2 2 413.522 0.056 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000673289187 1080972620 /nfs/dbraw/zinc/97/26/20/1080972620.db2.gz RKYCWMIHALFULL-XLIONFOSSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000673289187 1080972611 /nfs/dbraw/zinc/97/26/11/1080972611.db2.gz RKYCWMIHALFULL-XLIONFOSSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000673289190 1080972455 /nfs/dbraw/zinc/97/24/55/1080972455.db2.gz RKYCWMIHALFULL-YLJYHZDGSA-N 2 2 400.523 0.860 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000673289190 1080972445 /nfs/dbraw/zinc/97/24/45/1080972445.db2.gz RKYCWMIHALFULL-YLJYHZDGSA-N 2 2 400.523 0.860 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673290120 1080973489 /nfs/dbraw/zinc/97/34/89/1080973489.db2.gz ZRJYIGKHFPQVNE-IBGZPJMESA-N 2 2 415.538 0.302 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673290120 1080973476 /nfs/dbraw/zinc/97/34/76/1080973476.db2.gz ZRJYIGKHFPQVNE-IBGZPJMESA-N 2 2 415.538 0.302 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673290121 1080973229 /nfs/dbraw/zinc/97/32/29/1080973229.db2.gz ZRJYIGKHFPQVNE-LJQANCHMSA-N 2 2 415.538 0.302 20 0 HCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673290121 1080973222 /nfs/dbraw/zinc/97/32/22/1080973222.db2.gz ZRJYIGKHFPQVNE-LJQANCHMSA-N 2 2 415.538 0.302 20 0 HCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000673293005 1080977112 /nfs/dbraw/zinc/97/71/12/1080977112.db2.gz LCNCIBKZLOYUIL-IBGZPJMESA-N 2 2 424.586 0.300 20 0 HCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000673293006 1080977062 /nfs/dbraw/zinc/97/70/62/1080977062.db2.gz LCNCIBKZLOYUIL-LJQANCHMSA-N 2 2 424.586 0.300 20 0 HCADLP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300267 1080978775 /nfs/dbraw/zinc/97/87/75/1080978775.db2.gz OJHKLXYWWNMFQS-INIZCTEOSA-N 2 2 410.478 0.529 20 0 HCADLP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300270 1080978667 /nfs/dbraw/zinc/97/86/67/1080978667.db2.gz OJHKLXYWWNMFQS-MRXNPFEDSA-N 2 2 410.478 0.529 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000673300489 1080978575 /nfs/dbraw/zinc/97/85/75/1080978575.db2.gz DEDASXHZMWIOGT-GOSISDBHSA-N 2 2 415.538 0.880 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000673300496 1080978802 /nfs/dbraw/zinc/97/88/02/1080978802.db2.gz DEDASXHZMWIOGT-SFHVURJKSA-N 2 2 415.538 0.880 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000673300696 1080982158 /nfs/dbraw/zinc/98/21/58/1080982158.db2.gz PPVXVNZYIWXXEG-GOSISDBHSA-N 2 2 401.511 0.347 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000673300697 1080982248 /nfs/dbraw/zinc/98/22/48/1080982248.db2.gz PPVXVNZYIWXXEG-SFHVURJKSA-N 2 2 401.511 0.347 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccn1 ZINC000673301566 1080982855 /nfs/dbraw/zinc/98/28/55/1080982855.db2.gz XBOKBZQYWUYFFT-KRWDZBQOSA-N 2 2 412.494 0.428 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccn1 ZINC000673301568 1080982762 /nfs/dbraw/zinc/98/27/62/1080982762.db2.gz XBOKBZQYWUYFFT-QGZVFWFLSA-N 2 2 412.494 0.428 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673301950 1080993675 /nfs/dbraw/zinc/99/36/75/1080993675.db2.gz PGSAEROVQLCAPA-GUDVDZBRSA-N 2 2 415.538 0.661 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673301951 1080994002 /nfs/dbraw/zinc/99/40/02/1080994002.db2.gz PGSAEROVQLCAPA-IPMKNSEASA-N 2 2 415.538 0.661 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673301952 1080993792 /nfs/dbraw/zinc/99/37/92/1080993792.db2.gz PGSAEROVQLCAPA-OTWHNJEPSA-N 2 2 415.538 0.661 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673301953 1080993512 /nfs/dbraw/zinc/99/35/12/1080993512.db2.gz PGSAEROVQLCAPA-QRVBRYPASA-N 2 2 415.538 0.661 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000673302105 1080992715 /nfs/dbraw/zinc/99/27/15/1080992715.db2.gz RHSGQNBIMSCPFO-GOSISDBHSA-N 2 2 401.511 0.347 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000673302106 1080992481 /nfs/dbraw/zinc/99/24/81/1080992481.db2.gz RHSGQNBIMSCPFO-SFHVURJKSA-N 2 2 401.511 0.347 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673302365 1080986152 /nfs/dbraw/zinc/98/61/52/1080986152.db2.gz VELZOUSSHJEZOG-CEXWTWQISA-N 2 2 414.554 0.261 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000673302366 1080985960 /nfs/dbraw/zinc/98/59/60/1080985960.db2.gz VELZOUSSHJEZOG-GUDVDZBRSA-N 2 2 414.554 0.261 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673302367 1080985701 /nfs/dbraw/zinc/98/57/01/1080985701.db2.gz VELZOUSSHJEZOG-QRVBRYPASA-N 2 2 414.554 0.261 20 0 HCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000673302368 1080986489 /nfs/dbraw/zinc/98/64/89/1080986489.db2.gz VELZOUSSHJEZOG-QYZOEREBSA-N 2 2 414.554 0.261 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673302793 1080984953 /nfs/dbraw/zinc/98/49/53/1080984953.db2.gz XAYBPHPJKCFXQK-ROUUACIJSA-N 2 2 401.511 0.347 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000673302794 1080984687 /nfs/dbraw/zinc/98/46/87/1080984687.db2.gz XAYBPHPJKCFXQK-ZWKOTPCHSA-N 2 2 401.511 0.347 20 0 HCADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302879 1080983606 /nfs/dbraw/zinc/98/36/06/1080983606.db2.gz YRHWHUOHLONYKT-MOPGFXCFSA-N 2 2 414.554 0.405 20 0 HCADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302879 1080983598 /nfs/dbraw/zinc/98/35/98/1080983598.db2.gz YRHWHUOHLONYKT-MOPGFXCFSA-N 2 2 414.554 0.405 20 0 HCADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302880 1080983916 /nfs/dbraw/zinc/98/39/16/1080983916.db2.gz YRHWHUOHLONYKT-OALUTQOASA-N 2 2 414.554 0.405 20 0 HCADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302880 1080983905 /nfs/dbraw/zinc/98/39/05/1080983905.db2.gz YRHWHUOHLONYKT-OALUTQOASA-N 2 2 414.554 0.405 20 0 HCADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302881 1080985139 /nfs/dbraw/zinc/98/51/39/1080985139.db2.gz YRHWHUOHLONYKT-RBUKOAKNSA-N 2 2 414.554 0.405 20 0 HCADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302881 1080985118 /nfs/dbraw/zinc/98/51/18/1080985118.db2.gz YRHWHUOHLONYKT-RBUKOAKNSA-N 2 2 414.554 0.405 20 0 HCADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302882 1080984634 /nfs/dbraw/zinc/98/46/34/1080984634.db2.gz YRHWHUOHLONYKT-RTBURBONSA-N 2 2 414.554 0.405 20 0 HCADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302882 1080984616 /nfs/dbraw/zinc/98/46/16/1080984616.db2.gz YRHWHUOHLONYKT-RTBURBONSA-N 2 2 414.554 0.405 20 0 HCADLP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673303267 1080985679 /nfs/dbraw/zinc/98/56/79/1080985679.db2.gz FVKUEGPKBZWWOP-KRWDZBQOSA-N 2 2 403.527 0.736 20 0 HCADLP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673303268 1080986264 /nfs/dbraw/zinc/98/62/64/1080986264.db2.gz FVKUEGPKBZWWOP-QGZVFWFLSA-N 2 2 403.527 0.736 20 0 HCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304149 1080986771 /nfs/dbraw/zinc/98/67/71/1080986771.db2.gz NZRCNVMJPRJPBG-DLBZAZTESA-N 2 2 401.511 0.488 20 0 HCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304149 1080986766 /nfs/dbraw/zinc/98/67/66/1080986766.db2.gz NZRCNVMJPRJPBG-DLBZAZTESA-N 2 2 401.511 0.488 20 0 HCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304150 1080986942 /nfs/dbraw/zinc/98/69/42/1080986942.db2.gz NZRCNVMJPRJPBG-IAGOWNOFSA-N 2 2 401.511 0.488 20 0 HCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304150 1080986915 /nfs/dbraw/zinc/98/69/15/1080986915.db2.gz NZRCNVMJPRJPBG-IAGOWNOFSA-N 2 2 401.511 0.488 20 0 HCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304151 1080987344 /nfs/dbraw/zinc/98/73/44/1080987344.db2.gz NZRCNVMJPRJPBG-IRXDYDNUSA-N 2 2 401.511 0.488 20 0 HCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304151 1080987330 /nfs/dbraw/zinc/98/73/30/1080987330.db2.gz NZRCNVMJPRJPBG-IRXDYDNUSA-N 2 2 401.511 0.488 20 0 HCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304152 1080987711 /nfs/dbraw/zinc/98/77/11/1080987711.db2.gz NZRCNVMJPRJPBG-SJORKVTESA-N 2 2 401.511 0.488 20 0 HCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304152 1080987695 /nfs/dbraw/zinc/98/76/95/1080987695.db2.gz NZRCNVMJPRJPBG-SJORKVTESA-N 2 2 401.511 0.488 20 0 HCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673304222 1080985792 /nfs/dbraw/zinc/98/57/92/1080985792.db2.gz XUDUWHGCPFKGPV-GOSISDBHSA-N 2 2 403.527 0.782 20 0 HCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673304223 1080986437 /nfs/dbraw/zinc/98/64/37/1080986437.db2.gz XUDUWHGCPFKGPV-SFHVURJKSA-N 2 2 403.527 0.782 20 0 HCADLP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)CC1 ZINC000673304232 1080988390 /nfs/dbraw/zinc/98/83/90/1080988390.db2.gz YAOFCVDYYOEHQL-IBGZPJMESA-N 2 2 414.554 0.263 20 0 HCADLP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)CC1 ZINC000673304233 1080988663 /nfs/dbraw/zinc/98/86/63/1080988663.db2.gz YAOFCVDYYOEHQL-LJQANCHMSA-N 2 2 414.554 0.263 20 0 HCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)C1 ZINC000673304309 1080989865 /nfs/dbraw/zinc/98/98/65/1080989865.db2.gz QWHGRKNWEFNCFR-MSOLQXFVSA-N 2 2 400.527 0.015 20 0 HCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)C1 ZINC000673304309 1080989854 /nfs/dbraw/zinc/98/98/54/1080989854.db2.gz QWHGRKNWEFNCFR-MSOLQXFVSA-N 2 2 400.527 0.015 20 0 HCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)C1 ZINC000673304310 1080989955 /nfs/dbraw/zinc/98/99/55/1080989955.db2.gz QWHGRKNWEFNCFR-QZTJIDSGSA-N 2 2 400.527 0.015 20 0 HCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)C1 ZINC000673304310 1080989932 /nfs/dbraw/zinc/98/99/32/1080989932.db2.gz QWHGRKNWEFNCFR-QZTJIDSGSA-N 2 2 400.527 0.015 20 0 HCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)C1 ZINC000673304311 1080989495 /nfs/dbraw/zinc/98/94/95/1080989495.db2.gz QWHGRKNWEFNCFR-ROUUACIJSA-N 2 2 400.527 0.015 20 0 HCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)C1 ZINC000673304311 1080989476 /nfs/dbraw/zinc/98/94/76/1080989476.db2.gz QWHGRKNWEFNCFR-ROUUACIJSA-N 2 2 400.527 0.015 20 0 HCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)C1 ZINC000673304312 1080989191 /nfs/dbraw/zinc/98/91/91/1080989191.db2.gz QWHGRKNWEFNCFR-ZWKOTPCHSA-N 2 2 400.527 0.015 20 0 HCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)C1 ZINC000673304312 1080989173 /nfs/dbraw/zinc/98/91/73/1080989173.db2.gz QWHGRKNWEFNCFR-ZWKOTPCHSA-N 2 2 400.527 0.015 20 0 HCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673304371 1080989086 /nfs/dbraw/zinc/98/90/86/1080989086.db2.gz SSLADANZYVSEKJ-MSOLQXFVSA-N 2 2 403.527 0.736 20 0 HCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673304372 1080989250 /nfs/dbraw/zinc/98/92/50/1080989250.db2.gz SSLADANZYVSEKJ-QZTJIDSGSA-N 2 2 403.527 0.736 20 0 HCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673304373 1080990113 /nfs/dbraw/zinc/99/01/13/1080990113.db2.gz SSLADANZYVSEKJ-ROUUACIJSA-N 2 2 403.527 0.736 20 0 HCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673304374 1080989777 /nfs/dbraw/zinc/98/97/77/1080989777.db2.gz SSLADANZYVSEKJ-ZWKOTPCHSA-N 2 2 403.527 0.736 20 0 HCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304387 1080989651 /nfs/dbraw/zinc/98/96/51/1080989651.db2.gz TXQINSKFHWYAOQ-PMACEKPBSA-N 2 2 423.517 0.660 20 0 HCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304387 1080989634 /nfs/dbraw/zinc/98/96/34/1080989634.db2.gz TXQINSKFHWYAOQ-PMACEKPBSA-N 2 2 423.517 0.660 20 0 HCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304388 1080989403 /nfs/dbraw/zinc/98/94/03/1080989403.db2.gz TXQINSKFHWYAOQ-UXHICEINSA-N 2 2 423.517 0.660 20 0 HCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304388 1080989396 /nfs/dbraw/zinc/98/93/96/1080989396.db2.gz TXQINSKFHWYAOQ-UXHICEINSA-N 2 2 423.517 0.660 20 0 HCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304390 1080990975 /nfs/dbraw/zinc/99/09/75/1080990975.db2.gz TXQINSKFHWYAOQ-VQTJNVASSA-N 2 2 423.517 0.660 20 0 HCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304390 1080990965 /nfs/dbraw/zinc/99/09/65/1080990965.db2.gz TXQINSKFHWYAOQ-VQTJNVASSA-N 2 2 423.517 0.660 20 0 HCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304392 1080990605 /nfs/dbraw/zinc/99/06/05/1080990605.db2.gz TXQINSKFHWYAOQ-WOJBJXKFSA-N 2 2 423.517 0.660 20 0 HCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304392 1080990591 /nfs/dbraw/zinc/99/05/91/1080990591.db2.gz TXQINSKFHWYAOQ-WOJBJXKFSA-N 2 2 423.517 0.660 20 0 HCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)c1 ZINC000673304639 1080990068 /nfs/dbraw/zinc/99/00/68/1080990068.db2.gz UWYXZJGAEACAMH-INIZCTEOSA-N 2 2 410.478 0.529 20 0 HCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)c1 ZINC000673304640 1080989555 /nfs/dbraw/zinc/98/95/55/1080989555.db2.gz UWYXZJGAEACAMH-MRXNPFEDSA-N 2 2 410.478 0.529 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000673304715 1080990014 /nfs/dbraw/zinc/99/00/14/1080990014.db2.gz XAYBPHPJKCFXQK-MSOLQXFVSA-N 2 2 401.511 0.347 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000673304716 1080989706 /nfs/dbraw/zinc/98/97/06/1080989706.db2.gz XAYBPHPJKCFXQK-QZTJIDSGSA-N 2 2 401.511 0.347 20 0 HCADLP C[C@@H](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307605 1080991978 /nfs/dbraw/zinc/99/19/78/1080991978.db2.gz KWHHRGWWSSVIMV-AZUAARDMSA-N 3 2 407.603 0.994 20 0 HCADLP C[C@@H](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307605 1080991969 /nfs/dbraw/zinc/99/19/69/1080991969.db2.gz KWHHRGWWSSVIMV-AZUAARDMSA-N 3 2 407.603 0.994 20 0 HCADLP C[C@@H](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307606 1080991792 /nfs/dbraw/zinc/99/17/92/1080991792.db2.gz KWHHRGWWSSVIMV-ICSRJNTNSA-N 3 2 407.603 0.994 20 0 HCADLP C[C@@H](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307606 1080991787 /nfs/dbraw/zinc/99/17/87/1080991787.db2.gz KWHHRGWWSSVIMV-ICSRJNTNSA-N 3 2 407.603 0.994 20 0 HCADLP C[C@H](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307607 1080991520 /nfs/dbraw/zinc/99/15/20/1080991520.db2.gz KWHHRGWWSSVIMV-QUCCMNQESA-N 3 2 407.603 0.994 20 0 HCADLP C[C@H](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307607 1080991492 /nfs/dbraw/zinc/99/14/92/1080991492.db2.gz KWHHRGWWSSVIMV-QUCCMNQESA-N 3 2 407.603 0.994 20 0 HCADLP C[C@H](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307608 1080991901 /nfs/dbraw/zinc/99/19/01/1080991901.db2.gz KWHHRGWWSSVIMV-UYAOXDASSA-N 3 2 407.603 0.994 20 0 HCADLP C[C@H](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307608 1080991880 /nfs/dbraw/zinc/99/18/80/1080991880.db2.gz KWHHRGWWSSVIMV-UYAOXDASSA-N 3 2 407.603 0.994 20 0 HCADLP CNC(=O)C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000673318759 1081002541 /nfs/dbraw/zinc/00/25/41/1081002541.db2.gz SFVMSICEPGEFSB-IBGZPJMESA-N 2 2 417.554 0.464 20 0 HCADLP CNC(=O)C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000673318759 1081002530 /nfs/dbraw/zinc/00/25/30/1081002530.db2.gz SFVMSICEPGEFSB-IBGZPJMESA-N 2 2 417.554 0.464 20 0 HCADLP CNC(=O)C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000673318760 1081002765 /nfs/dbraw/zinc/00/27/65/1081002765.db2.gz SFVMSICEPGEFSB-LJQANCHMSA-N 2 2 417.554 0.464 20 0 HCADLP CNC(=O)C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000673318760 1081002759 /nfs/dbraw/zinc/00/27/59/1081002759.db2.gz SFVMSICEPGEFSB-LJQANCHMSA-N 2 2 417.554 0.464 20 0 HCADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000673330219 1081008944 /nfs/dbraw/zinc/00/89/44/1081008944.db2.gz WONRNPWLVTWSNO-UHFFFAOYSA-N 2 2 418.538 0.050 20 0 HCADLP CCc1cnc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673333984 1081007389 /nfs/dbraw/zinc/00/73/89/1081007389.db2.gz XZIQWNFXHHXNCM-INIZCTEOSA-N 2 2 407.584 0.991 20 0 HCADLP CCc1cnc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673333984 1081007384 /nfs/dbraw/zinc/00/73/84/1081007384.db2.gz XZIQWNFXHHXNCM-INIZCTEOSA-N 2 2 407.584 0.991 20 0 HCADLP CCc1cnc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673333985 1081007616 /nfs/dbraw/zinc/00/76/16/1081007616.db2.gz XZIQWNFXHHXNCM-MRXNPFEDSA-N 2 2 407.584 0.991 20 0 HCADLP CCc1cnc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000673333985 1081007607 /nfs/dbraw/zinc/00/76/07/1081007607.db2.gz XZIQWNFXHHXNCM-MRXNPFEDSA-N 2 2 407.584 0.991 20 0 HCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000673347602 1081022967 /nfs/dbraw/zinc/02/29/67/1081022967.db2.gz IOSVWQYWRSTRDE-IBGZPJMESA-N 2 2 406.502 0.697 20 0 HCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000673347602 1081022955 /nfs/dbraw/zinc/02/29/55/1081022955.db2.gz IOSVWQYWRSTRDE-IBGZPJMESA-N 2 2 406.502 0.697 20 0 HCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000673347603 1081022705 /nfs/dbraw/zinc/02/27/05/1081022705.db2.gz IOSVWQYWRSTRDE-LJQANCHMSA-N 2 2 406.502 0.697 20 0 HCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccc(F)cc1 ZINC000673347603 1081022695 /nfs/dbraw/zinc/02/26/95/1081022695.db2.gz IOSVWQYWRSTRDE-LJQANCHMSA-N 2 2 406.502 0.697 20 0 HCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000673348681 1081025464 /nfs/dbraw/zinc/02/54/64/1081025464.db2.gz AZJFZSUKDSDOLB-UHFFFAOYSA-N 2 2 408.518 0.943 20 0 HCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000673348681 1081025459 /nfs/dbraw/zinc/02/54/59/1081025459.db2.gz AZJFZSUKDSDOLB-UHFFFAOYSA-N 2 2 408.518 0.943 20 0 HCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000673348681 1081025450 /nfs/dbraw/zinc/02/54/50/1081025450.db2.gz AZJFZSUKDSDOLB-UHFFFAOYSA-N 2 2 408.518 0.943 20 0 HCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000673348681 1081025440 /nfs/dbraw/zinc/02/54/40/1081025440.db2.gz AZJFZSUKDSDOLB-UHFFFAOYSA-N 2 2 408.518 0.943 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673359029 1081029966 /nfs/dbraw/zinc/02/99/66/1081029966.db2.gz WCIYKHZUPLRMHN-GOSISDBHSA-N 2 2 421.586 0.378 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673359029 1081029957 /nfs/dbraw/zinc/02/99/57/1081029957.db2.gz WCIYKHZUPLRMHN-GOSISDBHSA-N 2 2 421.586 0.378 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673359030 1081030055 /nfs/dbraw/zinc/03/00/55/1081030055.db2.gz WCIYKHZUPLRMHN-SFHVURJKSA-N 2 2 421.586 0.378 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673359030 1081030044 /nfs/dbraw/zinc/03/00/44/1081030044.db2.gz WCIYKHZUPLRMHN-SFHVURJKSA-N 2 2 421.586 0.378 20 0 HCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000673370761 1081039495 /nfs/dbraw/zinc/03/94/95/1081039495.db2.gz JFQKEXVISOVXPN-UHFFFAOYSA-N 2 2 424.586 0.300 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673374570 1081038709 /nfs/dbraw/zinc/03/87/09/1081038709.db2.gz GLXUMPOZQRBVCJ-MSOLQXFVSA-N 2 2 410.559 0.221 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673374570 1081038693 /nfs/dbraw/zinc/03/86/93/1081038693.db2.gz GLXUMPOZQRBVCJ-MSOLQXFVSA-N 2 2 410.559 0.221 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673374572 1081038644 /nfs/dbraw/zinc/03/86/44/1081038644.db2.gz GLXUMPOZQRBVCJ-QZTJIDSGSA-N 2 2 410.559 0.221 20 0 HCADLP C[C@@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000673374572 1081038640 /nfs/dbraw/zinc/03/86/40/1081038640.db2.gz GLXUMPOZQRBVCJ-QZTJIDSGSA-N 2 2 410.559 0.221 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673374574 1081038892 /nfs/dbraw/zinc/03/88/92/1081038892.db2.gz GLXUMPOZQRBVCJ-ROUUACIJSA-N 2 2 410.559 0.221 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673374574 1081038884 /nfs/dbraw/zinc/03/88/84/1081038884.db2.gz GLXUMPOZQRBVCJ-ROUUACIJSA-N 2 2 410.559 0.221 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673374575 1081038577 /nfs/dbraw/zinc/03/85/77/1081038577.db2.gz GLXUMPOZQRBVCJ-ZWKOTPCHSA-N 2 2 410.559 0.221 20 0 HCADLP C[C@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000673374575 1081038568 /nfs/dbraw/zinc/03/85/68/1081038568.db2.gz GLXUMPOZQRBVCJ-ZWKOTPCHSA-N 2 2 410.559 0.221 20 0 HCADLP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673377520 1081041750 /nfs/dbraw/zinc/04/17/50/1081041750.db2.gz ZOCWNWUTTQEKJM-IBGZPJMESA-N 3 2 407.603 0.852 20 0 HCADLP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673377520 1081041744 /nfs/dbraw/zinc/04/17/44/1081041744.db2.gz ZOCWNWUTTQEKJM-IBGZPJMESA-N 3 2 407.603 0.852 20 0 HCADLP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673377523 1081041693 /nfs/dbraw/zinc/04/16/93/1081041693.db2.gz ZOCWNWUTTQEKJM-LJQANCHMSA-N 3 2 407.603 0.852 20 0 HCADLP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673377523 1081041685 /nfs/dbraw/zinc/04/16/85/1081041685.db2.gz ZOCWNWUTTQEKJM-LJQANCHMSA-N 3 2 407.603 0.852 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000673395380 1081055001 /nfs/dbraw/zinc/05/50/01/1081055001.db2.gz ZYEGQFOLEFFRFE-GOSISDBHSA-N 2 2 416.526 0.283 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000673395380 1081054993 /nfs/dbraw/zinc/05/49/93/1081054993.db2.gz ZYEGQFOLEFFRFE-GOSISDBHSA-N 2 2 416.526 0.283 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000673395385 1081055155 /nfs/dbraw/zinc/05/51/55/1081055155.db2.gz ZYEGQFOLEFFRFE-SFHVURJKSA-N 2 2 416.526 0.283 20 0 HCADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000673395385 1081055145 /nfs/dbraw/zinc/05/51/45/1081055145.db2.gz ZYEGQFOLEFFRFE-SFHVURJKSA-N 2 2 416.526 0.283 20 0 HCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673424321 1081074158 /nfs/dbraw/zinc/07/41/58/1081074158.db2.gz VGCXUMYZPLVPMZ-PMACEKPBSA-N 2 2 411.506 0.930 20 0 HCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673424321 1081074156 /nfs/dbraw/zinc/07/41/56/1081074156.db2.gz VGCXUMYZPLVPMZ-PMACEKPBSA-N 2 2 411.506 0.930 20 0 HCADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673424323 1081074276 /nfs/dbraw/zinc/07/42/76/1081074276.db2.gz VGCXUMYZPLVPMZ-UXHICEINSA-N 2 2 411.506 0.930 20 0 HCADLP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673424323 1081074267 /nfs/dbraw/zinc/07/42/67/1081074267.db2.gz VGCXUMYZPLVPMZ-UXHICEINSA-N 2 2 411.506 0.930 20 0 HCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426852 1081083699 /nfs/dbraw/zinc/08/36/99/1081083699.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426852 1081083697 /nfs/dbraw/zinc/08/36/97/1081083697.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426852 1081083694 /nfs/dbraw/zinc/08/36/94/1081083694.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426852 1081083692 /nfs/dbraw/zinc/08/36/92/1081083692.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426853 1081083632 /nfs/dbraw/zinc/08/36/32/1081083632.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426853 1081083627 /nfs/dbraw/zinc/08/36/27/1081083627.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426853 1081083622 /nfs/dbraw/zinc/08/36/22/1081083622.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426853 1081083618 /nfs/dbraw/zinc/08/36/18/1081083618.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426854 1081083575 /nfs/dbraw/zinc/08/35/75/1081083575.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426854 1081083570 /nfs/dbraw/zinc/08/35/70/1081083570.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426854 1081083563 /nfs/dbraw/zinc/08/35/63/1081083563.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426854 1081083552 /nfs/dbraw/zinc/08/35/52/1081083552.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426855 1081083748 /nfs/dbraw/zinc/08/37/48/1081083748.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426855 1081083744 /nfs/dbraw/zinc/08/37/44/1081083744.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426855 1081083742 /nfs/dbraw/zinc/08/37/42/1081083742.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426855 1081083739 /nfs/dbraw/zinc/08/37/39/1081083739.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 3 2 423.602 0.230 20 0 HCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000673427375 1081085578 /nfs/dbraw/zinc/08/55/78/1081085578.db2.gz JMTUOHXPGJZLFF-IBGZPJMESA-N 2 2 402.539 0.948 20 0 HCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000673427375 1081085568 /nfs/dbraw/zinc/08/55/68/1081085568.db2.gz JMTUOHXPGJZLFF-IBGZPJMESA-N 2 2 402.539 0.948 20 0 HCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000673427380 1081085693 /nfs/dbraw/zinc/08/56/93/1081085693.db2.gz JMTUOHXPGJZLFF-LJQANCHMSA-N 2 2 402.539 0.948 20 0 HCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000673427380 1081085682 /nfs/dbraw/zinc/08/56/82/1081085682.db2.gz JMTUOHXPGJZLFF-LJQANCHMSA-N 2 2 402.539 0.948 20 0 HCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCCO1 ZINC000673427744 1081084796 /nfs/dbraw/zinc/08/47/96/1081084796.db2.gz DWAODRXWNMOMCL-MOPGFXCFSA-N 2 2 410.559 0.317 20 0 HCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCCO1 ZINC000673427744 1081084789 /nfs/dbraw/zinc/08/47/89/1081084789.db2.gz DWAODRXWNMOMCL-MOPGFXCFSA-N 2 2 410.559 0.317 20 0 HCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCCO1 ZINC000673427745 1081085210 /nfs/dbraw/zinc/08/52/10/1081085210.db2.gz DWAODRXWNMOMCL-OALUTQOASA-N 2 2 410.559 0.317 20 0 HCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCCO1 ZINC000673427745 1081085202 /nfs/dbraw/zinc/08/52/02/1081085202.db2.gz DWAODRXWNMOMCL-OALUTQOASA-N 2 2 410.559 0.317 20 0 HCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCCO1 ZINC000673427746 1081085281 /nfs/dbraw/zinc/08/52/81/1081085281.db2.gz DWAODRXWNMOMCL-RBUKOAKNSA-N 2 2 410.559 0.317 20 0 HCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCCO1 ZINC000673427746 1081085274 /nfs/dbraw/zinc/08/52/74/1081085274.db2.gz DWAODRXWNMOMCL-RBUKOAKNSA-N 2 2 410.559 0.317 20 0 HCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCCO1 ZINC000673427748 1081085242 /nfs/dbraw/zinc/08/52/42/1081085242.db2.gz DWAODRXWNMOMCL-RTBURBONSA-N 2 2 410.559 0.317 20 0 HCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCCO1 ZINC000673427748 1081085235 /nfs/dbraw/zinc/08/52/35/1081085235.db2.gz DWAODRXWNMOMCL-RTBURBONSA-N 2 2 410.559 0.317 20 0 HCADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000673428932 1081089781 /nfs/dbraw/zinc/08/97/81/1081089781.db2.gz GSAIRIMLUAOGAH-NRFANRHFSA-N 2 2 403.527 0.426 20 0 HCADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000673428933 1081089619 /nfs/dbraw/zinc/08/96/19/1081089619.db2.gz GSAIRIMLUAOGAH-OAQYLSRUSA-N 2 2 403.527 0.426 20 0 HCADLP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1c1ccccc1 ZINC000673453559 1081139702 /nfs/dbraw/zinc/13/97/02/1081139702.db2.gz VLUHSBKORZBOSD-AABGKKOBSA-N 2 2 400.523 0.871 20 0 HCADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1c1ccccc1 ZINC000673453559 1081139693 /nfs/dbraw/zinc/13/96/93/1081139693.db2.gz VLUHSBKORZBOSD-AABGKKOBSA-N 2 2 400.523 0.871 20 0 HCADLP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1c1ccccc1 ZINC000673453563 1081140054 /nfs/dbraw/zinc/14/00/54/1081140054.db2.gz VLUHSBKORZBOSD-HSALFYBXSA-N 2 2 400.523 0.871 20 0 HCADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1c1ccccc1 ZINC000673453563 1081140047 /nfs/dbraw/zinc/14/00/47/1081140047.db2.gz VLUHSBKORZBOSD-HSALFYBXSA-N 2 2 400.523 0.871 20 0 HCADLP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1c1ccccc1 ZINC000673453565 1081139816 /nfs/dbraw/zinc/13/98/16/1081139816.db2.gz VLUHSBKORZBOSD-SLFFLAALSA-N 2 2 400.523 0.871 20 0 HCADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1c1ccccc1 ZINC000673453565 1081139792 /nfs/dbraw/zinc/13/97/92/1081139792.db2.gz VLUHSBKORZBOSD-SLFFLAALSA-N 2 2 400.523 0.871 20 0 HCADLP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1c1ccccc1 ZINC000673453566 1081139632 /nfs/dbraw/zinc/13/96/32/1081139632.db2.gz VLUHSBKORZBOSD-UFYCRDLUSA-N 2 2 400.523 0.871 20 0 HCADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1c1ccccc1 ZINC000673453566 1081139624 /nfs/dbraw/zinc/13/96/24/1081139624.db2.gz VLUHSBKORZBOSD-UFYCRDLUSA-N 2 2 400.523 0.871 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673515970 1081206613 /nfs/dbraw/zinc/20/66/13/1081206613.db2.gz FJQKPUOMVUHKJQ-MSOLQXFVSA-N 2 2 401.511 0.178 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515970 1081206603 /nfs/dbraw/zinc/20/66/03/1081206603.db2.gz FJQKPUOMVUHKJQ-MSOLQXFVSA-N 2 2 401.511 0.178 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673515973 1081206283 /nfs/dbraw/zinc/20/62/83/1081206283.db2.gz FJQKPUOMVUHKJQ-QZTJIDSGSA-N 2 2 401.511 0.178 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515973 1081206264 /nfs/dbraw/zinc/20/62/64/1081206264.db2.gz FJQKPUOMVUHKJQ-QZTJIDSGSA-N 2 2 401.511 0.178 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673515977 1081206542 /nfs/dbraw/zinc/20/65/42/1081206542.db2.gz FJQKPUOMVUHKJQ-ROUUACIJSA-N 2 2 401.511 0.178 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515977 1081206528 /nfs/dbraw/zinc/20/65/28/1081206528.db2.gz FJQKPUOMVUHKJQ-ROUUACIJSA-N 2 2 401.511 0.178 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673515980 1081206411 /nfs/dbraw/zinc/20/64/11/1081206411.db2.gz FJQKPUOMVUHKJQ-ZWKOTPCHSA-N 2 2 401.511 0.178 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515980 1081206399 /nfs/dbraw/zinc/20/63/99/1081206399.db2.gz FJQKPUOMVUHKJQ-ZWKOTPCHSA-N 2 2 401.511 0.178 20 0 HCADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)N1CC[NH+](C)CC1 ZINC000673534089 1081218098 /nfs/dbraw/zinc/21/80/98/1081218098.db2.gz QOSNFOHIKRUOMO-KRWDZBQOSA-N 2 2 415.538 0.309 20 0 HCADLP C[C@@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)N1CC[NH+](C)CC1 ZINC000673534089 1081218082 /nfs/dbraw/zinc/21/80/82/1081218082.db2.gz QOSNFOHIKRUOMO-KRWDZBQOSA-N 2 2 415.538 0.309 20 0 HCADLP C[C@H](C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)N1CC[NH+](C)CC1 ZINC000673534090 1081218209 /nfs/dbraw/zinc/21/82/09/1081218209.db2.gz QOSNFOHIKRUOMO-QGZVFWFLSA-N 2 2 415.538 0.309 20 0 HCADLP C[C@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)N1CC[NH+](C)CC1 ZINC000673534090 1081218203 /nfs/dbraw/zinc/21/82/03/1081218203.db2.gz QOSNFOHIKRUOMO-QGZVFWFLSA-N 2 2 415.538 0.309 20 0 HCADLP CC[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000673538114 1081228181 /nfs/dbraw/zinc/22/81/81/1081228181.db2.gz WXUDCSGDMJGNSF-GOSISDBHSA-N 2 2 418.538 0.949 20 0 HCADLP CC[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000673538114 1081228164 /nfs/dbraw/zinc/22/81/64/1081228164.db2.gz WXUDCSGDMJGNSF-GOSISDBHSA-N 2 2 418.538 0.949 20 0 HCADLP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000673538114 1081228152 /nfs/dbraw/zinc/22/81/52/1081228152.db2.gz WXUDCSGDMJGNSF-GOSISDBHSA-N 2 2 418.538 0.949 20 0 HCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000673538114 1081228148 /nfs/dbraw/zinc/22/81/48/1081228148.db2.gz WXUDCSGDMJGNSF-GOSISDBHSA-N 2 2 418.538 0.949 20 0 HCADLP CC[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000673538115 1081228051 /nfs/dbraw/zinc/22/80/51/1081228051.db2.gz WXUDCSGDMJGNSF-SFHVURJKSA-N 2 2 418.538 0.949 20 0 HCADLP CC[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000673538115 1081228035 /nfs/dbraw/zinc/22/80/35/1081228035.db2.gz WXUDCSGDMJGNSF-SFHVURJKSA-N 2 2 418.538 0.949 20 0 HCADLP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000673538115 1081228022 /nfs/dbraw/zinc/22/80/22/1081228022.db2.gz WXUDCSGDMJGNSF-SFHVURJKSA-N 2 2 418.538 0.949 20 0 HCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000673538115 1081228012 /nfs/dbraw/zinc/22/80/12/1081228012.db2.gz WXUDCSGDMJGNSF-SFHVURJKSA-N 2 2 418.538 0.949 20 0 HCADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000673538373 1081227502 /nfs/dbraw/zinc/22/75/02/1081227502.db2.gz IGRFYSOTFOOUCA-DLBZAZTESA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)C2)cc(OC)c1 ZINC000673538373 1081227493 /nfs/dbraw/zinc/22/74/93/1081227493.db2.gz IGRFYSOTFOOUCA-DLBZAZTESA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[NH+](C)C3)C2)cc(OC)c1 ZINC000673538373 1081227481 /nfs/dbraw/zinc/22/74/81/1081227481.db2.gz IGRFYSOTFOOUCA-DLBZAZTESA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[NH+](C)C3)C2)cc(OC)c1 ZINC000673538373 1081227473 /nfs/dbraw/zinc/22/74/73/1081227473.db2.gz IGRFYSOTFOOUCA-DLBZAZTESA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000673538374 1081227539 /nfs/dbraw/zinc/22/75/39/1081227539.db2.gz IGRFYSOTFOOUCA-IAGOWNOFSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)cc(OC)c1 ZINC000673538374 1081227537 /nfs/dbraw/zinc/22/75/37/1081227537.db2.gz IGRFYSOTFOOUCA-IAGOWNOFSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[NH+](C)C3)C2)cc(OC)c1 ZINC000673538374 1081227535 /nfs/dbraw/zinc/22/75/35/1081227535.db2.gz IGRFYSOTFOOUCA-IAGOWNOFSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[NH+](C)C3)C2)cc(OC)c1 ZINC000673538374 1081227533 /nfs/dbraw/zinc/22/75/33/1081227533.db2.gz IGRFYSOTFOOUCA-IAGOWNOFSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000673538375 1081226980 /nfs/dbraw/zinc/22/69/80/1081226980.db2.gz IGRFYSOTFOOUCA-IRXDYDNUSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)C2)cc(OC)c1 ZINC000673538375 1081226964 /nfs/dbraw/zinc/22/69/64/1081226964.db2.gz IGRFYSOTFOOUCA-IRXDYDNUSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+](C)C3)C2)cc(OC)c1 ZINC000673538375 1081226950 /nfs/dbraw/zinc/22/69/50/1081226950.db2.gz IGRFYSOTFOOUCA-IRXDYDNUSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+](C)C3)C2)cc(OC)c1 ZINC000673538375 1081226937 /nfs/dbraw/zinc/22/69/37/1081226937.db2.gz IGRFYSOTFOOUCA-IRXDYDNUSA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000673538376 1081227261 /nfs/dbraw/zinc/22/72/61/1081227261.db2.gz IGRFYSOTFOOUCA-SJORKVTESA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)cc(OC)c1 ZINC000673538376 1081227250 /nfs/dbraw/zinc/22/72/50/1081227250.db2.gz IGRFYSOTFOOUCA-SJORKVTESA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+](C)C3)C2)cc(OC)c1 ZINC000673538376 1081227233 /nfs/dbraw/zinc/22/72/33/1081227233.db2.gz IGRFYSOTFOOUCA-SJORKVTESA-N 2 2 404.511 0.605 20 0 HCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+](C)C3)C2)cc(OC)c1 ZINC000673538376 1081227215 /nfs/dbraw/zinc/22/72/15/1081227215.db2.gz IGRFYSOTFOOUCA-SJORKVTESA-N 2 2 404.511 0.605 20 0 HCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000673582074 1081318507 /nfs/dbraw/zinc/31/85/07/1081318507.db2.gz YJNUALALEFCECP-CALCHBBNSA-N 2 2 421.542 0.206 20 0 HCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000673582074 1081318501 /nfs/dbraw/zinc/31/85/01/1081318501.db2.gz YJNUALALEFCECP-CALCHBBNSA-N 2 2 421.542 0.206 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccn1 ZINC000673582401 1081318176 /nfs/dbraw/zinc/31/81/76/1081318176.db2.gz IFLMWSFSRUNHOA-KRWDZBQOSA-N 2 2 400.483 0.698 20 0 HCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccn1 ZINC000673582402 1081318142 /nfs/dbraw/zinc/31/81/42/1081318142.db2.gz IFLMWSFSRUNHOA-QGZVFWFLSA-N 2 2 400.483 0.698 20 0 HCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673582813 1081321095 /nfs/dbraw/zinc/32/10/95/1081321095.db2.gz YZVXXXPKUCQNIU-PMACEKPBSA-N 2 2 400.523 0.612 20 0 HCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673582814 1081321152 /nfs/dbraw/zinc/32/11/52/1081321152.db2.gz YZVXXXPKUCQNIU-UXHICEINSA-N 2 2 400.523 0.612 20 0 HCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673582815 1081321003 /nfs/dbraw/zinc/32/10/03/1081321003.db2.gz YZVXXXPKUCQNIU-VQTJNVASSA-N 2 2 400.523 0.612 20 0 HCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673582816 1081320955 /nfs/dbraw/zinc/32/09/55/1081320955.db2.gz YZVXXXPKUCQNIU-WOJBJXKFSA-N 2 2 400.523 0.612 20 0 HCADLP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673583354 1081316778 /nfs/dbraw/zinc/31/67/78/1081316778.db2.gz ABSWHUBNMYQYQU-LEWJYISDSA-N 2 2 414.550 0.825 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673583355 1081316946 /nfs/dbraw/zinc/31/69/46/1081316946.db2.gz ABSWHUBNMYQYQU-NHCUHLMSSA-N 2 2 414.550 0.825 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673583356 1081317310 /nfs/dbraw/zinc/31/73/10/1081317310.db2.gz ABSWHUBNMYQYQU-RTWAWAEBSA-N 2 2 414.550 0.825 20 0 HCADLP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673583357 1081317415 /nfs/dbraw/zinc/31/74/15/1081317415.db2.gz ABSWHUBNMYQYQU-SFTDATJTSA-N 2 2 414.550 0.825 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583507 1081316737 /nfs/dbraw/zinc/31/67/37/1081316737.db2.gz WNVAQQZOBJJFFX-AABGKKOBSA-N 2 2 400.523 0.783 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583507 1081316732 /nfs/dbraw/zinc/31/67/32/1081316732.db2.gz WNVAQQZOBJJFFX-AABGKKOBSA-N 2 2 400.523 0.783 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583508 1081316913 /nfs/dbraw/zinc/31/69/13/1081316913.db2.gz WNVAQQZOBJJFFX-AQNXPRMDSA-N 2 2 400.523 0.783 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583508 1081316908 /nfs/dbraw/zinc/31/69/08/1081316908.db2.gz WNVAQQZOBJJFFX-AQNXPRMDSA-N 2 2 400.523 0.783 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673583509 1081316824 /nfs/dbraw/zinc/31/68/24/1081316824.db2.gz WNVAQQZOBJJFFX-HSALFYBXSA-N 2 2 400.523 0.783 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673583509 1081316813 /nfs/dbraw/zinc/31/68/13/1081316813.db2.gz WNVAQQZOBJJFFX-HSALFYBXSA-N 2 2 400.523 0.783 20 0 HCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673583510 1081321836 /nfs/dbraw/zinc/32/18/36/1081321836.db2.gz WNVAQQZOBJJFFX-VAMGGRTRSA-N 2 2 400.523 0.783 20 0 HCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673583510 1081321832 /nfs/dbraw/zinc/32/18/32/1081321832.db2.gz WNVAQQZOBJJFFX-VAMGGRTRSA-N 2 2 400.523 0.783 20 0 HCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584372 1081321896 /nfs/dbraw/zinc/32/18/96/1081321896.db2.gz YTGSJFWOUHYEBZ-MSOLQXFVSA-N 2 2 410.559 0.050 20 0 HCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584372 1081321888 /nfs/dbraw/zinc/32/18/88/1081321888.db2.gz YTGSJFWOUHYEBZ-MSOLQXFVSA-N 2 2 410.559 0.050 20 0 HCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584373 1081322012 /nfs/dbraw/zinc/32/20/12/1081322012.db2.gz YTGSJFWOUHYEBZ-QZTJIDSGSA-N 2 2 410.559 0.050 20 0 HCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584373 1081322006 /nfs/dbraw/zinc/32/20/06/1081322006.db2.gz YTGSJFWOUHYEBZ-QZTJIDSGSA-N 2 2 410.559 0.050 20 0 HCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584374 1081321993 /nfs/dbraw/zinc/32/19/93/1081321993.db2.gz YTGSJFWOUHYEBZ-ROUUACIJSA-N 2 2 410.559 0.050 20 0 HCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584374 1081321988 /nfs/dbraw/zinc/32/19/88/1081321988.db2.gz YTGSJFWOUHYEBZ-ROUUACIJSA-N 2 2 410.559 0.050 20 0 HCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584375 1081321916 /nfs/dbraw/zinc/32/19/16/1081321916.db2.gz YTGSJFWOUHYEBZ-ZWKOTPCHSA-N 2 2 410.559 0.050 20 0 HCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673584375 1081321911 /nfs/dbraw/zinc/32/19/11/1081321911.db2.gz YTGSJFWOUHYEBZ-ZWKOTPCHSA-N 2 2 410.559 0.050 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584376 1081322349 /nfs/dbraw/zinc/32/23/49/1081322349.db2.gz YTKASBBJQCRMRY-KSZLIROESA-N 2 2 401.511 0.271 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584377 1081322497 /nfs/dbraw/zinc/32/24/97/1081322497.db2.gz YTKASBBJQCRMRY-KURKYZTESA-N 2 2 401.511 0.271 20 0 HCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584378 1081322338 /nfs/dbraw/zinc/32/23/38/1081322338.db2.gz YTKASBBJQCRMRY-KZNAEPCWSA-N 2 2 401.511 0.271 20 0 HCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584379 1081322425 /nfs/dbraw/zinc/32/24/25/1081322425.db2.gz YTKASBBJQCRMRY-RCCFBDPRSA-N 2 2 401.511 0.271 20 0 HCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673585204 1081319308 /nfs/dbraw/zinc/31/93/08/1081319308.db2.gz IAVLKUNKOLPZNK-MSOLQXFVSA-N 2 2 403.527 0.672 20 0 HCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673585205 1081319686 /nfs/dbraw/zinc/31/96/86/1081319686.db2.gz IAVLKUNKOLPZNK-QZTJIDSGSA-N 2 2 403.527 0.672 20 0 HCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673585206 1081319778 /nfs/dbraw/zinc/31/97/78/1081319778.db2.gz IAVLKUNKOLPZNK-ROUUACIJSA-N 2 2 403.527 0.672 20 0 HCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673585207 1081319341 /nfs/dbraw/zinc/31/93/41/1081319341.db2.gz IAVLKUNKOLPZNK-ZWKOTPCHSA-N 2 2 403.527 0.672 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673585423 1081324592 /nfs/dbraw/zinc/32/45/92/1081324592.db2.gz VYLJTLQLPKHNCT-AQNXPRMDSA-N 2 2 422.570 0.194 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673585424 1081324539 /nfs/dbraw/zinc/32/45/39/1081324539.db2.gz VYLJTLQLPKHNCT-VAMGGRTRSA-N 2 2 422.570 0.194 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673585425 1081324691 /nfs/dbraw/zinc/32/46/91/1081324691.db2.gz VYLJTLQLPKHNCT-XUVXKRRUSA-N 2 2 422.570 0.194 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673585426 1081324655 /nfs/dbraw/zinc/32/46/55/1081324655.db2.gz VYLJTLQLPKHNCT-ZCNNSNEGSA-N 2 2 422.570 0.194 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673586766 1081326782 /nfs/dbraw/zinc/32/67/82/1081326782.db2.gz SNYHPGLBMMCRJS-GUDVDZBRSA-N 2 2 403.527 0.931 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673586771 1081326847 /nfs/dbraw/zinc/32/68/47/1081326847.db2.gz SNYHPGLBMMCRJS-IPMKNSEASA-N 2 2 403.527 0.931 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673586772 1081326804 /nfs/dbraw/zinc/32/68/04/1081326804.db2.gz SNYHPGLBMMCRJS-OTWHNJEPSA-N 2 2 403.527 0.931 20 0 HCADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673586774 1081327240 /nfs/dbraw/zinc/32/72/40/1081327240.db2.gz SNYHPGLBMMCRJS-QRVBRYPASA-N 2 2 403.527 0.931 20 0 HCADLP CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000673604611 1081343245 /nfs/dbraw/zinc/34/32/45/1081343245.db2.gz CMWATBYEESFBJG-GOSISDBHSA-N 2 2 402.543 0.391 20 0 HCADLP CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000673604611 1081343239 /nfs/dbraw/zinc/34/32/39/1081343239.db2.gz CMWATBYEESFBJG-GOSISDBHSA-N 2 2 402.543 0.391 20 0 HCADLP CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000673604612 1081343151 /nfs/dbraw/zinc/34/31/51/1081343151.db2.gz CMWATBYEESFBJG-SFHVURJKSA-N 2 2 402.543 0.391 20 0 HCADLP CN(C)c1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000673604612 1081343145 /nfs/dbraw/zinc/34/31/45/1081343145.db2.gz CMWATBYEESFBJG-SFHVURJKSA-N 2 2 402.543 0.391 20 0 HCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)CC2 ZINC000673621876 1081371495 /nfs/dbraw/zinc/37/14/95/1081371495.db2.gz LOUFHYAKJVMHMH-SJORKVTESA-N 2 2 413.522 0.708 20 0 HCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)CC2 ZINC000673621876 1081371485 /nfs/dbraw/zinc/37/14/85/1081371485.db2.gz LOUFHYAKJVMHMH-SJORKVTESA-N 2 2 413.522 0.708 20 0 HCADLP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000673626253 1081376249 /nfs/dbraw/zinc/37/62/49/1081376249.db2.gz ISDJREVEWJZAAQ-INIZCTEOSA-N 2 2 401.511 0.471 20 0 HCADLP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000673626253 1081376242 /nfs/dbraw/zinc/37/62/42/1081376242.db2.gz ISDJREVEWJZAAQ-INIZCTEOSA-N 2 2 401.511 0.471 20 0 HCADLP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000673626254 1081376357 /nfs/dbraw/zinc/37/63/57/1081376357.db2.gz ISDJREVEWJZAAQ-MRXNPFEDSA-N 2 2 401.511 0.471 20 0 HCADLP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000673626254 1081376347 /nfs/dbraw/zinc/37/63/47/1081376347.db2.gz ISDJREVEWJZAAQ-MRXNPFEDSA-N 2 2 401.511 0.471 20 0 HCADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627865 1081376462 /nfs/dbraw/zinc/37/64/62/1081376462.db2.gz WBHGESZWLLCUCG-HKUYNNGSSA-N 2 2 410.584 0.994 20 0 HCADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627866 1081376319 /nfs/dbraw/zinc/37/63/19/1081376319.db2.gz WBHGESZWLLCUCG-IEBWSBKVSA-N 2 2 410.584 0.994 20 0 HCADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627867 1081376116 /nfs/dbraw/zinc/37/61/16/1081376116.db2.gz WBHGESZWLLCUCG-MJGOQNOKSA-N 2 2 410.584 0.994 20 0 HCADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627868 1081376447 /nfs/dbraw/zinc/37/64/47/1081376447.db2.gz WBHGESZWLLCUCG-PKOBYXMFSA-N 2 2 410.584 0.994 20 0 HCADLP CC(C)c1cc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000682916534 1080939824 /nfs/dbraw/zinc/93/98/24/1080939824.db2.gz INIOZLJJDMWBMV-MSOLQXFVSA-N 2 2 406.575 0.606 20 0 HCADLP CC(C)c1cc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000682916535 1080939710 /nfs/dbraw/zinc/93/97/10/1080939710.db2.gz INIOZLJJDMWBMV-QZTJIDSGSA-N 2 2 406.575 0.606 20 0 HCADLP CC(C)c1cc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000682916536 1080939804 /nfs/dbraw/zinc/93/98/04/1080939804.db2.gz INIOZLJJDMWBMV-ROUUACIJSA-N 2 2 406.575 0.606 20 0 HCADLP CC(C)c1cc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000682916537 1080939914 /nfs/dbraw/zinc/93/99/14/1080939914.db2.gz INIOZLJJDMWBMV-ZWKOTPCHSA-N 2 2 406.575 0.606 20 0 HCADLP C[NH+]1CCN(c2ncc(C[NH2+]CCNS(=O)(=O)Cc3ccccc3)cn2)CC1 ZINC000761960295 1077785314 /nfs/dbraw/zinc/78/53/14/1077785314.db2.gz RSLPORBPMDRCPD-UHFFFAOYSA-N 2 2 404.540 0.438 20 0 HCADLP CCC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000762239798 1077831750 /nfs/dbraw/zinc/83/17/50/1077831750.db2.gz BMDZYHMNKYRTGA-IBGZPJMESA-N 2 2 410.559 0.271 20 0 HCADLP CCC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000762239804 1077831755 /nfs/dbraw/zinc/83/17/55/1077831755.db2.gz BMDZYHMNKYRTGA-LJQANCHMSA-N 2 2 410.559 0.271 20 0 HCADLP C[C@H](NC(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N(C)C ZINC000762741298 1077893364 /nfs/dbraw/zinc/89/33/64/1077893364.db2.gz NZZGOTNZPFDERG-KRWDZBQOSA-N 2 2 418.542 0.286 20 0 HCADLP C[C@@H](NC(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N(C)C ZINC000762741333 1077893329 /nfs/dbraw/zinc/89/33/29/1077893329.db2.gz NZZGOTNZPFDERG-QGZVFWFLSA-N 2 2 418.542 0.286 20 0 HCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786017 1077897210 /nfs/dbraw/zinc/89/72/10/1077897210.db2.gz JRKQBRBVOLQXHD-BBRMVZONSA-N 2 2 405.542 0.129 20 0 HCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786017 1077897208 /nfs/dbraw/zinc/89/72/08/1077897208.db2.gz JRKQBRBVOLQXHD-BBRMVZONSA-N 2 2 405.542 0.129 20 0 HCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786021 1077897270 /nfs/dbraw/zinc/89/72/70/1077897270.db2.gz JRKQBRBVOLQXHD-CJNGLKHVSA-N 2 2 405.542 0.129 20 0 HCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786021 1077897269 /nfs/dbraw/zinc/89/72/69/1077897269.db2.gz JRKQBRBVOLQXHD-CJNGLKHVSA-N 2 2 405.542 0.129 20 0 HCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786024 1077897297 /nfs/dbraw/zinc/89/72/97/1077897297.db2.gz JRKQBRBVOLQXHD-CZUORRHYSA-N 2 2 405.542 0.129 20 0 HCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786024 1077897294 /nfs/dbraw/zinc/89/72/94/1077897294.db2.gz JRKQBRBVOLQXHD-CZUORRHYSA-N 2 2 405.542 0.129 20 0 HCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786027 1077897308 /nfs/dbraw/zinc/89/73/08/1077897308.db2.gz JRKQBRBVOLQXHD-XJKSGUPXSA-N 2 2 405.542 0.129 20 0 HCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786027 1077897307 /nfs/dbraw/zinc/89/73/07/1077897307.db2.gz JRKQBRBVOLQXHD-XJKSGUPXSA-N 2 2 405.542 0.129 20 0 HCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000763473395 1078719571 /nfs/dbraw/zinc/71/95/71/1078719571.db2.gz RGKCGZXUUROMMG-CVEARBPZSA-N 2 2 411.547 0.064 20 0 HCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000763473395 1078719563 /nfs/dbraw/zinc/71/95/63/1078719563.db2.gz RGKCGZXUUROMMG-CVEARBPZSA-N 2 2 411.547 0.064 20 0 HCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000763473396 1078719684 /nfs/dbraw/zinc/71/96/84/1078719684.db2.gz RGKCGZXUUROMMG-HOTGVXAUSA-N 2 2 411.547 0.064 20 0 HCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000763473396 1078719676 /nfs/dbraw/zinc/71/96/76/1078719676.db2.gz RGKCGZXUUROMMG-HOTGVXAUSA-N 2 2 411.547 0.064 20 0 HCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000763473397 1078719866 /nfs/dbraw/zinc/71/98/66/1078719866.db2.gz RGKCGZXUUROMMG-HZPDHXFCSA-N 2 2 411.547 0.064 20 0 HCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000763473397 1078719859 /nfs/dbraw/zinc/71/98/59/1078719859.db2.gz RGKCGZXUUROMMG-HZPDHXFCSA-N 2 2 411.547 0.064 20 0 HCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000763473398 1078719633 /nfs/dbraw/zinc/71/96/33/1078719633.db2.gz RGKCGZXUUROMMG-JKSUJKDBSA-N 2 2 411.547 0.064 20 0 HCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000763473398 1078719625 /nfs/dbraw/zinc/71/96/25/1078719625.db2.gz RGKCGZXUUROMMG-JKSUJKDBSA-N 2 2 411.547 0.064 20 0 HCADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000763916992 1079217054 /nfs/dbraw/zinc/21/70/54/1079217054.db2.gz WAGWLXJMUWOCJB-CRAIPNDOSA-N 2 2 402.543 0.879 20 0 HCADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000763916994 1079217111 /nfs/dbraw/zinc/21/71/11/1079217111.db2.gz WAGWLXJMUWOCJB-MAUKXSAKSA-N 2 2 402.543 0.879 20 0 HCADLP Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000763916996 1079217097 /nfs/dbraw/zinc/21/70/97/1079217097.db2.gz WAGWLXJMUWOCJB-QAPCUYQASA-N 2 2 402.543 0.879 20 0 HCADLP Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000763916998 1079217038 /nfs/dbraw/zinc/21/70/38/1079217038.db2.gz WAGWLXJMUWOCJB-YJBOKZPZSA-N 2 2 402.543 0.879 20 0 HCADLP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](CC[S@@](C)=O)CC2)CC1 ZINC000764156878 1079312630 /nfs/dbraw/zinc/31/26/30/1079312630.db2.gz HBOHDMWPHYJLLA-MUUNZHRXSA-N 2 2 402.568 0.882 20 0 HCADLP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](CC[S@](C)=O)CC2)CC1 ZINC000764156881 1079312687 /nfs/dbraw/zinc/31/26/87/1079312687.db2.gz HBOHDMWPHYJLLA-NDEPHWFRSA-N 2 2 402.568 0.882 20 0 HCADLP C[C@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCO1 ZINC000764415887 1079339275 /nfs/dbraw/zinc/33/92/75/1079339275.db2.gz DIEFVOUVBGTCPQ-INIZCTEOSA-N 2 2 404.577 0.296 20 0 HCADLP C[C@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCO1 ZINC000764415887 1079339270 /nfs/dbraw/zinc/33/92/70/1079339270.db2.gz DIEFVOUVBGTCPQ-INIZCTEOSA-N 2 2 404.577 0.296 20 0 HCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCO1 ZINC000764415890 1079339136 /nfs/dbraw/zinc/33/91/36/1079339136.db2.gz DIEFVOUVBGTCPQ-MRXNPFEDSA-N 2 2 404.577 0.296 20 0 HCADLP C[C@@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCO1 ZINC000764415890 1079339129 /nfs/dbraw/zinc/33/91/29/1079339129.db2.gz DIEFVOUVBGTCPQ-MRXNPFEDSA-N 2 2 404.577 0.296 20 0 HCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000764465865 1079347624 /nfs/dbraw/zinc/34/76/24/1079347624.db2.gz IUIGUJANBMKFIN-CEXWTWQISA-N 2 2 409.575 0.633 20 0 HCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000764465865 1079347619 /nfs/dbraw/zinc/34/76/19/1079347619.db2.gz IUIGUJANBMKFIN-CEXWTWQISA-N 2 2 409.575 0.633 20 0 HCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000764465868 1079347561 /nfs/dbraw/zinc/34/75/61/1079347561.db2.gz IUIGUJANBMKFIN-FHWLQOOXSA-N 2 2 409.575 0.633 20 0 HCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000764465868 1079347556 /nfs/dbraw/zinc/34/75/56/1079347556.db2.gz IUIGUJANBMKFIN-FHWLQOOXSA-N 2 2 409.575 0.633 20 0 HCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000764465871 1079347592 /nfs/dbraw/zinc/34/75/92/1079347592.db2.gz IUIGUJANBMKFIN-GBESFXJTSA-N 2 2 409.575 0.633 20 0 HCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000764465871 1079347585 /nfs/dbraw/zinc/34/75/85/1079347585.db2.gz IUIGUJANBMKFIN-GBESFXJTSA-N 2 2 409.575 0.633 20 0 HCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000764465875 1079347538 /nfs/dbraw/zinc/34/75/38/1079347538.db2.gz IUIGUJANBMKFIN-QYZOEREBSA-N 2 2 409.575 0.633 20 0 HCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000764465875 1079347530 /nfs/dbraw/zinc/34/75/30/1079347530.db2.gz IUIGUJANBMKFIN-QYZOEREBSA-N 2 2 409.575 0.633 20 0 HCADLP COc1cccc([C@H](O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000765000334 1079385984 /nfs/dbraw/zinc/38/59/84/1079385984.db2.gz UOCNCSFAUYHFQM-NRFANRHFSA-N 2 2 418.538 0.425 20 0 HCADLP COc1cccc([C@@H](O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000765000336 1079385941 /nfs/dbraw/zinc/38/59/41/1079385941.db2.gz UOCNCSFAUYHFQM-OAQYLSRUSA-N 2 2 418.538 0.425 20 0 HCADLP O=C(CC[NH+]1CCOCC1)NCc1ccc(CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000765228923 1079402226 /nfs/dbraw/zinc/40/22/26/1079402226.db2.gz RDCIAAUDDHVMDK-UHFFFAOYSA-N 2 2 418.538 0.364 20 0 HCADLP O=C(CC[NH+]1CCOCC1)NCc1cccc(CNC(=O)CC[NH+]2CCOCC2)c1 ZINC000765236983 1079401606 /nfs/dbraw/zinc/40/16/06/1079401606.db2.gz SZTHRNLAUBYRET-UHFFFAOYSA-N 2 2 418.538 0.364 20 0 HCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765291719 1079412888 /nfs/dbraw/zinc/41/28/88/1079412888.db2.gz RUPCGHQAJFVVRU-PBHICJAKSA-N 2 2 419.569 0.520 20 0 HCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765291721 1079412918 /nfs/dbraw/zinc/41/29/18/1079412918.db2.gz RUPCGHQAJFVVRU-RHSMWYFYSA-N 2 2 419.569 0.520 20 0 HCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765291722 1079412745 /nfs/dbraw/zinc/41/27/45/1079412745.db2.gz RUPCGHQAJFVVRU-WMLDXEAASA-N 2 2 419.569 0.520 20 0 HCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765291725 1079412620 /nfs/dbraw/zinc/41/26/20/1079412620.db2.gz RUPCGHQAJFVVRU-YOEHRIQHSA-N 2 2 419.569 0.520 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765337415 1079419899 /nfs/dbraw/zinc/41/98/99/1079419899.db2.gz PKGGLKOLZLCUKN-MSOLQXFVSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765337415 1079419895 /nfs/dbraw/zinc/41/98/95/1079419895.db2.gz PKGGLKOLZLCUKN-MSOLQXFVSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765337418 1079419976 /nfs/dbraw/zinc/41/99/76/1079419976.db2.gz PKGGLKOLZLCUKN-QZTJIDSGSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765337418 1079419972 /nfs/dbraw/zinc/41/99/72/1079419972.db2.gz PKGGLKOLZLCUKN-QZTJIDSGSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765337420 1079419951 /nfs/dbraw/zinc/41/99/51/1079419951.db2.gz PKGGLKOLZLCUKN-ROUUACIJSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765337420 1079419948 /nfs/dbraw/zinc/41/99/48/1079419948.db2.gz PKGGLKOLZLCUKN-ROUUACIJSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765337423 1079419852 /nfs/dbraw/zinc/41/98/52/1079419852.db2.gz PKGGLKOLZLCUKN-ZWKOTPCHSA-N 2 2 401.511 0.490 20 0 HCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765337423 1079419846 /nfs/dbraw/zinc/41/98/46/1079419846.db2.gz PKGGLKOLZLCUKN-ZWKOTPCHSA-N 2 2 401.511 0.490 20 0 HCADLP Cc1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c(N(C)C)[nH+]1 ZINC000765364884 1079421820 /nfs/dbraw/zinc/42/18/20/1079421820.db2.gz GRRDJVYAHRUREC-INIZCTEOSA-N 2 2 415.498 0.686 20 0 HCADLP Cc1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c(N(C)C)[nH+]1 ZINC000765364886 1079421768 /nfs/dbraw/zinc/42/17/68/1079421768.db2.gz GRRDJVYAHRUREC-MRXNPFEDSA-N 2 2 415.498 0.686 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2ccc(N(C)C(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000765456178 1079439318 /nfs/dbraw/zinc/43/93/18/1079439318.db2.gz CKEUPVZEOPVCGS-PMACEKPBSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2ccc(N(C)C(=O)[C@@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000765456178 1079439306 /nfs/dbraw/zinc/43/93/06/1079439306.db2.gz CKEUPVZEOPVCGS-PMACEKPBSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N(C)c2ccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000765456178 1079439294 /nfs/dbraw/zinc/43/92/94/1079439294.db2.gz CKEUPVZEOPVCGS-PMACEKPBSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N(C)c2ccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000765456178 1079439287 /nfs/dbraw/zinc/43/92/87/1079439287.db2.gz CKEUPVZEOPVCGS-PMACEKPBSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2ccc(N(C)C(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000765456179 1079439547 /nfs/dbraw/zinc/43/95/47/1079439547.db2.gz CKEUPVZEOPVCGS-UXHICEINSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2ccc(N(C)C(=O)[C@@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000765456179 1079439541 /nfs/dbraw/zinc/43/95/41/1079439541.db2.gz CKEUPVZEOPVCGS-UXHICEINSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N(C)c2ccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000765456179 1079439535 /nfs/dbraw/zinc/43/95/35/1079439535.db2.gz CKEUPVZEOPVCGS-UXHICEINSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)N(C)c2ccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000765456179 1079439529 /nfs/dbraw/zinc/43/95/29/1079439529.db2.gz CKEUPVZEOPVCGS-UXHICEINSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2ccc(N(C)C(=O)[C@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000765456180 1079439486 /nfs/dbraw/zinc/43/94/86/1079439486.db2.gz CKEUPVZEOPVCGS-VQTJNVASSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@H](C(=O)NCc2ccc(N(C)C(=O)[C@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000765456180 1079439472 /nfs/dbraw/zinc/43/94/72/1079439472.db2.gz CKEUPVZEOPVCGS-VQTJNVASSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)c2ccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000765456180 1079439463 /nfs/dbraw/zinc/43/94/63/1079439463.db2.gz CKEUPVZEOPVCGS-VQTJNVASSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)c2ccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000765456180 1079439457 /nfs/dbraw/zinc/43/94/57/1079439457.db2.gz CKEUPVZEOPVCGS-VQTJNVASSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2ccc(N(C)C(=O)[C@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000765456181 1079439159 /nfs/dbraw/zinc/43/91/59/1079439159.db2.gz CKEUPVZEOPVCGS-WOJBJXKFSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)NCc2ccc(N(C)C(=O)[C@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000765456181 1079439147 /nfs/dbraw/zinc/43/91/47/1079439147.db2.gz CKEUPVZEOPVCGS-WOJBJXKFSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)c2ccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)cc2)C1 ZINC000765456181 1079439132 /nfs/dbraw/zinc/43/91/32/1079439132.db2.gz CKEUPVZEOPVCGS-WOJBJXKFSA-N 2 2 418.538 0.707 20 0 HCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)c2ccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)cc2)C1 ZINC000765456181 1079439122 /nfs/dbraw/zinc/43/91/22/1079439122.db2.gz CKEUPVZEOPVCGS-WOJBJXKFSA-N 2 2 418.538 0.707 20 0 HCADLP CN(C(=O)CC[NH+]1CCOCC1)c1ccc(CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000765481589 1079446392 /nfs/dbraw/zinc/44/63/92/1079446392.db2.gz PJBZWZBTPSNVOT-UHFFFAOYSA-N 2 2 418.538 0.710 20 0 HCADLP COC(=O)c1cc(C(=O)OC)n(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000765699101 1079555427 /nfs/dbraw/zinc/55/54/27/1079555427.db2.gz QGZIASFQMDLMND-XYPWUTKMSA-N 2 2 405.499 0.657 20 0 HCADLP COC(=O)c1cc(C(=O)OC)n(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000765699101 1079555402 /nfs/dbraw/zinc/55/54/02/1079555402.db2.gz QGZIASFQMDLMND-XYPWUTKMSA-N 2 2 405.499 0.657 20 0 HCADLP CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000765752210 1079587097 /nfs/dbraw/zinc/58/70/97/1079587097.db2.gz PFSWEEMCESTVHY-KRWDZBQOSA-N 2 2 415.604 0.986 20 0 HCADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCN3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000765758852 1079777717 /nfs/dbraw/zinc/77/77/17/1079777717.db2.gz MAINCSREBJOTFC-UHFFFAOYSA-N 2 2 409.600 0.888 20 0 HCADLP CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000765800311 1080035530 /nfs/dbraw/zinc/03/55/30/1080035530.db2.gz ZFROCXISPICECQ-HOCLYGCPSA-N 2 2 401.577 0.596 20 0 HCADLP CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000765800311 1080035518 /nfs/dbraw/zinc/03/55/18/1080035518.db2.gz ZFROCXISPICECQ-HOCLYGCPSA-N 2 2 401.577 0.596 20 0 HCADLP CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000765800312 1080035675 /nfs/dbraw/zinc/03/56/75/1080035675.db2.gz ZFROCXISPICECQ-ZBFHGGJFSA-N 2 2 401.577 0.596 20 0 HCADLP CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000765800312 1080035664 /nfs/dbraw/zinc/03/56/64/1080035664.db2.gz ZFROCXISPICECQ-ZBFHGGJFSA-N 2 2 401.577 0.596 20 0 HCADLP CN(C(=O)C(=O)Nc1ccc(-n2nccn2)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000784424101 1077466669 /nfs/dbraw/zinc/46/66/69/1077466669.db2.gz YJQUVFMXYJCNHK-KRWDZBQOSA-N 2 2 412.498 0.228 20 0 HCADLP CN(C(=O)C(=O)Nc1ccc(-n2nccn2)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000784424101 1077466650 /nfs/dbraw/zinc/46/66/50/1077466650.db2.gz YJQUVFMXYJCNHK-KRWDZBQOSA-N 2 2 412.498 0.228 20 0 HCADLP CN(C(=O)C(=O)Nc1ccc(-n2nccn2)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000784424102 1077469547 /nfs/dbraw/zinc/46/95/47/1077469547.db2.gz YJQUVFMXYJCNHK-QGZVFWFLSA-N 2 2 412.498 0.228 20 0 HCADLP CN(C(=O)C(=O)Nc1ccc(-n2nccn2)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000784424102 1077469542 /nfs/dbraw/zinc/46/95/42/1077469542.db2.gz YJQUVFMXYJCNHK-QGZVFWFLSA-N 2 2 412.498 0.228 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785445840 1080107789 /nfs/dbraw/zinc/10/77/89/1080107789.db2.gz ZJOABQSMBLZMJZ-PMACEKPBSA-N 2 2 416.522 0.114 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785445840 1080107767 /nfs/dbraw/zinc/10/77/67/1080107767.db2.gz ZJOABQSMBLZMJZ-PMACEKPBSA-N 2 2 416.522 0.114 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785445842 1080107090 /nfs/dbraw/zinc/10/70/90/1080107090.db2.gz ZJOABQSMBLZMJZ-UXHICEINSA-N 2 2 416.522 0.114 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785445842 1080107062 /nfs/dbraw/zinc/10/70/62/1080107062.db2.gz ZJOABQSMBLZMJZ-UXHICEINSA-N 2 2 416.522 0.114 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785445844 1080107517 /nfs/dbraw/zinc/10/75/17/1080107517.db2.gz ZJOABQSMBLZMJZ-VQTJNVASSA-N 2 2 416.522 0.114 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785445844 1080107482 /nfs/dbraw/zinc/10/74/82/1080107482.db2.gz ZJOABQSMBLZMJZ-VQTJNVASSA-N 2 2 416.522 0.114 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785445846 1080107401 /nfs/dbraw/zinc/10/74/01/1080107401.db2.gz ZJOABQSMBLZMJZ-WOJBJXKFSA-N 2 2 416.522 0.114 20 0 HCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785445846 1080107383 /nfs/dbraw/zinc/10/73/83/1080107383.db2.gz ZJOABQSMBLZMJZ-WOJBJXKFSA-N 2 2 416.522 0.114 20 0 HCADLP CCn1c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000785453725 1080396041 /nfs/dbraw/zinc/39/60/41/1080396041.db2.gz KXHQONYCVDLBDP-INIZCTEOSA-N 2 2 412.538 0.957 20 0 HCADLP CCn1c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000785453725 1080396035 /nfs/dbraw/zinc/39/60/35/1080396035.db2.gz KXHQONYCVDLBDP-INIZCTEOSA-N 2 2 412.538 0.957 20 0 HCADLP CCn1c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000785453726 1080395927 /nfs/dbraw/zinc/39/59/27/1080395927.db2.gz KXHQONYCVDLBDP-MRXNPFEDSA-N 2 2 412.538 0.957 20 0 HCADLP CCn1c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000785453726 1080395914 /nfs/dbraw/zinc/39/59/14/1080395914.db2.gz KXHQONYCVDLBDP-MRXNPFEDSA-N 2 2 412.538 0.957 20 0 HCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(NC(=O)COC)CC3)cc2)CC1 ZINC000915680535 1077954868 /nfs/dbraw/zinc/95/48/68/1077954868.db2.gz WGMSBFCBKAVQPN-UHFFFAOYSA-N 2 2 417.554 0.994 20 0 HCADLP CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000915740434 1077966520 /nfs/dbraw/zinc/96/65/20/1077966520.db2.gz SWJPSKHPVKYZKD-UHFFFAOYSA-N 2 2 402.543 0.131 20 0 HCADLP C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000915740434 1077966510 /nfs/dbraw/zinc/96/65/10/1077966510.db2.gz SWJPSKHPVKYZKD-UHFFFAOYSA-N 2 2 402.543 0.131 20 0 HCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000915756118 1077969017 /nfs/dbraw/zinc/96/90/17/1077969017.db2.gz XLZXOJQGYDTBHO-FQEVSTJZSA-N 2 2 417.554 0.850 20 0 HCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000915756119 1077969134 /nfs/dbraw/zinc/96/91/34/1077969134.db2.gz XLZXOJQGYDTBHO-HXUWFJFHSA-N 2 2 417.554 0.850 20 0 HCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000915758913 1077970060 /nfs/dbraw/zinc/97/00/60/1077970060.db2.gz IBKRPUUWGNKRSY-UHFFFAOYSA-N 2 2 416.570 0.519 20 0 HCADLP CC[NH+]1CCN(c2ccc(CNC(=S)NCCC[NH+]3CCOCC3)cn2)CC1 ZINC000916014788 1078056304 /nfs/dbraw/zinc/05/63/04/1078056304.db2.gz MBGHXOJMSNQGJA-UHFFFAOYSA-N 2 2 406.600 0.910 20 0 HCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1 ZINC000916980178 1078182473 /nfs/dbraw/zinc/18/24/73/1078182473.db2.gz BZRQBDPISQOOSX-GOSISDBHSA-N 2 2 410.559 0.664 20 0 HCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1 ZINC000916980178 1078182452 /nfs/dbraw/zinc/18/24/52/1078182452.db2.gz BZRQBDPISQOOSX-GOSISDBHSA-N 2 2 410.559 0.664 20 0 HCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000916980178 1078182433 /nfs/dbraw/zinc/18/24/33/1078182433.db2.gz BZRQBDPISQOOSX-GOSISDBHSA-N 2 2 410.559 0.664 20 0 HCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000916980178 1078182420 /nfs/dbraw/zinc/18/24/20/1078182420.db2.gz BZRQBDPISQOOSX-GOSISDBHSA-N 2 2 410.559 0.664 20 0 HCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000917199178 1078244270 /nfs/dbraw/zinc/24/42/70/1078244270.db2.gz VCECTCNRCVGAIH-ACOFZUGVSA-N 2 2 404.536 0.283 20 0 HCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000917199178 1078244254 /nfs/dbraw/zinc/24/42/54/1078244254.db2.gz VCECTCNRCVGAIH-ACOFZUGVSA-N 2 2 404.536 0.283 20 0 HCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000917199179 1078244478 /nfs/dbraw/zinc/24/44/78/1078244478.db2.gz VCECTCNRCVGAIH-HWCZVSPCSA-N 2 2 404.536 0.283 20 0 HCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000917199180 1078244357 /nfs/dbraw/zinc/24/43/57/1078244357.db2.gz VCECTCNRCVGAIH-KRVVSLAESA-N 2 2 404.536 0.283 20 0 HCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000917199180 1078244346 /nfs/dbraw/zinc/24/43/46/1078244346.db2.gz VCECTCNRCVGAIH-KRVVSLAESA-N 2 2 404.536 0.283 20 0 HCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000917199181 1078244216 /nfs/dbraw/zinc/24/42/16/1078244216.db2.gz VCECTCNRCVGAIH-NXIDYTHLSA-N 2 2 404.536 0.283 20 0 HCADLP C[C@H]1CCCN(C(=O)C2CC[NH+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)C1 ZINC000917436886 1078286173 /nfs/dbraw/zinc/28/61/73/1078286173.db2.gz DZXVERSKUSIMST-INIZCTEOSA-N 2 2 405.543 0.931 20 0 HCADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)C1 ZINC000917436887 1078286129 /nfs/dbraw/zinc/28/61/29/1078286129.db2.gz DZXVERSKUSIMST-MRXNPFEDSA-N 2 2 405.543 0.931 20 0 HCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cn1 ZINC000918243257 1078375475 /nfs/dbraw/zinc/37/54/75/1078375475.db2.gz KTTRFIZEHUPVJO-KRWDZBQOSA-N 2 2 400.483 0.987 20 0 HCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cn1 ZINC000918243257 1078375469 /nfs/dbraw/zinc/37/54/69/1078375469.db2.gz KTTRFIZEHUPVJO-KRWDZBQOSA-N 2 2 400.483 0.987 20 0 HCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cn1 ZINC000918243259 1078375430 /nfs/dbraw/zinc/37/54/30/1078375430.db2.gz KTTRFIZEHUPVJO-QGZVFWFLSA-N 2 2 400.483 0.987 20 0 HCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cn1 ZINC000918243259 1078375424 /nfs/dbraw/zinc/37/54/24/1078375424.db2.gz KTTRFIZEHUPVJO-QGZVFWFLSA-N 2 2 400.483 0.987 20 0 HCADLP CON(C)S(=O)(=O)c1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000918699198 1078545155 /nfs/dbraw/zinc/54/51/55/1078545155.db2.gz BTNHIOLFIFASCM-UHFFFAOYSA-N 2 2 412.556 0.967 20 0 HCADLP CON(C)S(=O)(=O)c1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000918699198 1078545147 /nfs/dbraw/zinc/54/51/47/1078545147.db2.gz BTNHIOLFIFASCM-UHFFFAOYSA-N 2 2 412.556 0.967 20 0 HCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000918700001 1078545910 /nfs/dbraw/zinc/54/59/10/1078545910.db2.gz SXGZEESATCCSOY-JOCHJYFZSA-N 2 2 415.538 0.938 20 0 HCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000918700001 1078545906 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/nfs/dbraw/zinc/26/80/21/719268021.db2.gz BVQZPGQUTLGGCB-UHFFFAOYSA-N 2 2 408.934 0.535 20 0 HCADLP COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)C1=O ZINC001164634755 719270211 /nfs/dbraw/zinc/27/02/11/719270211.db2.gz OAEILTIHAAZJNU-UHFFFAOYSA-N 2 2 408.934 0.535 20 0 HCADLP COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)C1=O ZINC001164634755 719270207 /nfs/dbraw/zinc/27/02/07/719270207.db2.gz OAEILTIHAAZJNU-UHFFFAOYSA-N 2 2 408.934 0.535 20 0 HCADLP COCCN1CC[N@@H+](C)C2(CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)C1=O ZINC001164642177 719278394 /nfs/dbraw/zinc/27/83/94/719278394.db2.gz XXKOTAOTVAMXGA-UHFFFAOYSA-N 2 2 403.527 0.678 20 0 HCADLP COCCN1CC[N@H+](C)C2(CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)C1=O ZINC001164642177 719278391 /nfs/dbraw/zinc/27/83/91/719278391.db2.gz XXKOTAOTVAMXGA-UHFFFAOYSA-N 2 2 403.527 0.678 20 0 HCADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)C1=O ZINC001164642192 719277995 /nfs/dbraw/zinc/27/79/95/719277995.db2.gz YIRFCJKMHBYVGT-UHFFFAOYSA-N 2 2 402.543 0.251 20 0 HCADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)C1=O ZINC001164642192 719277994 /nfs/dbraw/zinc/27/79/94/719277994.db2.gz YIRFCJKMHBYVGT-UHFFFAOYSA-N 2 2 402.543 0.251 20 0 HCADLP COCCN1CC[N@@H+](C)C2(CCN(c3nccc(C4CC[NH2+]CC4)n3)CC2)C1=O ZINC001164642208 719278014 /nfs/dbraw/zinc/27/80/14/719278014.db2.gz YPOGNMOQCWKWLS-UHFFFAOYSA-N 2 2 402.543 0.703 20 0 HCADLP COCCN1CC[N@H+](C)C2(CCN(c3nccc(C4CC[NH2+]CC4)n3)CC2)C1=O ZINC001164642208 719278012 /nfs/dbraw/zinc/27/80/12/719278012.db2.gz YPOGNMOQCWKWLS-UHFFFAOYSA-N 2 2 402.543 0.703 20 0 HCADLP COCCN1CC[N@@H+](C)C2(CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)C1=O ZINC001164642367 719278937 /nfs/dbraw/zinc/27/89/37/719278937.db2.gz ZYJKBKBQTOUCNM-UHFFFAOYSA-N 3 2 416.570 0.769 20 0 HCADLP COCCN1CC[N@H+](C)C2(CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)C1=O ZINC001164642367 719278935 /nfs/dbraw/zinc/27/89/35/719278935.db2.gz ZYJKBKBQTOUCNM-UHFFFAOYSA-N 3 2 416.570 0.769 20 0 HCADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164644244 719280965 /nfs/dbraw/zinc/28/09/65/719280965.db2.gz FJEXBYYVPBETOI-UHFFFAOYSA-N 2 2 418.542 0.367 20 0 HCADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164644244 719280963 /nfs/dbraw/zinc/28/09/63/719280963.db2.gz FJEXBYYVPBETOI-UHFFFAOYSA-N 2 2 418.542 0.367 20 0 HCADLP CN(C)C(=O)COCc1noc2c1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164659439 719341511 /nfs/dbraw/zinc/34/15/11/719341511.db2.gz DBFVNXDQQURWKQ-UHFFFAOYSA-N 2 2 414.510 0.989 20 0 HCADLP CNC(=O)CO[C@@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164677213 719552979 /nfs/dbraw/zinc/55/29/79/719552979.db2.gz LUMSIOQGLOPJPR-KRWDZBQOSA-N 2 2 403.527 0.724 20 0 HCADLP CNC(=O)CO[C@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164677215 719552464 /nfs/dbraw/zinc/55/24/64/719552464.db2.gz LUMSIOQGLOPJPR-QGZVFWFLSA-N 2 2 403.527 0.724 20 0 HCADLP CC(C)N(C)Cc1nn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c2c1CC[NH2+]C2 ZINC001164680563 719635764 /nfs/dbraw/zinc/63/57/64/719635764.db2.gz WEDRTNKUDZEXKP-UHFFFAOYSA-N 2 2 412.542 0.588 20 0 HCADLP CC(C)[N@@H+](C)Cc1nn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c2c1CC[NH2+]C2 ZINC001164680563 719635760 /nfs/dbraw/zinc/63/57/60/719635760.db2.gz WEDRTNKUDZEXKP-UHFFFAOYSA-N 3 2 412.542 0.588 20 0 HCADLP CC(C)[N@H+](C)Cc1nn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c2c1CC[NH2+]C2 ZINC001164680563 719635754 /nfs/dbraw/zinc/63/57/54/719635754.db2.gz WEDRTNKUDZEXKP-UHFFFAOYSA-N 3 2 412.542 0.588 20 0 HCADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(N3CCOCC3)nc3c2CCN3)c2c1CC[NH2+]C2 ZINC001164684293 719614579 /nfs/dbraw/zinc/61/45/79/719614579.db2.gz OGTHENWNYMSRLE-UHFFFAOYSA-N 2 2 412.542 0.953 20 0 HCADLP CC(C)[N@H+](C)Cc1nn(-c2nc(N3CCOCC3)nc3c2CCN3)c2c1CC[NH2+]C2 ZINC001164684293 719614572 /nfs/dbraw/zinc/61/45/72/719614572.db2.gz OGTHENWNYMSRLE-UHFFFAOYSA-N 2 2 412.542 0.953 20 0 HCADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(N3CCOCC3)[nH+]c3c2CCN3)c2c1CC[NH2+]C2 ZINC001164684293 719614569 /nfs/dbraw/zinc/61/45/69/719614569.db2.gz OGTHENWNYMSRLE-UHFFFAOYSA-N 3 2 412.542 0.953 20 0 HCADLP CC(C)[N@H+](C)Cc1nn(-c2nc(N3CCOCC3)[nH+]c3c2CCN3)c2c1CC[NH2+]C2 ZINC001164684293 719614564 /nfs/dbraw/zinc/61/45/64/719614564.db2.gz OGTHENWNYMSRLE-UHFFFAOYSA-N 3 2 412.542 0.953 20 0 HCADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001164694969 719828812 /nfs/dbraw/zinc/82/88/12/719828812.db2.gz ABKCBKBWBJEQLQ-KRWDZBQOSA-N 2 2 413.526 0.429 20 0 HCADLP COCCNC(=O)[C@H]1Cn2nccc2CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001164694973 719828764 /nfs/dbraw/zinc/82/87/64/719828764.db2.gz ABKCBKBWBJEQLQ-QGZVFWFLSA-N 2 2 413.526 0.429 20 0 HCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164699962 719869719 /nfs/dbraw/zinc/86/97/19/719869719.db2.gz DBZGHQGXEZNWQN-HRAATJIYSA-N 2 2 419.526 0.840 20 0 HCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164699965 719869726 /nfs/dbraw/zinc/86/97/26/719869726.db2.gz DBZGHQGXEZNWQN-IERDGZPVSA-N 2 2 419.526 0.840 20 0 HCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164699968 719869708 /nfs/dbraw/zinc/86/97/08/719869708.db2.gz DBZGHQGXEZNWQN-IIBYNOLFSA-N 2 2 419.526 0.840 20 0 HCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001164699973 719870010 /nfs/dbraw/zinc/87/00/10/719870010.db2.gz DBZGHQGXEZNWQN-KKSFZXQISA-N 2 2 419.526 0.840 20 0 HCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164702102 719841623 /nfs/dbraw/zinc/84/16/23/719841623.db2.gz NTOKDIKGUWILMD-DYESRHJHSA-N 2 2 418.542 0.461 20 0 HCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164702103 719841275 /nfs/dbraw/zinc/84/12/75/719841275.db2.gz NTOKDIKGUWILMD-LAUBAEHRSA-N 2 2 418.542 0.461 20 0 HCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164702104 719841374 /nfs/dbraw/zinc/84/13/74/719841374.db2.gz NTOKDIKGUWILMD-UTKZUKDTSA-N 2 2 418.542 0.461 20 0 HCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164702105 719841525 /nfs/dbraw/zinc/84/15/25/719841525.db2.gz NTOKDIKGUWILMD-UWJYYQICSA-N 2 2 418.542 0.461 20 0 HCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@H]4C3)[nH+]2)CC1 ZINC001164703365 719883954 /nfs/dbraw/zinc/88/39/54/719883954.db2.gz RROJCDQHEBUZPA-FGTMMUONSA-N 2 2 423.521 0.961 20 0 HCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@@H]4C3)[nH+]2)CC1 ZINC001164703366 719883867 /nfs/dbraw/zinc/88/38/67/719883867.db2.gz RROJCDQHEBUZPA-KURKYZTESA-N 2 2 423.521 0.961 20 0 HCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@@H]4C3)[nH+]2)CC1 ZINC001164703367 719883701 /nfs/dbraw/zinc/88/37/01/719883701.db2.gz RROJCDQHEBUZPA-KZNAEPCWSA-N 2 2 423.521 0.961 20 0 HCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@H]4C3)[nH+]2)CC1 ZINC001164703368 719883907 /nfs/dbraw/zinc/88/39/07/719883907.db2.gz RROJCDQHEBUZPA-SQNIBIBYSA-N 2 2 423.521 0.961 20 0 HCADLP CCN(C)c1cc(C)[nH+]c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164705244 719928106 /nfs/dbraw/zinc/92/81/06/719928106.db2.gz XFUFASWJVVMYAF-UHFFFAOYSA-N 2 2 412.542 0.925 20 0 HCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001164705577 719856966 /nfs/dbraw/zinc/85/69/66/719856966.db2.gz UISQMTCJGLVNOH-JXFKEZNVSA-N 2 2 404.515 0.119 20 0 HCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001164705578 719856855 /nfs/dbraw/zinc/85/68/55/719856855.db2.gz UISQMTCJGLVNOH-OXJNMPFZSA-N 2 2 404.515 0.119 20 0 HCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001164705579 719857036 /nfs/dbraw/zinc/85/70/36/719857036.db2.gz UISQMTCJGLVNOH-OXQOHEQNSA-N 2 2 404.515 0.119 20 0 HCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001164705580 719856995 /nfs/dbraw/zinc/85/69/95/719856995.db2.gz UISQMTCJGLVNOH-UZLBHIALSA-N 2 2 404.515 0.119 20 0 HCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164706451 719874012 /nfs/dbraw/zinc/87/40/12/719874012.db2.gz PJMCDKLXFUBVRZ-DYESRHJHSA-N 2 2 418.542 0.461 20 0 HCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164706455 719874089 /nfs/dbraw/zinc/87/40/89/719874089.db2.gz PJMCDKLXFUBVRZ-LAUBAEHRSA-N 2 2 418.542 0.461 20 0 HCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164706459 719873878 /nfs/dbraw/zinc/87/38/78/719873878.db2.gz PJMCDKLXFUBVRZ-UTKZUKDTSA-N 2 2 418.542 0.461 20 0 HCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164706463 719874032 /nfs/dbraw/zinc/87/40/32/719874032.db2.gz PJMCDKLXFUBVRZ-UWJYYQICSA-N 2 2 418.542 0.461 20 0 HCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164706865 719863661 /nfs/dbraw/zinc/86/36/61/719863661.db2.gz ZFYHOBVXSWBFSH-DYESRHJHSA-N 2 2 403.527 0.724 20 0 HCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164706866 719863537 /nfs/dbraw/zinc/86/35/37/719863537.db2.gz ZFYHOBVXSWBFSH-LAUBAEHRSA-N 2 2 403.527 0.724 20 0 HCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164706867 719863299 /nfs/dbraw/zinc/86/32/99/719863299.db2.gz ZFYHOBVXSWBFSH-UTKZUKDTSA-N 2 2 403.527 0.724 20 0 HCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164706868 719863542 /nfs/dbraw/zinc/86/35/42/719863542.db2.gz ZFYHOBVXSWBFSH-UWJYYQICSA-N 2 2 403.527 0.724 20 0 HCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164706874 719861631 /nfs/dbraw/zinc/86/16/31/719861631.db2.gz ZLJJIJWUOIBSLF-DYESRHJHSA-N 2 2 418.542 0.637 20 0 HCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164706879 719861568 /nfs/dbraw/zinc/86/15/68/719861568.db2.gz ZLJJIJWUOIBSLF-LAUBAEHRSA-N 2 2 418.542 0.637 20 0 HCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164706881 719861708 /nfs/dbraw/zinc/86/17/08/719861708.db2.gz ZLJJIJWUOIBSLF-UTKZUKDTSA-N 2 2 418.542 0.637 20 0 HCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(N2CCC([NH3+])CC2)n1 ZINC001164706883 719861595 /nfs/dbraw/zinc/86/15/95/719861595.db2.gz ZLJJIJWUOIBSLF-UWJYYQICSA-N 2 2 418.542 0.637 20 0 HCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164708325 719931682 /nfs/dbraw/zinc/93/16/82/719931682.db2.gz JJJBESHJILCOEH-UHFFFAOYSA-N 2 2 406.494 0.951 20 0 HCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164708617 719917883 /nfs/dbraw/zinc/91/78/83/719917883.db2.gz NIDRKIPNPAEKQL-UHFFFAOYSA-N 2 2 424.553 0.175 20 0 HCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1[nH+][nH]c(Cl)c3ncnc1-3)CC2 ZINC001164709256 719914249 /nfs/dbraw/zinc/91/42/49/719914249.db2.gz RVAGSNMTVWJXNW-UHFFFAOYSA-N 2 2 415.889 0.690 20 0 HCADLP Cc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C1C[NH2+]C1 ZINC001164711524 720049224 /nfs/dbraw/zinc/04/92/24/720049224.db2.gz IHIUUCOOROVKPO-UHFFFAOYSA-N 2 2 410.526 0.156 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164716215 720212674 /nfs/dbraw/zinc/21/26/74/720212674.db2.gz AWOHNHMADIJSJH-IBGZPJMESA-N 2 2 408.934 0.441 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164716215 720212665 /nfs/dbraw/zinc/21/26/65/720212665.db2.gz AWOHNHMADIJSJH-IBGZPJMESA-N 2 2 408.934 0.441 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164716222 720213851 /nfs/dbraw/zinc/21/38/51/720213851.db2.gz AWOHNHMADIJSJH-LJQANCHMSA-N 2 2 408.934 0.441 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164716222 720213846 /nfs/dbraw/zinc/21/38/46/720213846.db2.gz AWOHNHMADIJSJH-LJQANCHMSA-N 2 2 408.934 0.441 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164718530 720223033 /nfs/dbraw/zinc/22/30/33/720223033.db2.gz MZMGUMYUVXVIMN-IBGZPJMESA-N 2 2 408.934 0.441 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164718530 720223020 /nfs/dbraw/zinc/22/30/20/720223020.db2.gz MZMGUMYUVXVIMN-IBGZPJMESA-N 2 2 408.934 0.441 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164718531 720223664 /nfs/dbraw/zinc/22/36/64/720223664.db2.gz MZMGUMYUVXVIMN-LJQANCHMSA-N 2 2 408.934 0.441 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164718531 720223655 /nfs/dbraw/zinc/22/36/55/720223655.db2.gz MZMGUMYUVXVIMN-LJQANCHMSA-N 2 2 408.934 0.441 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4CCOC)C2)C1 ZINC001164720235 720256252 /nfs/dbraw/zinc/25/62/52/720256252.db2.gz SUOABEXOYDESPN-NRFANRHFSA-N 2 2 416.526 0.743 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4CCOC)C2)C1 ZINC001164720235 720256234 /nfs/dbraw/zinc/25/62/34/720256234.db2.gz SUOABEXOYDESPN-NRFANRHFSA-N 2 2 416.526 0.743 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4CCOC)C2)C1 ZINC001164720237 720255920 /nfs/dbraw/zinc/25/59/20/720255920.db2.gz SUOABEXOYDESPN-OAQYLSRUSA-N 2 2 416.526 0.743 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4CCOC)C2)C1 ZINC001164720237 720255912 /nfs/dbraw/zinc/25/59/12/720255912.db2.gz SUOABEXOYDESPN-OAQYLSRUSA-N 2 2 416.526 0.743 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164720778 720270154 /nfs/dbraw/zinc/27/01/54/720270154.db2.gz DSEIFOFESNWOLL-NRFANRHFSA-N 2 2 402.543 0.608 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164720778 720270148 /nfs/dbraw/zinc/27/01/48/720270148.db2.gz DSEIFOFESNWOLL-NRFANRHFSA-N 2 2 402.543 0.608 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164720779 720269363 /nfs/dbraw/zinc/26/93/63/720269363.db2.gz DSEIFOFESNWOLL-OAQYLSRUSA-N 2 2 402.543 0.608 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164720779 720269357 /nfs/dbraw/zinc/26/93/57/720269357.db2.gz DSEIFOFESNWOLL-OAQYLSRUSA-N 2 2 402.543 0.608 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164721584 720275460 /nfs/dbraw/zinc/27/54/60/720275460.db2.gz LKLGFIOXQMYBGF-JOCHJYFZSA-N 3 2 416.570 0.674 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164721584 720275448 /nfs/dbraw/zinc/27/54/48/720275448.db2.gz LKLGFIOXQMYBGF-JOCHJYFZSA-N 3 2 416.570 0.674 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164721585 720274501 /nfs/dbraw/zinc/27/45/01/720274501.db2.gz LKLGFIOXQMYBGF-QFIPXVFZSA-N 3 2 416.570 0.674 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164721585 720274488 /nfs/dbraw/zinc/27/44/88/720274488.db2.gz LKLGFIOXQMYBGF-QFIPXVFZSA-N 3 2 416.570 0.674 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CCOCC4)[nH+]3)C2)C1 ZINC001164723877 720271842 /nfs/dbraw/zinc/27/18/42/720271842.db2.gz YPVNKIUODWGTFF-NRFANRHFSA-N 2 2 403.527 0.583 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CCOCC4)[nH+]3)C2)C1 ZINC001164723877 720271827 /nfs/dbraw/zinc/27/18/27/720271827.db2.gz YPVNKIUODWGTFF-NRFANRHFSA-N 2 2 403.527 0.583 20 0 HCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cccc(N4CCOCC4)[nH+]3)C2)C1 ZINC001164723884 720271676 /nfs/dbraw/zinc/27/16/76/720271676.db2.gz YPVNKIUODWGTFF-OAQYLSRUSA-N 2 2 403.527 0.583 20 0 HCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(N4CCOCC4)[nH+]3)C2)C1 ZINC001164723884 720271670 /nfs/dbraw/zinc/27/16/70/720271670.db2.gz YPVNKIUODWGTFF-OAQYLSRUSA-N 2 2 403.527 0.583 20 0 HCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCOCC3)nc[nH+]1)CC2 ZINC001164751564 720946887 /nfs/dbraw/zinc/94/68/87/720946887.db2.gz TWVWMUJSIKDJJU-UHFFFAOYSA-N 2 2 401.471 0.155 20 0 HCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164751564 720946884 /nfs/dbraw/zinc/94/68/84/720946884.db2.gz TWVWMUJSIKDJJU-UHFFFAOYSA-N 2 2 401.471 0.155 20 0 HCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164751634 720958138 /nfs/dbraw/zinc/95/81/38/720958138.db2.gz RGAMFQJFTBLRSP-UHFFFAOYSA-N 2 2 401.471 0.155 20 0 HCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164751763 720958661 /nfs/dbraw/zinc/95/86/61/720958661.db2.gz UAHUHKFQKDPSCC-UHFFFAOYSA-N 3 2 413.526 0.676 20 0 HCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164754312 720966268 /nfs/dbraw/zinc/96/62/68/720966268.db2.gz PLQWLUVORNUMJI-UHFFFAOYSA-N 2 2 417.539 0.872 20 0 HCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164754312 720966254 /nfs/dbraw/zinc/96/62/54/720966254.db2.gz PLQWLUVORNUMJI-UHFFFAOYSA-N 2 2 417.539 0.872 20 0 HCADLP CN(C)C(=O)NC[C@H]1OC[C@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001164756179 720995441 /nfs/dbraw/zinc/99/54/41/720995441.db2.gz GBANPWFFTBRHLD-FGTMMUONSA-N 2 2 402.543 0.946 20 0 HCADLP CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]12 ZINC001164756180 720995188 /nfs/dbraw/zinc/99/51/88/720995188.db2.gz GBANPWFFTBRHLD-KURKYZTESA-N 2 2 402.543 0.946 20 0 HCADLP CN(C)C(=O)NC[C@H]1OC[C@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001164756181 720995810 /nfs/dbraw/zinc/99/58/10/720995810.db2.gz GBANPWFFTBRHLD-KZNAEPCWSA-N 2 2 402.543 0.946 20 0 HCADLP CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]12 ZINC001164756182 720996174 /nfs/dbraw/zinc/99/61/74/720996174.db2.gz GBANPWFFTBRHLD-SQNIBIBYSA-N 2 2 402.543 0.946 20 0 HCADLP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164761846 721025095 /nfs/dbraw/zinc/02/50/95/721025095.db2.gz UWWZFUDHPKHUHH-KRWDZBQOSA-N 2 2 423.525 0.861 20 0 HCADLP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164761847 721025440 /nfs/dbraw/zinc/02/54/40/721025440.db2.gz UWWZFUDHPKHUHH-QGZVFWFLSA-N 2 2 423.525 0.861 20 0 HCADLP C(C1CC1)[N@H+]1CCC2(CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001164767959 721281749 /nfs/dbraw/zinc/28/17/49/721281749.db2.gz HTIJVEDCTUGXLR-UHFFFAOYSA-N 2 2 415.542 0.467 20 0 HCADLP C(C1CC1)[N@@H+]1CCC2(CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001164767959 721281744 /nfs/dbraw/zinc/28/17/44/721281744.db2.gz HTIJVEDCTUGXLR-UHFFFAOYSA-N 2 2 415.542 0.467 20 0 HCADLP C[NH+]1CCN(c2cccc(N3CCn4c(CNC(=O)c5ccno5)cnc4C3)[nH+]2)CC1 ZINC001164768343 721268879 /nfs/dbraw/zinc/26/88/79/721268879.db2.gz UFWIAPXQBHMEBE-UHFFFAOYSA-N 2 2 422.493 0.968 20 0 HCADLP c1csc(C[N@@H+]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@H]3C2)n1 ZINC001164782568 721422743 /nfs/dbraw/zinc/42/27/43/721422743.db2.gz GUWJMFNFXDAYPQ-GASCZTMLSA-N 2 2 413.551 0.941 20 0 HCADLP c1csc(C[N@H+]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@H]3C2)n1 ZINC001164782568 721422742 /nfs/dbraw/zinc/42/27/42/721422742.db2.gz GUWJMFNFXDAYPQ-GASCZTMLSA-N 2 2 413.551 0.941 20 0 HCADLP c1csc(C[NH+]2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@@H]3C2)n1 ZINC001164782573 721423146 /nfs/dbraw/zinc/42/31/46/721423146.db2.gz GUWJMFNFXDAYPQ-GJZGRUSLSA-N 2 2 413.551 0.941 20 0 HCADLP c1csc(C[NH+]2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@H]3C2)n1 ZINC001164782580 721423049 /nfs/dbraw/zinc/42/30/49/721423049.db2.gz GUWJMFNFXDAYPQ-HUUCEWRRSA-N 2 2 413.551 0.941 20 0 HCADLP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCn2cc(CN3CC[NH+](C)CC3)[nH+]c2C1 ZINC001164794558 721510163 /nfs/dbraw/zinc/51/01/63/721510163.db2.gz RYAVWXHAQLFITR-UHFFFAOYSA-N 2 2 410.482 0.660 20 0 HCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)CC1 ZINC001164795278 721509704 /nfs/dbraw/zinc/50/97/04/721509704.db2.gz JGQZTIKMYSMBGI-UHFFFAOYSA-N 2 2 411.558 0.193 20 0 HCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)CC1 ZINC001164797166 721515569 /nfs/dbraw/zinc/51/55/69/721515569.db2.gz HRVGDQGCFUGEKR-UHFFFAOYSA-N 3 2 410.570 0.798 20 0 HCADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164798451 721514974 /nfs/dbraw/zinc/51/49/74/721514974.db2.gz UMTJESHJAKKEKH-UHFFFAOYSA-N 2 2 410.482 0.709 20 0 HCADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@@H]43)[nH+]2)CC1 ZINC001164799477 721595830 /nfs/dbraw/zinc/59/58/30/721595830.db2.gz MIKOODONXNHUGO-BZSNNMDCSA-N 2 2 401.511 0.428 20 0 HCADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)[nH+]2)CC1 ZINC001164799479 721595867 /nfs/dbraw/zinc/59/58/67/721595867.db2.gz MIKOODONXNHUGO-FGTMMUONSA-N 2 2 401.511 0.428 20 0 HCADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@@H]43)[nH+]2)CC1 ZINC001164799481 721595779 /nfs/dbraw/zinc/59/57/79/721595779.db2.gz MIKOODONXNHUGO-OKZBNKHCSA-N 2 2 401.511 0.428 20 0 HCADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@H]43)[nH+]2)CC1 ZINC001164799483 721595849 /nfs/dbraw/zinc/59/58/49/721595849.db2.gz MIKOODONXNHUGO-SQNIBIBYSA-N 2 2 401.511 0.428 20 0 HCADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@H]43)[nH+]2)CC1 ZINC001164799583 721598661 /nfs/dbraw/zinc/59/86/61/721598661.db2.gz IPNSGUMKGQDPCN-BPQIPLTHSA-N 2 2 409.494 0.257 20 0 HCADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)[nH+]2)CC1 ZINC001164799585 721598561 /nfs/dbraw/zinc/59/85/61/721598561.db2.gz IPNSGUMKGQDPCN-NJAFHUGGSA-N 2 2 409.494 0.257 20 0 HCADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)[nH+]2)CC1 ZINC001164799587 721598571 /nfs/dbraw/zinc/59/85/71/721598571.db2.gz IPNSGUMKGQDPCN-RYQLBKOJSA-N 2 2 409.494 0.257 20 0 HCADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@@H]43)[nH+]2)CC1 ZINC001164799589 721598653 /nfs/dbraw/zinc/59/86/53/721598653.db2.gz IPNSGUMKGQDPCN-SZMVWBNQSA-N 2 2 409.494 0.257 20 0 HCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001164822707 720438267 /nfs/dbraw/zinc/43/82/67/720438267.db2.gz GXZNRPSWVBNYBO-KRWDZBQOSA-N 2 2 413.526 0.308 20 0 HCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001164822708 720438047 /nfs/dbraw/zinc/43/80/47/720438047.db2.gz GXZNRPSWVBNYBO-QGZVFWFLSA-N 2 2 413.526 0.308 20 0 HCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1CC[NH2+]C3)C2 ZINC001164823389 720439812 /nfs/dbraw/zinc/43/98/12/720439812.db2.gz IYCFHWPKBQGJGP-INIZCTEOSA-N 2 2 413.526 0.308 20 0 HCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1CC[NH2+]C3)C2 ZINC001164823390 720439686 /nfs/dbraw/zinc/43/96/86/720439686.db2.gz IYCFHWPKBQGJGP-MRXNPFEDSA-N 2 2 413.526 0.308 20 0 HCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(n1)CC[NH2+]C3)C2 ZINC001164824621 720435467 /nfs/dbraw/zinc/43/54/67/720435467.db2.gz OFUBGZKDZMUQEB-GOSISDBHSA-N 2 2 412.538 0.913 20 0 HCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(n1)CC[NH2+]C3)C2 ZINC001164824623 720434662 /nfs/dbraw/zinc/43/46/62/720434662.db2.gz OFUBGZKDZMUQEB-SFHVURJKSA-N 2 2 412.538 0.913 20 0 HCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001164830614 720461582 /nfs/dbraw/zinc/46/15/82/720461582.db2.gz KKNWGTVDMUFSPL-KRWDZBQOSA-N 2 2 413.526 0.308 20 0 HCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001164830616 720462937 /nfs/dbraw/zinc/46/29/37/720462937.db2.gz KKNWGTVDMUFSPL-QGZVFWFLSA-N 2 2 413.526 0.308 20 0 HCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C3C[NH2+]C3)ncn1)C2 ZINC001164832177 720483478 /nfs/dbraw/zinc/48/34/78/720483478.db2.gz JAIHNWAYKYBGLW-KRWDZBQOSA-N 2 2 413.526 0.350 20 0 HCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C3C[NH2+]C3)ncn1)C2 ZINC001164832178 720484435 /nfs/dbraw/zinc/48/44/35/720484435.db2.gz JAIHNWAYKYBGLW-QGZVFWFLSA-N 2 2 413.526 0.350 20 0 HCADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)CC[C@@H]2C1 ZINC001164856726 720883964 /nfs/dbraw/zinc/88/39/64/720883964.db2.gz JCTOYAFMGKPMDS-BRWVUGGUSA-N 2 2 404.515 0.104 20 0 HCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)CC[C@@H]2C1 ZINC001164856726 720883963 /nfs/dbraw/zinc/88/39/63/720883963.db2.gz JCTOYAFMGKPMDS-BRWVUGGUSA-N 2 2 404.515 0.104 20 0 HCADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)CC[C@H]2C1 ZINC001164856732 720884031 /nfs/dbraw/zinc/88/40/31/720884031.db2.gz JCTOYAFMGKPMDS-GVDBMIGSSA-N 2 2 404.515 0.104 20 0 HCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)CC[C@H]2C1 ZINC001164856732 720884029 /nfs/dbraw/zinc/88/40/29/720884029.db2.gz JCTOYAFMGKPMDS-GVDBMIGSSA-N 2 2 404.515 0.104 20 0 HCADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)CC[C@@H]2C1 ZINC001164856734 720884324 /nfs/dbraw/zinc/88/43/24/720884324.db2.gz JCTOYAFMGKPMDS-IXDOHACOSA-N 2 2 404.515 0.104 20 0 HCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)CC[C@@H]2C1 ZINC001164856734 720884323 /nfs/dbraw/zinc/88/43/23/720884323.db2.gz JCTOYAFMGKPMDS-IXDOHACOSA-N 2 2 404.515 0.104 20 0 HCADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)CC[C@H]2C1 ZINC001164856736 720883872 /nfs/dbraw/zinc/88/38/72/720883872.db2.gz JCTOYAFMGKPMDS-YESZJQIVSA-N 2 2 404.515 0.104 20 0 HCADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)CC[C@H]2C1 ZINC001164856736 720883871 /nfs/dbraw/zinc/88/38/71/720883871.db2.gz JCTOYAFMGKPMDS-YESZJQIVSA-N 2 2 404.515 0.104 20 0 HCADLP C[NH+]1CCN(c2ccc(N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)nn2)CC1 ZINC001164858652 720895263 /nfs/dbraw/zinc/89/52/63/720895263.db2.gz MTFINJARYIOQTG-UHFFFAOYSA-N 2 2 421.509 0.440 20 0 HCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]ccc4c3NC(=O)CO4)CC2)C1 ZINC001164873522 721274092 /nfs/dbraw/zinc/27/40/92/721274092.db2.gz NQUDFQIUIWRUBR-UHFFFAOYSA-N 2 2 403.483 0.420 20 0 HCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]ccc4c3NC(=O)CO4)CC2)C1 ZINC001164873522 721274089 /nfs/dbraw/zinc/27/40/89/721274089.db2.gz NQUDFQIUIWRUBR-UHFFFAOYSA-N 2 2 403.483 0.420 20 0 HCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)C1 ZINC001164874535 721279258 /nfs/dbraw/zinc/27/92/58/721279258.db2.gz UFSATPSPGAGKND-UHFFFAOYSA-N 2 2 418.542 0.320 20 0 HCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)C1 ZINC001164874535 721279252 /nfs/dbraw/zinc/27/92/52/721279252.db2.gz UFSATPSPGAGKND-UHFFFAOYSA-N 2 2 418.542 0.320 20 0 HCADLP Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C1C[NH2+]C1 ZINC001164913546 721802011 /nfs/dbraw/zinc/80/20/11/721802011.db2.gz FFCPGXWLMORCJF-JOCHJYFZSA-N 2 2 410.522 0.975 20 0 HCADLP Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C1C[NH2+]C1 ZINC001164913546 721802009 /nfs/dbraw/zinc/80/20/09/721802009.db2.gz FFCPGXWLMORCJF-JOCHJYFZSA-N 2 2 410.522 0.975 20 0 HCADLP Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C1C[NH2+]C1 ZINC001164913547 721801834 /nfs/dbraw/zinc/80/18/34/721801834.db2.gz FFCPGXWLMORCJF-QFIPXVFZSA-N 2 2 410.522 0.975 20 0 HCADLP Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C1C[NH2+]C1 ZINC001164913547 721801832 /nfs/dbraw/zinc/80/18/32/721801832.db2.gz FFCPGXWLMORCJF-QFIPXVFZSA-N 2 2 410.522 0.975 20 0 HCADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ncnc5c4CC[NH2+]CC5)CCO3)C2)c1 ZINC001164913610 721768222 /nfs/dbraw/zinc/76/82/22/721768222.db2.gz YLJMHKWNODNUFL-JOCHJYFZSA-N 2 2 410.522 0.668 20 0 HCADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ncnc5c4CC[NH2+]CC5)CCO3)C2)c1 ZINC001164913610 721768219 /nfs/dbraw/zinc/76/82/19/721768219.db2.gz YLJMHKWNODNUFL-JOCHJYFZSA-N 2 2 410.522 0.668 20 0 HCADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ncnc5c4CC[NH2+]CC5)CCO3)C2)c1 ZINC001164913611 721768602 /nfs/dbraw/zinc/76/86/02/721768602.db2.gz YLJMHKWNODNUFL-QFIPXVFZSA-N 2 2 410.522 0.668 20 0 HCADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ncnc5c4CC[NH2+]CC5)CCO3)C2)c1 ZINC001164913611 721768597 /nfs/dbraw/zinc/76/85/97/721768597.db2.gz YLJMHKWNODNUFL-QFIPXVFZSA-N 2 2 410.522 0.668 20 0 HCADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)cn4)CCO3)C2)c1 ZINC001164916034 721790905 /nfs/dbraw/zinc/79/09/05/721790905.db2.gz OCFGDZYZWBOKTO-HSZRJFAPSA-N 2 2 424.549 0.994 20 0 HCADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)cn4)CCO3)C2)c1 ZINC001164916034 721790903 /nfs/dbraw/zinc/79/09/03/721790903.db2.gz OCFGDZYZWBOKTO-HSZRJFAPSA-N 2 2 424.549 0.994 20 0 HCADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)cn4)CCO3)C2)c1 ZINC001164916035 721791097 /nfs/dbraw/zinc/79/10/97/721791097.db2.gz OCFGDZYZWBOKTO-QHCPKHFHSA-N 2 2 424.549 0.994 20 0 HCADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)cn4)CCO3)C2)c1 ZINC001164916035 721791094 /nfs/dbraw/zinc/79/10/94/721791094.db2.gz OCFGDZYZWBOKTO-QHCPKHFHSA-N 2 2 424.549 0.994 20 0 HCADLP COCCN1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]2C1=O ZINC001164922064 721843568 /nfs/dbraw/zinc/84/35/68/721843568.db2.gz QBWGKPHSAQYFLQ-MSOLQXFVSA-N 2 2 403.527 0.534 20 0 HCADLP COCCN1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]2C1=O ZINC001164922066 721843376 /nfs/dbraw/zinc/84/33/76/721843376.db2.gz QBWGKPHSAQYFLQ-QZTJIDSGSA-N 2 2 403.527 0.534 20 0 HCADLP COCCN1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1=O ZINC001164922068 721843431 /nfs/dbraw/zinc/84/34/31/721843431.db2.gz QBWGKPHSAQYFLQ-ROUUACIJSA-N 2 2 403.527 0.534 20 0 HCADLP COCCN1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1=O ZINC001164922070 721843607 /nfs/dbraw/zinc/84/36/07/721843607.db2.gz QBWGKPHSAQYFLQ-ZWKOTPCHSA-N 2 2 403.527 0.534 20 0 HCADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164944453 721970464 /nfs/dbraw/zinc/97/04/64/721970464.db2.gz IVOLXKUSEVWYBT-UHFFFAOYSA-N 2 2 421.549 0.857 20 0 HCADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164944453 721970462 /nfs/dbraw/zinc/97/04/62/721970462.db2.gz IVOLXKUSEVWYBT-UHFFFAOYSA-N 2 2 421.549 0.857 20 0 HCADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164945056 721975109 /nfs/dbraw/zinc/97/51/09/721975109.db2.gz BGNXRHUOSXDBKM-UHFFFAOYSA-N 2 2 421.549 0.857 20 0 HCADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164945056 721975107 /nfs/dbraw/zinc/97/51/07/721975107.db2.gz BGNXRHUOSXDBKM-UHFFFAOYSA-N 2 2 421.549 0.857 20 0 HCADLP CN(C)S(=O)(=O)N1CC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C1 ZINC001164946294 721988914 /nfs/dbraw/zinc/98/89/14/721988914.db2.gz ARAHLPWBVZKIAL-DLBZAZTESA-N 2 2 408.572 0.398 20 0 HCADLP CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C1 ZINC001164946295 721989064 /nfs/dbraw/zinc/98/90/64/721989064.db2.gz ARAHLPWBVZKIAL-IAGOWNOFSA-N 2 2 408.572 0.398 20 0 HCADLP CN(C)S(=O)(=O)N1CC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C1 ZINC001164946296 721989002 /nfs/dbraw/zinc/98/90/02/721989002.db2.gz ARAHLPWBVZKIAL-IRXDYDNUSA-N 2 2 408.572 0.398 20 0 HCADLP CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C1 ZINC001164946297 721988826 /nfs/dbraw/zinc/98/88/26/721988826.db2.gz ARAHLPWBVZKIAL-SJORKVTESA-N 2 2 408.572 0.398 20 0 HCADLP Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@H]2COC[C@H]12 ZINC001164962864 722037106 /nfs/dbraw/zinc/03/71/06/722037106.db2.gz OPNTWMPLXUSZEO-AOIWGVFYSA-N 2 2 410.522 0.806 20 0 HCADLP Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@@H]2COC[C@@H]12 ZINC001164962867 722037132 /nfs/dbraw/zinc/03/71/32/722037132.db2.gz OPNTWMPLXUSZEO-JENIJYKNSA-N 2 2 410.522 0.806 20 0 HCADLP Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@H]2COC[C@@H]12 ZINC001164962871 722037175 /nfs/dbraw/zinc/03/71/75/722037175.db2.gz OPNTWMPLXUSZEO-LNLFQRSKSA-N 2 2 410.522 0.806 20 0 HCADLP Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@@H]2COC[C@H]12 ZINC001164962876 722037221 /nfs/dbraw/zinc/03/72/21/722037221.db2.gz OPNTWMPLXUSZEO-ZIFCJYIRSA-N 2 2 410.522 0.806 20 0 HCADLP Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164975308 722159979 /nfs/dbraw/zinc/15/99/79/722159979.db2.gz SCENVDWRJZJSGZ-UHFFFAOYSA-N 2 2 411.510 0.560 20 0 HCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164990634 722188828 /nfs/dbraw/zinc/18/88/28/722188828.db2.gz MFLRIBFGGVQSCN-UHFFFAOYSA-N 2 2 424.549 0.689 20 0 HCADLP C[NH+]1CCN(c2ncnc3c2CCN(c2cc[nH+]c(N4CCOCC4)n2)CC3)CC1 ZINC001164996406 722235667 /nfs/dbraw/zinc/23/56/67/722235667.db2.gz GLCKETIAHADNIA-UHFFFAOYSA-N 2 2 410.526 0.460 20 0 HCADLP C[NH+]1CCN(c2ncnc3c2CCN(c2nc(N4CCC([NH3+])CC4)cc[nH+]2)CC3)CC1 ZINC001164996808 722235311 /nfs/dbraw/zinc/23/53/11/722235311.db2.gz JUCPETWCOKGSPH-UHFFFAOYSA-N 3 2 423.569 0.551 20 0 HCADLP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCc2[nH+]cnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997080 722230671 /nfs/dbraw/zinc/23/06/71/722230671.db2.gz OIQZBYSPAUNXKW-UHFFFAOYSA-N 2 2 422.493 0.843 20 0 HCADLP C[NH+]1CCN(c2cccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)[nH+]2)CC1 ZINC001164997213 722235639 /nfs/dbraw/zinc/23/56/39/722235639.db2.gz NZRZMXFTVLORGP-UHFFFAOYSA-N 3 2 422.581 0.980 20 0 HCADLP C[NH+]1CCN(c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)CC1 ZINC001164997716 722229439 /nfs/dbraw/zinc/22/94/39/722229439.db2.gz UDOACTMZODJOST-UHFFFAOYSA-N 2 2 423.569 0.375 20 0 HCADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCOCC3)nc[nH+]1)CCC2 ZINC001165001029 722251077 /nfs/dbraw/zinc/25/10/77/722251077.db2.gz YVOJRVIOFAYMMU-UHFFFAOYSA-N 2 2 401.515 0.998 20 0 HCADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCOCC3)[nH+]cn1)CCC2 ZINC001165001029 722251074 /nfs/dbraw/zinc/25/10/74/722251074.db2.gz YVOJRVIOFAYMMU-UHFFFAOYSA-N 2 2 401.515 0.998 20 0 HCADLP C[NH+]1CCN(c2nccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)n2)CC1 ZINC001165002763 722238486 /nfs/dbraw/zinc/23/84/86/722238486.db2.gz YKHSZOHNVZLIIM-UHFFFAOYSA-N 2 2 423.569 0.375 20 0 HCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CC[NH2+]CC1)C2 ZINC001165008653 721708980 /nfs/dbraw/zinc/70/89/80/721708980.db2.gz KLQDXGSKRDDKGN-UHFFFAOYSA-N 2 2 412.542 0.969 20 0 HCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CC[NH2+]CC1)C2 ZINC001165008653 721708974 /nfs/dbraw/zinc/70/89/74/721708974.db2.gz KLQDXGSKRDDKGN-UHFFFAOYSA-N 2 2 412.542 0.969 20 0 HCADLP CN(C)C(=O)COCc1nnc2n1CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001165011277 721723673 /nfs/dbraw/zinc/72/36/73/721723673.db2.gz OHXABSVOXCCEBU-UHFFFAOYSA-N 2 2 414.514 0.050 20 0 HCADLP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001165019882 721787232 /nfs/dbraw/zinc/78/72/32/721787232.db2.gz KKLQBEWLCCZHKG-JOCHJYFZSA-N 2 2 417.554 0.924 20 0 HCADLP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001165019885 721787360 /nfs/dbraw/zinc/78/73/60/721787360.db2.gz KKLQBEWLCCZHKG-QFIPXVFZSA-N 2 2 417.554 0.924 20 0 HCADLP C1CCC([NH+]2CCN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)CC2)C1 ZINC001165028642 721853554 /nfs/dbraw/zinc/85/35/54/721853554.db2.gz CQXGARWNGPUUKM-UHFFFAOYSA-N 2 2 403.531 0.609 20 0 HCADLP CC[NH+](CC)C1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001165053019 722000634 /nfs/dbraw/zinc/00/06/34/722000634.db2.gz ZIEKZCFALTVIGX-UHFFFAOYSA-N 2 2 405.547 0.855 20 0 HCADLP CC[NH+](CC)C1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001165053019 722000629 /nfs/dbraw/zinc/00/06/29/722000629.db2.gz ZIEKZCFALTVIGX-UHFFFAOYSA-N 2 2 405.547 0.855 20 0 HCADLP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735241 1081362885 /nfs/dbraw/zinc/36/28/85/1081362885.db2.gz KLIRGQYXHIENPA-HNNXBMFYSA-N 3 2 406.531 0.781 20 0 HCADLP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735241 1081362877 /nfs/dbraw/zinc/36/28/77/1081362877.db2.gz KLIRGQYXHIENPA-HNNXBMFYSA-N 3 2 406.531 0.781 20 0 HCADLP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735243 1081362596 /nfs/dbraw/zinc/36/25/96/1081362596.db2.gz KLIRGQYXHIENPA-OAHLLOKOSA-N 3 2 406.531 0.781 20 0 HCADLP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735243 1081362589 /nfs/dbraw/zinc/36/25/89/1081362589.db2.gz KLIRGQYXHIENPA-OAHLLOKOSA-N 3 2 406.531 0.781 20 0 HCADLP COC(=O)c1ccc2c(n1)nc(NC(=[NH2+])N1CC[NH+](C)CC1)nc2N1CCOCC1 ZINC001168735312 1081362534 /nfs/dbraw/zinc/36/25/34/1081362534.db2.gz NOBFDMZAXOGSFH-UHFFFAOYSA-N 2 2 414.470 0.242 20 0 HCADLP CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001212306101 1078816038 /nfs/dbraw/zinc/81/60/38/1078816038.db2.gz AJNKXPQEIONRMS-GOSISDBHSA-N 2 2 416.588 0.751 20 0 HCADLP CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001212306101 1078816036 /nfs/dbraw/zinc/81/60/36/1078816036.db2.gz AJNKXPQEIONRMS-GOSISDBHSA-N 2 2 416.588 0.751 20 0 HCADLP CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001212306105 1078816053 /nfs/dbraw/zinc/81/60/53/1078816053.db2.gz AJNKXPQEIONRMS-SFHVURJKSA-N 2 2 416.588 0.751 20 0 HCADLP CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001212306105 1078816051 /nfs/dbraw/zinc/81/60/51/1078816051.db2.gz AJNKXPQEIONRMS-SFHVURJKSA-N 2 2 416.588 0.751 20 0 HCADLP