smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cnn1C ZINC000011951322 962213954 /nfs/dbraw/zinc/21/39/54/962213954.db2.gz FJMLSDSULQPWKT-VWLOTQADSA-N 2 0 410.606 3.930 50 0 HHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000012717004 962319660 /nfs/dbraw/zinc/31/96/60/962319660.db2.gz FSHANVCYOABKDC-FQEVSTJZSA-N 2 0 423.548 3.881 50 0 HHAARP C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4ccc(-c5ccco5)cc4)[N@@H+]4CCC[C@@]34C2=O)CC1 ZINC000012747174 962324097 /nfs/dbraw/zinc/32/40/97/962324097.db2.gz AWADSBHJWVLQBL-XTJBDQBJSA-N 2 0 405.542 3.779 50 0 HHAARP C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4ccccc4-c4ccco4)[N@@H+]4CCC[C@@]34C2=O)CC1 ZINC000014949555 962613230 /nfs/dbraw/zinc/61/32/30/962613230.db2.gz YPGJSKYYPRCBRE-PZGSVQSZSA-N 2 0 405.542 3.779 50 0 HHAARP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020453397 963388962 /nfs/dbraw/zinc/38/89/62/963388962.db2.gz LIOIJVSREJUSHN-UHFFFAOYSA-N 2 0 418.541 3.744 50 0 HHAARP Cc1ccccc1-c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000023358770 963807310 /nfs/dbraw/zinc/80/73/10/963807310.db2.gz LYMRGEPJOZHWFK-VWLOTQADSA-N 2 0 407.602 3.625 50 0 HHAARP O=C(c1ccccc1)c1cc[n+](CCC[n+]2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000001205257 557240674 /nfs/dbraw/zinc/24/06/74/557240674.db2.gz GAMHOAUTWSYPHS-UHFFFAOYSA-N 2 0 408.501 3.814 50 0 HHAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1)C1CC[NH+](C)CC1 ZINC000011665851 558268923 /nfs/dbraw/zinc/26/89/23/558268923.db2.gz JFHQNXCPLZSZCW-FQEVSTJZSA-N 2 0 408.590 3.780 50 0 HHAARP COCC1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000011816719 558280128 /nfs/dbraw/zinc/28/01/28/558280128.db2.gz NFGVGRBYNUIFKA-HSZRJFAPSA-N 2 0 404.595 3.549 50 0 HHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc(F)cc1 ZINC000011952600 558303013 /nfs/dbraw/zinc/30/30/13/558303013.db2.gz GWBJUOKDXOHPCE-LJQANCHMSA-N 2 0 415.528 3.881 50 0 HHAARP COc1cc(C(=O)N(C)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC1CC[NH+](C)CC1 ZINC000012001381 558308456 /nfs/dbraw/zinc/30/84/56/558308456.db2.gz OUSQFJGOSUSJGC-UHFFFAOYSA-N 2 0 417.594 3.549 50 0 HHAARP COc1ccc(C[NH2+]C2CCCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012055353 558315598 /nfs/dbraw/zinc/31/55/98/558315598.db2.gz NRXLYAYUOABZBJ-QHCPKHFHSA-N 2 0 412.574 3.989 50 0 HHAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000012300670 558370341 /nfs/dbraw/zinc/37/03/41/558370341.db2.gz UQZVIHBXIYDNOD-OAQYLSRUSA-N 2 0 420.981 3.762 50 0 HHAARP Cc1cc(C)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)o1 ZINC000012314478 558377849 /nfs/dbraw/zinc/37/78/49/558377849.db2.gz KITZLUXXKRQRIF-HXUWFJFHSA-N 2 0 415.553 3.952 50 0 HHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccsc1 ZINC000012373306 558390636 /nfs/dbraw/zinc/39/06/36/558390636.db2.gz GTBAVGKKIMWVSV-GOSISDBHSA-N 2 0 403.567 3.803 50 0 HHAARP Cc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000033129022 558882574 /nfs/dbraw/zinc/88/25/74/558882574.db2.gz GKUVYVZCNYDLQD-UHFFFAOYSA-N 2 0 406.574 3.635 50 0 HHAARP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2ccsc2)CC1 ZINC000014996869 568722950 /nfs/dbraw/zinc/72/29/50/568722950.db2.gz SFEFXLPTURQNFL-UHFFFAOYSA-N 2 0 405.637 3.834 50 0 HHAARP C[NH+](C)[C@H](CNc1nc(NC[C@@H](c2ccco2)[NH+](C)C)ncc1Cl)c1ccco1 ZINC000083847771 568918558 /nfs/dbraw/zinc/91/85/58/568918558.db2.gz UDRKVVRIGCOIDX-CVEARBPZSA-N 2 0 418.929 3.746 50 0 HHAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2ccc(C)cc2)ccc1OC ZINC000012202025 962252650 /nfs/dbraw/zinc/25/26/50/962252650.db2.gz XOVWOFCEVCULRZ-JOCHJYFZSA-N 2 0 400.563 3.717 50 0 HHAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CCc2ccc(O)cc2)c1)C1CCCCC1 ZINC000014980864 962617664 /nfs/dbraw/zinc/61/76/64/962617664.db2.gz WWYPBZHLMBHBIR-DEOSSOPVSA-N 2 0 412.574 3.729 50 0 HHAARP Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000034682360 557384022 /nfs/dbraw/zinc/38/40/22/557384022.db2.gz QRXHRHMTDSEGJM-UHFFFAOYSA-N 2 0 420.601 3.533 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000012076205 558319820 /nfs/dbraw/zinc/31/98/20/558319820.db2.gz XJIXUZMUXVQFHE-DEOSSOPVSA-N 2 0 408.517 3.987 50 0 HHAARP COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012205508 558352551 /nfs/dbraw/zinc/35/25/51/558352551.db2.gz CWFHFTDBRIDEGQ-OAQYLSRUSA-N 2 0 404.526 3.512 50 0 HHAARP O[C@H](COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000020454943 558368638 /nfs/dbraw/zinc/36/86/38/558368638.db2.gz KJMWVTLTNPQBQU-QFIPXVFZSA-N 2 0 402.966 3.898 50 0 HHAARP COc1ccc(C[NH+]2CCC(C)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012301263 558370975 /nfs/dbraw/zinc/37/09/75/558370975.db2.gz HXIWLCRGTVQISM-HSZRJFAPSA-N 2 0 412.574 3.799 50 0 HHAARP CC[N@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012438411 558410017 /nfs/dbraw/zinc/41/00/17/558410017.db2.gz UWEPOVFTSBYRPV-HXUWFJFHSA-N 2 0 415.622 3.722 50 0 HHAARP CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C[NH+]1CCCCCC1 ZINC000012572619 558429743 /nfs/dbraw/zinc/42/97/43/558429743.db2.gz CUUJOQNPEPKGBP-NRFANRHFSA-N 2 0 406.014 3.929 50 0 HHAARP C[C@H](CC1CC1)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012592993 558436442 /nfs/dbraw/zinc/43/64/42/558436442.db2.gz BXVLMHFZWWYKTP-MRXNPFEDSA-N 2 0 407.986 3.663 50 0 HHAARP C[N@@H+](Cc1cccn1-c1ncccn1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000014963756 558684995 /nfs/dbraw/zinc/68/49/95/558684995.db2.gz BFZQMTBKIFFWHG-UHFFFAOYSA-N 2 0 407.537 3.793 50 0 HHAARP COc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000014968180 558686289 /nfs/dbraw/zinc/68/62/89/558686289.db2.gz PNQUSCBWNRLACX-NRFANRHFSA-N 2 0 420.981 3.761 50 0 HHAARP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183312 558875231 /nfs/dbraw/zinc/87/52/31/558875231.db2.gz QISPJOWAWNJVIT-QHCPKHFHSA-N 2 0 420.601 3.911 50 0 HHAARP CCC(CC)[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)[NH+]1CCCC1 ZINC000058394067 558923985 /nfs/dbraw/zinc/92/39/85/558923985.db2.gz GCUIKPMWQAFNBP-HSZRJFAPSA-N 2 0 415.626 3.769 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011950594 559268906 /nfs/dbraw/zinc/26/89/06/559268906.db2.gz USENGLFJZIJEIU-NRFANRHFSA-N 2 0 416.562 3.891 50 0 HHAARP Fc1ccc(Cn2nc(C[NH2+]CC3CC[NH2+]CC3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492211 568820484 /nfs/dbraw/zinc/82/04/84/568820484.db2.gz VPJJNDKZRIHCQS-UHFFFAOYSA-N 2 0 413.928 3.875 50 0 HHAARP CC[NH+](CC)CCOC(=O)Nc1ccc(C)c(NC(=O)OCC[NH+](CC)CC)c1 ZINC000004775536 569289185 /nfs/dbraw/zinc/28/91/85/569289185.db2.gz MLPZIFDIEPIDIT-UHFFFAOYSA-N 2 0 408.543 3.776 50 0 HHAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](Cc3ccncc3)C[C@@H]3CCCO3)CC1)C2 ZINC000011938491 962211753 /nfs/dbraw/zinc/21/17/53/962211753.db2.gz RUUAFROVJDGKFT-SANMLTNESA-N 2 0 405.586 3.942 50 0 HHAARP Cc1c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cnn1C ZINC000011951327 962214260 /nfs/dbraw/zinc/21/42/60/962214260.db2.gz FJMLSDSULQPWKT-RUZDIDTESA-N 2 0 410.606 3.930 50 0 HHAARP C[N@@H+](Cc1ccccc1OCCO)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012591869 962297557 /nfs/dbraw/zinc/29/75/57/962297557.db2.gz DSMJIRDABQWBMV-UHFFFAOYSA-N 2 0 400.538 3.583 50 0 HHAARP C[C@H](CC1(C)CC1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012705004 962314188 /nfs/dbraw/zinc/31/41/88/962314188.db2.gz NJGZXEODDWLLPA-LJQANCHMSA-N 2 0 401.595 3.742 50 0 HHAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000012755368 962324486 /nfs/dbraw/zinc/32/44/86/962324486.db2.gz MESXQNNJHQLMGC-HSZRJFAPSA-N 2 0 415.622 3.734 50 0 HHAARP C[N@H+](Cc1cccc(OCCCNC(=O)C2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000014989317 962618896 /nfs/dbraw/zinc/61/88/96/962618896.db2.gz BTGWMXFLIAJRGQ-UHFFFAOYSA-N 2 0 401.595 3.678 50 0 HHAARP CSc1ncc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000015067385 962645456 /nfs/dbraw/zinc/64/54/56/962645456.db2.gz VYWROMVACAMSIL-NRFANRHFSA-N 2 0 404.624 3.834 50 0 HHAARP CC(=O)N1CCC([NH+]2CCC([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)CC1 ZINC000019838032 963376047 /nfs/dbraw/zinc/37/60/47/963376047.db2.gz XZZLDMDIIXNKMF-OAQYLSRUSA-N 2 0 403.998 3.885 50 0 HHAARP CCC[NH+]1CCN(C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)CC1 ZINC000039358072 966492261 /nfs/dbraw/zinc/49/22/61/966492261.db2.gz NKNDWLQTJHTKCW-UHFFFAOYSA-N 2 0 401.595 3.744 50 0 HHAARP O[C@H](COc1ccc(C[NH2+]CCn2ccc3ccccc32)cc1)C[NH+]1CCCCC1 ZINC000011818505 558281793 /nfs/dbraw/zinc/28/17/93/558281793.db2.gz VTQVETSCBYWVKX-QHCPKHFHSA-N 2 0 407.558 3.657 50 0 HHAARP CCc1ccc(C[NH+]2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)o1 ZINC000011950299 558302705 /nfs/dbraw/zinc/30/27/05/558302705.db2.gz FEPPBQFZLGJJBI-UHFFFAOYSA-N 2 0 413.562 3.519 50 0 HHAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccc(C)cc2)C1 ZINC000012054410 558315132 /nfs/dbraw/zinc/31/51/32/558315132.db2.gz ODQBNNQLEDMAPQ-QFIPXVFZSA-N 2 0 423.601 3.920 50 0 HHAARP O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1C[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000012056832 558316196 /nfs/dbraw/zinc/31/61/96/558316196.db2.gz CDJVABFBWVRXFK-UPVQGACJSA-N 2 0 424.564 3.919 50 0 HHAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000012074358 558319256 /nfs/dbraw/zinc/31/92/56/558319256.db2.gz KZXLZAOUTRRLDT-GOSISDBHSA-N 2 0 423.548 3.833 50 0 HHAARP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)CC1 ZINC000012111802 558326169 /nfs/dbraw/zinc/32/61/69/558326169.db2.gz ZJHUMQXIALRMAY-FQEVSTJZSA-N 2 0 403.586 3.659 50 0 HHAARP CCOC(=O)c1n[nH]cc1C[N@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012314558 558378066 /nfs/dbraw/zinc/37/80/66/558378066.db2.gz YXAIGGAZPPXENJ-UHFFFAOYSA-N 2 0 418.969 3.626 50 0 HHAARP C[N@@H+](Cc1ccc(OCCO)cc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012613095 558439113 /nfs/dbraw/zinc/43/91/13/558439113.db2.gz LAAZEEYATJBXSP-UHFFFAOYSA-N 2 0 400.538 3.583 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000012718107 558455942 /nfs/dbraw/zinc/45/59/42/558455942.db2.gz ZYPYGAFWCCEIFY-SANMLTNESA-N 2 0 416.565 3.815 50 0 HHAARP OCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000014960410 558683819 /nfs/dbraw/zinc/68/38/19/558683819.db2.gz REUJUSLOYQBROL-NRFANRHFSA-N 2 0 416.537 3.804 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000014963468 558684988 /nfs/dbraw/zinc/68/49/88/558684988.db2.gz ZNKLOUSJVHPISO-DEOSSOPVSA-N 2 0 408.517 3.987 50 0 HHAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cccn3-c3ncccn3)CC2)cc1 ZINC000014974663 558688862 /nfs/dbraw/zinc/68/88/62/558688862.db2.gz WXERQGLBPOIRQY-UHFFFAOYSA-N 2 0 419.573 3.662 50 0 HHAARP Cc1ccc(C[NH+]2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)o1 ZINC000014982026 558692253 /nfs/dbraw/zinc/69/22/53/558692253.db2.gz QAQMIFURQZXYPU-UHFFFAOYSA-N 2 0 403.596 3.674 50 0 HHAARP C[NH+](C)CCCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000019808896 558777537 /nfs/dbraw/zinc/77/75/37/558777537.db2.gz LXTOBPMIIKMKLX-UHFFFAOYSA-N 2 0 409.574 3.546 50 0 HHAARP Cc1ncc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)[nH]1 ZINC000067920716 558994696 /nfs/dbraw/zinc/99/46/96/558994696.db2.gz BTUATNRNENWUIG-QFIPXVFZSA-N 2 0 400.542 3.750 50 0 HHAARP O=c1occ(C[NH+]2CCc3ccccc3C2)c([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373437 560792855 /nfs/dbraw/zinc/79/28/55/560792855.db2.gz SLAJUOZUPUEYNH-QFIPXVFZSA-N 2 0 416.521 3.893 50 0 HHAARP CCOC(=O)c1c(NC(=O)C[NH+](CC)CC)sc(C[NH+](C)C)c1-c1ccccc1 ZINC000000846843 568710574 /nfs/dbraw/zinc/71/05/74/568710574.db2.gz RDHMFNVOGMZAQC-UHFFFAOYSA-N 2 0 417.575 3.934 50 0 HHAARP COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000015062379 568748973 /nfs/dbraw/zinc/74/89/73/568748973.db2.gz XFXPPJZKEIHVSW-HSZRJFAPSA-N 2 0 412.574 3.943 50 0 HHAARP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012879095 569014066 /nfs/dbraw/zinc/01/40/66/569014066.db2.gz ASYKZGVEODZQHS-DNQXCXABSA-N 2 0 406.574 3.960 50 0 HHAARP O[C@@H](COc1cccc(C[NH2+]C(C2CC2)C2CC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000012702260 962314251 /nfs/dbraw/zinc/31/42/51/962314251.db2.gz BILKMLFBRLYXNU-XMMPIXPASA-N 2 0 406.570 3.763 50 0 HHAARP COc1ccc(C[NH2+]C(C2CC2)C2CC2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012716444 962318813 /nfs/dbraw/zinc/31/88/13/962318813.db2.gz VFGDEGLZFGKCMP-QFIPXVFZSA-N 2 0 416.606 3.979 50 0 HHAARP CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1ccccc1)C2 ZINC000019222367 963357491 /nfs/dbraw/zinc/35/74/91/963357491.db2.gz UOOKEUKXPMFVSC-SANMLTNESA-N 2 0 413.650 3.766 50 0 HHAARP CCN1CCC[C@H]1C[N@@H+](Cc1cccc(C(C)=O)c1)CC1CC[NH+](CCOC)CC1 ZINC000022851390 963729404 /nfs/dbraw/zinc/72/94/04/963729404.db2.gz MDYQQTDKRUPAKP-VWLOTQADSA-N 2 0 415.622 3.534 50 0 HHAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC ZINC000012056132 558315948 /nfs/dbraw/zinc/31/59/48/558315948.db2.gz AANSUGYZXODQBE-OAQYLSRUSA-N 2 0 420.981 3.762 50 0 HHAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012314072 558377552 /nfs/dbraw/zinc/37/75/52/558377552.db2.gz FGTKHRUFFBCOQK-QHCPKHFHSA-N 2 0 412.574 3.909 50 0 HHAARP COc1ccc(/C=C/C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012373348 558390825 /nfs/dbraw/zinc/39/08/25/558390825.db2.gz MRZOBYROKNDFPC-UKKYDJSUSA-N 2 0 413.606 3.753 50 0 HHAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CCCc2cccnc2)c1)C1CCCCC1 ZINC000012436104 558408712 /nfs/dbraw/zinc/40/87/12/558408712.db2.gz JSOPTIJBWGQCIF-DEOSSOPVSA-N 2 0 411.590 3.808 50 0 HHAARP CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CC[NH+](CC)CC1 ZINC000012711562 558452677 /nfs/dbraw/zinc/45/26/77/558452677.db2.gz XLWNDVDNCSQBDS-NRFANRHFSA-N 2 0 403.586 3.661 50 0 HHAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3-c3ccco3)C[C@@H]2CCO)CC1 ZINC000022913333 558520354 /nfs/dbraw/zinc/52/03/54/558520354.db2.gz KYEAKSSMVVWSFW-QHCPKHFHSA-N 2 0 411.590 3.688 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000014963464 558684896 /nfs/dbraw/zinc/68/48/96/558684896.db2.gz ZNKLOUSJVHPISO-XMMPIXPASA-N 2 0 408.517 3.987 50 0 HHAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000015068416 558710815 /nfs/dbraw/zinc/71/08/15/558710815.db2.gz QJTZZIJFJZKXIK-JOCHJYFZSA-N 2 0 422.013 3.625 50 0 HHAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(O)c(Cl)c2)CC1 ZINC000055133536 558873885 /nfs/dbraw/zinc/87/38/85/558873885.db2.gz UAKMNSBLOGPROT-UHFFFAOYSA-N 2 0 403.954 3.801 50 0 HHAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004690499 558904311 /nfs/dbraw/zinc/90/43/11/558904311.db2.gz NONUIFBXSIXYFG-UHFFFAOYSA-N 2 0 423.601 3.936 50 0 HHAARP CCC(CC)[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)[NH+]1CCCC1 ZINC000058394068 558923990 /nfs/dbraw/zinc/92/39/90/558923990.db2.gz GCUIKPMWQAFNBP-QHCPKHFHSA-N 2 0 415.626 3.769 50 0 HHAARP COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000095511140 559083818 /nfs/dbraw/zinc/08/38/18/559083818.db2.gz UHOMWPWAOSJSPS-QFIPXVFZSA-N 2 0 402.579 3.851 50 0 HHAARP CN(c1ccccc1C[NH2+]Cc1ccccc1Cn1cccn1)C1CC[NH+](C)CC1 ZINC000079073507 569426843 /nfs/dbraw/zinc/42/68/43/569426843.db2.gz WTRSFNYTOILCPL-UHFFFAOYSA-N 2 0 403.574 3.752 50 0 HHAARP COc1cc(C[NH2+]CCc2ccco2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011766425 962184072 /nfs/dbraw/zinc/18/40/72/962184072.db2.gz KCHHUZMTXYTUPQ-OAQYLSRUSA-N 2 0 416.562 3.625 50 0 HHAARP CCOc1ccccc1C[NH+]1CCC(CCC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000011839116 962200753 /nfs/dbraw/zinc/20/07/53/962200753.db2.gz QHTQUOUYQCDFEH-JOCHJYFZSA-N 2 0 401.595 3.678 50 0 HHAARP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000012193600 962250918 /nfs/dbraw/zinc/25/09/18/962250918.db2.gz YBPTXPFHCMZMRA-UHFFFAOYSA-N 2 0 401.595 3.886 50 0 HHAARP CSc1ncc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000015067387 962644794 /nfs/dbraw/zinc/64/47/94/962644794.db2.gz VYWROMVACAMSIL-OAQYLSRUSA-N 2 0 404.624 3.834 50 0 HHAARP c1cnn(CCCN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000019222553 963357474 /nfs/dbraw/zinc/35/74/74/963357474.db2.gz FPTGUDZVJOSFFF-QHCPKHFHSA-N 2 0 401.643 3.716 50 0 HHAARP OCC[C@H]1CN(Cc2ccc(C[NH+]3CCCC3)s2)CC[N@@H+]1CC1CCCCC1 ZINC000023360732 963807251 /nfs/dbraw/zinc/80/72/51/963807251.db2.gz JIWJEYNMJBXNEK-NRFANRHFSA-N 2 0 405.652 3.793 50 0 HHAARP Cc1ccccc1C[N@@H+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1CCO ZINC000023375257 963811022 /nfs/dbraw/zinc/81/10/22/963811022.db2.gz UNZKDBYGEMLSCD-SANMLTNESA-N 2 0 407.602 3.528 50 0 HHAARP CC[NH+]1CCN(c2nc3cc4c(cc3cc2C[NH2+]Cc2cccc(F)c2)OCO4)CC1 ZINC000012155576 132355431 /nfs/dbraw/zinc/35/54/31/132355431.db2.gz PMMREDJLJBDQSM-UHFFFAOYSA-N 2 0 422.504 3.534 50 0 HHAARP O[C@@H](COc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)C[NH+]1CCCCC1 ZINC000011662318 558266216 /nfs/dbraw/zinc/26/62/16/558266216.db2.gz KWDKYLRHVJNHMX-HSZRJFAPSA-N 2 0 420.557 3.592 50 0 HHAARP COc1ccc(C[N@H+](C)CCc2ccccc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011933426 558298232 /nfs/dbraw/zinc/29/82/32/558298232.db2.gz IEDREFAFVXETGR-HSZRJFAPSA-N 2 0 412.574 3.595 50 0 HHAARP COc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012076540 558320217 /nfs/dbraw/zinc/32/02/17/558320217.db2.gz UVBRARIDQWBIDI-NRFANRHFSA-N 2 0 404.526 3.512 50 0 HHAARP CC[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020212341 558347733 /nfs/dbraw/zinc/34/77/33/558347733.db2.gz RUGMAWYFZRANSR-JOCHJYFZSA-N 2 0 424.555 3.776 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012224771 558356838 /nfs/dbraw/zinc/35/68/38/558356838.db2.gz BGTPLRYIDYHLEI-LJQANCHMSA-N 2 0 406.954 3.718 50 0 HHAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000012574391 558430444 /nfs/dbraw/zinc/43/04/44/558430444.db2.gz YVPCCGKLTFHSNH-KRWDZBQOSA-N 2 0 407.986 3.590 50 0 HHAARP O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000012755061 558459882 /nfs/dbraw/zinc/45/98/82/558459882.db2.gz VAZLHZAFMINZAC-HSZRJFAPSA-N 2 0 409.574 3.705 50 0 HHAARP COCC[N@@H+](Cc1ccc2nonc2c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014960850 558683897 /nfs/dbraw/zinc/68/38/97/558683897.db2.gz NUNDMQNFFUEJDQ-UHFFFAOYSA-N 2 0 424.545 3.592 50 0 HHAARP O=C1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018220158 558833941 /nfs/dbraw/zinc/83/39/41/558833941.db2.gz QMIKRFQPQXMFLL-LJQANCHMSA-N 2 0 417.962 3.535 50 0 HHAARP Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000067622844 558990011 /nfs/dbraw/zinc/99/00/11/558990011.db2.gz DVSFXORUFKKWRS-UHFFFAOYSA-N 2 0 406.574 3.598 50 0 HHAARP Cc1ocnc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095499740 559082137 /nfs/dbraw/zinc/08/21/37/559082137.db2.gz RNQDULZYYJXOJV-FQEVSTJZSA-N 2 0 402.583 3.566 50 0 HHAARP Cc1ncsc1CCC[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000015068958 568749183 /nfs/dbraw/zinc/74/91/83/568749183.db2.gz FGDDCDNBHSHDTD-OAQYLSRUSA-N 2 0 417.619 3.790 50 0 HHAARP C[NH+](C)[C@@H](CNc1ncc(Cl)c(NC[C@@H](c2ccco2)[NH+](C)C)n1)c1ccco1 ZINC000083847769 568918539 /nfs/dbraw/zinc/91/85/39/568918539.db2.gz UDRKVVRIGCOIDX-HOTGVXAUSA-N 2 0 418.929 3.746 50 0 HHAARP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000008602081 571090585 /nfs/dbraw/zinc/09/05/85/571090585.db2.gz FNSKUYDSWDNTPG-UHFFFAOYSA-N 2 0 418.585 3.579 50 0 HHAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccc(CO)o2)C[C@@H]2CCCO2)CC1 ZINC000011763078 962182461 /nfs/dbraw/zinc/18/24/61/962182461.db2.gz RGIQHRNOPIOYFM-QHCPKHFHSA-N 2 0 412.574 3.974 50 0 HHAARP C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4ccccc4C(F)(F)F)[N@@H+]4CCC[C@@]34C2=O)CC1 ZINC000011816722 962198064 /nfs/dbraw/zinc/19/80/64/962198064.db2.gz BMUFMCCPAAOOCS-ZRCAFCQKSA-N 2 0 407.480 3.537 50 0 HHAARP COC1CC[NH+](Cc2cc(Cl)ccc2OC[C@H](O)C[NH+]2CCCCCC2)CC1 ZINC000012373516 962274102 /nfs/dbraw/zinc/27/41/02/962274102.db2.gz DIMJSCUULTYOQA-HXUWFJFHSA-N 2 0 410.986 3.567 50 0 HHAARP CCOCc1cc(C[N@H+](CC)CC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OC ZINC000015073389 962649693 /nfs/dbraw/zinc/64/96/93/962649693.db2.gz FZBXSEHPKGYQBZ-UHFFFAOYSA-N 2 0 417.638 3.860 50 0 HHAARP COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011998423 558307508 /nfs/dbraw/zinc/30/75/08/558307508.db2.gz CKUCZFQGCUHIKI-QHCPKHFHSA-N 2 0 412.574 3.562 50 0 HHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000012313847 558377255 /nfs/dbraw/zinc/37/72/55/558377255.db2.gz OWMBFJWUVCBSJP-LJQANCHMSA-N 2 0 418.651 3.615 50 0 HHAARP CC[NH+](CC)CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012373326 558390853 /nfs/dbraw/zinc/39/08/53/558390853.db2.gz HPDBLLPZLCALRO-XMMPIXPASA-N 2 0 415.622 3.556 50 0 HHAARP c1cnn(CCC[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012429475 558404487 /nfs/dbraw/zinc/40/44/87/558404487.db2.gz BWUSSBDJXQAPKQ-SANMLTNESA-N 2 0 422.617 3.634 50 0 HHAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CCCc2cccnc2)c1)C1CCCCC1 ZINC000012436101 558408794 /nfs/dbraw/zinc/40/87/94/558408794.db2.gz JSOPTIJBWGQCIF-XMMPIXPASA-N 2 0 411.590 3.808 50 0 HHAARP Cc1nc[nH]c1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012445221 558413543 /nfs/dbraw/zinc/41/35/43/558413543.db2.gz GICZZOBADJSXHM-OAQYLSRUSA-N 2 0 400.542 3.750 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000012718105 558455975 /nfs/dbraw/zinc/45/59/75/558455975.db2.gz ZYPYGAFWCCEIFY-AREMUKBSSA-N 2 0 416.565 3.815 50 0 HHAARP Cc1nn(CCO)cc1C[N@@H+]1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072458469 558983058 /nfs/dbraw/zinc/98/30/58/558983058.db2.gz JSKPHFPZEDKDEL-UHFFFAOYSA-N 2 0 419.573 3.675 50 0 HHAARP O=C(NCc1ccco1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082092605 559037103 /nfs/dbraw/zinc/03/71/03/559037103.db2.gz XVMDHLBETRAOTL-UHFFFAOYSA-N 2 0 409.574 3.705 50 0 HHAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(-c4ccco4)cc3)C[C@@H]2CCO)CC1 ZINC000095347067 559079594 /nfs/dbraw/zinc/07/95/94/559079594.db2.gz HJJOAPMOSNFVMN-DEOSSOPVSA-N 2 0 411.590 3.688 50 0 HHAARP C[NH+](C)[C@H](CNc1ncc(Cl)c(NC[C@H](c2ccco2)[NH+](C)C)n1)c1ccco1 ZINC000083847776 568918543 /nfs/dbraw/zinc/91/85/43/568918543.db2.gz UDRKVVRIGCOIDX-HZPDHXFCSA-N 2 0 418.929 3.746 50 0 HHAARP CCC(CC)[NH+]1CCN(C(=O)c2cccc3[nH]cc(C[NH+]4CCSCC4)c32)CC1 ZINC000065135864 569184079 /nfs/dbraw/zinc/18/40/79/569184079.db2.gz LBEZUYIGMIBZFO-UHFFFAOYSA-N 2 0 414.619 3.663 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011814813 962197362 /nfs/dbraw/zinc/19/73/62/962197362.db2.gz SEVBAMMHJRMSPD-MRXNPFEDSA-N 2 0 410.967 3.535 50 0 HHAARP CCn1cc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)c(C)n1 ZINC000011879245 962204846 /nfs/dbraw/zinc/20/48/46/962204846.db2.gz IJHFTWGIADDJSV-UHFFFAOYSA-N 2 0 402.558 3.711 50 0 HHAARP O[C@@H](COc1ccccc1C[NH2+]C(C1CC1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012387155 962273719 /nfs/dbraw/zinc/27/37/19/962273719.db2.gz UACQWMSMVCHSEV-XMMPIXPASA-N 2 0 406.570 3.763 50 0 HHAARP CC(C)C[N@@H+]1C[C@@H](C[NH+]2CCCC2)C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000014732438 962563723 /nfs/dbraw/zinc/56/37/23/962563723.db2.gz KIAIIXWLNBROTA-IFMALSPDSA-N 2 0 410.606 3.517 50 0 HHAARP CN1CCC([N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000020540195 523766630 /nfs/dbraw/zinc/76/66/30/523766630.db2.gz UUNYSQSATRMLON-HSZRJFAPSA-N 2 0 403.586 3.613 50 0 HHAARP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)C1 ZINC000011817140 558280376 /nfs/dbraw/zinc/28/03/76/558280376.db2.gz RIPMJQGFORJIGI-QFIPXVFZSA-N 2 0 403.586 3.659 50 0 HHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1=CCCCC1 ZINC000011996963 558306842 /nfs/dbraw/zinc/30/68/42/558306842.db2.gz NDGZXZRUORZAKD-FQEVSTJZSA-N 2 0 401.570 3.928 50 0 HHAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC ZINC000012056135 558315935 /nfs/dbraw/zinc/31/59/35/558315935.db2.gz AANSUGYZXODQBE-NRFANRHFSA-N 2 0 420.981 3.762 50 0 HHAARP CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000012056920 558316106 /nfs/dbraw/zinc/31/61/06/558316106.db2.gz OUXACKJYKVAILL-JOCHJYFZSA-N 2 0 403.586 3.661 50 0 HHAARP Cc1nc[nH]c1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012445220 558413390 /nfs/dbraw/zinc/41/33/90/558413390.db2.gz GICZZOBADJSXHM-NRFANRHFSA-N 2 0 400.542 3.750 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012579754 558432138 /nfs/dbraw/zinc/43/21/38/558432138.db2.gz SUJQNQYZCKUNNR-NRFANRHFSA-N 2 0 416.562 3.892 50 0 HHAARP OCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000014960414 558683908 /nfs/dbraw/zinc/68/39/08/558683908.db2.gz REUJUSLOYQBROL-OAQYLSRUSA-N 2 0 416.537 3.804 50 0 HHAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000095355801 559079948 /nfs/dbraw/zinc/07/99/48/559079948.db2.gz JTXLDCNKQFTYOR-GEYBBGHHSA-N 2 0 402.554 3.678 50 0 HHAARP COc1cc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000079073501 569426791 /nfs/dbraw/zinc/42/67/91/569426791.db2.gz YUELTUSGHYOQKI-UHFFFAOYSA-N 2 0 413.562 3.533 50 0 HHAARP COc1ccc(C[NH2+]CCCSC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012208758 962253507 /nfs/dbraw/zinc/25/35/07/962253507.db2.gz FZVXKFUKERTPKL-FQEVSTJZSA-N 2 0 410.624 3.544 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012297988 962267231 /nfs/dbraw/zinc/26/72/31/962267231.db2.gz HCGCPEARIYQGAH-MRXNPFEDSA-N 2 0 410.967 3.535 50 0 HHAARP C[N@@H+](Cc1cccc(OCCO)c1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012592964 962299290 /nfs/dbraw/zinc/29/92/90/962299290.db2.gz XODMDBQVBIUZHG-UHFFFAOYSA-N 2 0 400.538 3.583 50 0 HHAARP CSc1cccc(C[NH2+]Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)c1 ZINC000012710868 962315719 /nfs/dbraw/zinc/31/57/19/962315719.db2.gz FLMXCATVUWTSNY-OAQYLSRUSA-N 2 0 400.588 3.924 50 0 HHAARP COc1ccc(C[NH2+]C(C2CC2)C2CC2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012716448 962318310 /nfs/dbraw/zinc/31/83/10/962318310.db2.gz VFGDEGLZFGKCMP-JOCHJYFZSA-N 2 0 416.606 3.979 50 0 HHAARP COCC[N@@H+](Cc1cnn(C(C)C)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014977282 962616799 /nfs/dbraw/zinc/61/67/99/962616799.db2.gz SXZDOJKJEINWGN-UHFFFAOYSA-N 2 0 414.594 3.833 50 0 HHAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(C4CCCCC4)s3)C[C@H]2CCO)CC1 ZINC000104529732 969202688 /nfs/dbraw/zinc/20/26/88/969202688.db2.gz FBUKRQYEBSKTAZ-OAQYLSRUSA-N 2 0 405.652 3.759 50 0 HHAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 ZINC000020541703 526467908 /nfs/dbraw/zinc/46/79/08/526467908.db2.gz IOCXSNIZVMPXIC-HSZRJFAPSA-N 2 0 409.618 3.733 50 0 HHAARP Cc1cccc([C@H]2C[C@@H](C(=O)NCC[NH+]3CCCC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711165 557390355 /nfs/dbraw/zinc/39/03/55/557390355.db2.gz CEZSQVONUKUXAV-BJKOFHAPSA-N 2 0 423.576 3.952 50 0 HHAARP O=C1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000004784439 557597667 /nfs/dbraw/zinc/59/76/67/557597667.db2.gz QMIKRFQPQXMFLL-IBGZPJMESA-N 2 0 417.962 3.535 50 0 HHAARP O[C@H](COc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)C[NH+]1CCCCC1 ZINC000011662319 558266206 /nfs/dbraw/zinc/26/62/06/558266206.db2.gz KWDKYLRHVJNHMX-QHCPKHFHSA-N 2 0 420.557 3.592 50 0 HHAARP Cc1cccc(C[N@H+]2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCC[NH+](C)C)c1 ZINC000011788831 558276967 /nfs/dbraw/zinc/27/69/67/558276967.db2.gz XWBOYVNADMASHB-VXKWHMMOSA-N 2 0 415.578 3.547 50 0 HHAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cnc(SC)nc3)CC2)cc1 ZINC000012073309 558318349 /nfs/dbraw/zinc/31/83/49/558318349.db2.gz VRYYNHFDWTZPQS-UHFFFAOYSA-N 2 0 400.592 3.594 50 0 HHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000012313848 558377522 /nfs/dbraw/zinc/37/75/22/558377522.db2.gz OWMBFJWUVCBSJP-IBGZPJMESA-N 2 0 418.651 3.615 50 0 HHAARP c1cnn(CCC[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012429474 558404433 /nfs/dbraw/zinc/40/44/33/558404433.db2.gz BWUSSBDJXQAPKQ-AREMUKBSSA-N 2 0 422.617 3.634 50 0 HHAARP CC1CC[NH+](Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CC1 ZINC000012429662 558404537 /nfs/dbraw/zinc/40/45/37/558404537.db2.gz SOQNPHDIGLDMEX-UHFFFAOYSA-N 2 0 423.605 3.657 50 0 HHAARP COc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000014968184 558686509 /nfs/dbraw/zinc/68/65/09/558686509.db2.gz PNQUSCBWNRLACX-OAQYLSRUSA-N 2 0 420.981 3.761 50 0 HHAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CCOc2ccccc2)c1)C1CCCCC1 ZINC000014975368 558689110 /nfs/dbraw/zinc/68/91/10/558689110.db2.gz GDRYLGHEUJHSGX-QHCPKHFHSA-N 2 0 412.574 3.859 50 0 HHAARP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2cccs2)CC1 ZINC000014992185 558694839 /nfs/dbraw/zinc/69/48/39/558694839.db2.gz KLUIPVSCLPXFPS-UHFFFAOYSA-N 2 0 405.637 3.834 50 0 HHAARP COCC[N@@H+](Cc1ccc2nonc2c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000055153099 558874290 /nfs/dbraw/zinc/87/42/90/558874290.db2.gz BEGLGKOPMLMQAP-UHFFFAOYSA-N 2 0 412.509 3.723 50 0 HHAARP Cn1cccc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095499036 559081952 /nfs/dbraw/zinc/08/19/52/559081952.db2.gz VSFHVPXWODAIKA-OAQYLSRUSA-N 2 0 400.611 3.608 50 0 HHAARP COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000095511139 559083753 /nfs/dbraw/zinc/08/37/53/559083753.db2.gz UHOMWPWAOSJSPS-JOCHJYFZSA-N 2 0 402.579 3.851 50 0 HHAARP O=c1occ(C[NH+]2CCc3ccccc3C2)c([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101373435 560792820 /nfs/dbraw/zinc/79/28/20/560792820.db2.gz SLAJUOZUPUEYNH-JOCHJYFZSA-N 2 0 416.521 3.893 50 0 HHAARP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031664262 568837645 /nfs/dbraw/zinc/83/76/45/568837645.db2.gz SWXAJJMZVNFCRQ-UHFFFAOYSA-N 2 0 406.574 3.746 50 0 HHAARP C[NH+](C)[C@H](CNc1ncc(Cl)c(NC[C@@H](c2ccco2)[NH+](C)C)n1)c1ccco1 ZINC000083847773 568918616 /nfs/dbraw/zinc/91/86/16/568918616.db2.gz UDRKVVRIGCOIDX-JKSUJKDBSA-N 2 0 418.929 3.746 50 0 HHAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(-c4ccco4)cc3)C[C@H]2CCO)CC1 ZINC000104626502 569009051 /nfs/dbraw/zinc/00/90/51/569009051.db2.gz HJJOAPMOSNFVMN-XMMPIXPASA-N 2 0 411.590 3.688 50 0 HHAARP Cc1nc2ccc(N3CCC([NH+]4CCCC4)CC3)c(Cl)c2n1C1CC[NH2+]CC1 ZINC000055167954 569012890 /nfs/dbraw/zinc/01/28/90/569012890.db2.gz BZMQWZSQFCSFGN-UHFFFAOYSA-N 2 0 401.986 3.987 50 0 HHAARP Cn1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2cc(Cl)ccc21 ZINC000064669779 569078902 /nfs/dbraw/zinc/07/89/02/569078902.db2.gz LBLSVSLAODZXBX-UHFFFAOYSA-N 2 0 416.997 3.646 50 0 HHAARP CCOc1ccccc1C[NH+]1CCC(CCC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000011839114 962201176 /nfs/dbraw/zinc/20/11/76/962201176.db2.gz QHTQUOUYQCDFEH-QFIPXVFZSA-N 2 0 401.595 3.678 50 0 HHAARP Cc1ncoc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012002617 962221476 /nfs/dbraw/zinc/22/14/76/962221476.db2.gz FOHCVDDJOSPNHB-HXUWFJFHSA-N 2 0 402.583 3.566 50 0 HHAARP COc1cc(C[NH2+]Cc2cccc(F)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000015063038 962645043 /nfs/dbraw/zinc/64/50/43/962645043.db2.gz JJJBDWRRDLIKSF-QFIPXVFZSA-N 2 0 416.537 3.740 50 0 HHAARP CC(=O)N1CCC([NH+]2CCC([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)CC1 ZINC000019838034 963376242 /nfs/dbraw/zinc/37/62/42/963376242.db2.gz XZZLDMDIIXNKMF-NRFANRHFSA-N 2 0 403.998 3.885 50 0 HHAARP O[C@H](COc1ccc(Cl)cc1C[NH2+]CCc1ccccn1)C[NH+]1CCCCCC1 ZINC000023338571 963801247 /nfs/dbraw/zinc/80/12/47/963801247.db2.gz CPNVNDZHIZXZEC-QFIPXVFZSA-N 2 0 417.981 3.683 50 0 HHAARP Oc1ccc(N2CC[NH+](Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000004038377 132270010 /nfs/dbraw/zinc/27/00/10/132270010.db2.gz DQYKELPJRUXTFV-UHFFFAOYSA-N 2 0 409.574 3.969 50 0 HHAARP Cc1cccc([C@H]2C[C@H](C(=O)NCC[NH+]3CCCC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711163 557390447 /nfs/dbraw/zinc/39/04/47/557390447.db2.gz CEZSQVONUKUXAV-ZEQRLZLVSA-N 2 0 423.576 3.952 50 0 HHAARP COCC[NH+]1CCC(C[N@H+](Cc2c(C)nn(C(C)C)c2C)Cc2ccncc2)CC1 ZINC000011664985 558268471 /nfs/dbraw/zinc/26/84/71/558268471.db2.gz NCYAFOPJQMINKH-UHFFFAOYSA-N 2 0 413.610 3.836 50 0 HHAARP O[C@@H](COc1cccc(C[NH2+]CCc2ccccc2F)c1)C[NH+]1CCCCCC1 ZINC000011817362 558280622 /nfs/dbraw/zinc/28/06/22/558280622.db2.gz NAWYHMWSWNJLAR-JOCHJYFZSA-N 2 0 400.538 3.774 50 0 HHAARP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012195324 558349387 /nfs/dbraw/zinc/34/93/87/558349387.db2.gz UALKPXRSJWMGOV-OAQYLSRUSA-N 2 0 422.635 3.686 50 0 HHAARP C[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)C1 ZINC000012301127 558370886 /nfs/dbraw/zinc/37/08/86/558370886.db2.gz VWDDKSRBBGCSLF-HXUWFJFHSA-N 2 0 423.605 3.657 50 0 HHAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012301859 558371502 /nfs/dbraw/zinc/37/15/02/558371502.db2.gz JMRCPKRXVRXREH-FQEVSTJZSA-N 2 0 410.624 3.544 50 0 HHAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012314073 558377512 /nfs/dbraw/zinc/37/75/12/558377512.db2.gz FGTKHRUFFBCOQK-HSZRJFAPSA-N 2 0 412.574 3.909 50 0 HHAARP CC[NH+](CC)CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012373325 558390754 /nfs/dbraw/zinc/39/07/54/558390754.db2.gz HPDBLLPZLCALRO-DEOSSOPVSA-N 2 0 415.622 3.556 50 0 HHAARP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)cc1 ZINC000012453696 558416537 /nfs/dbraw/zinc/41/65/37/558416537.db2.gz LHDWCFGSLYSFFP-UHFFFAOYSA-N 2 0 410.558 3.868 50 0 HHAARP COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012718000 558455934 /nfs/dbraw/zinc/45/59/34/558455934.db2.gz HYJBSLAYBTZDSI-QFIPXVFZSA-N 2 0 416.606 3.979 50 0 HHAARP CC[NH+](CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CC[NH2+]C2)cc1 ZINC000028823615 558705582 /nfs/dbraw/zinc/70/55/82/558705582.db2.gz XKPJTOHUPQWSOJ-HSZRJFAPSA-N 2 0 409.574 3.584 50 0 in-vivo HHAARP C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)C1 ZINC000033274478 558763833 /nfs/dbraw/zinc/76/38/33/558763833.db2.gz YTCGALHGNPTHCB-LJQANCHMSA-N 2 0 404.624 3.511 50 0 HHAARP Cc1cc(C(=O)N(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)on1 ZINC000095504167 559082923 /nfs/dbraw/zinc/08/29/23/559082923.db2.gz USZLLKRNJAXQCU-HXUWFJFHSA-N 2 0 402.583 3.566 50 0 HHAARP O[C@H](COc1cccc(C[NH2+]Cc2ccccc2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000011950823 559268923 /nfs/dbraw/zinc/26/89/23/559268923.db2.gz NWKOQLFUZMWAGA-VWLOTQADSA-N 2 0 402.538 3.774 50 0 HHAARP O[C@@H](COc1cccc(C[NH2+]Cc2ccccc2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000011950817 559268959 /nfs/dbraw/zinc/26/89/59/559268959.db2.gz NWKOQLFUZMWAGA-RUZDIDTESA-N 2 0 402.538 3.774 50 0 HHAARP CCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000014955646 568474322 /nfs/dbraw/zinc/47/43/22/568474322.db2.gz OJMWEXKMZSBYKU-AREMUKBSSA-N 2 0 422.617 3.763 50 0 HHAARP Cc1ncc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000012446769 569382490 /nfs/dbraw/zinc/38/24/90/569382490.db2.gz PPYKAPTUZOOTHW-RUZDIDTESA-N 2 0 408.590 3.579 50 0 HHAARP Cc1ncc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000012446766 569382504 /nfs/dbraw/zinc/38/25/04/569382504.db2.gz PPYKAPTUZOOTHW-VWLOTQADSA-N 2 0 408.590 3.579 50 0 HHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012304940 962268500 /nfs/dbraw/zinc/26/85/00/962268500.db2.gz JXPDVZQAXZWLRU-QHCPKHFHSA-N 2 0 423.605 3.669 50 0 HHAARP CCc1ccc(C[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)nc1 ZINC000012318598 962270560 /nfs/dbraw/zinc/27/05/60/962270560.db2.gz IALIRZZGQASOCF-XMMPIXPASA-N 2 0 411.590 3.892 50 0 HHAARP CCc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC[C@@H](O)C[NH+](C)C(C)C)c2)cc1 ZINC000012456138 962283018 /nfs/dbraw/zinc/28/30/18/962283018.db2.gz HWWOGCYYHYHAKK-QHCPKHFHSA-N 2 0 414.590 3.970 50 0 HHAARP COCC[NH+]1CCC(C[N@H+](Cc2cnn(-c3ccccc3)c2)Cc2ccncc2)CC1 ZINC000015073291 962650134 /nfs/dbraw/zinc/65/01/34/962650134.db2.gz DUQYRLYQQOTGTB-UHFFFAOYSA-N 2 0 419.573 3.628 50 0 HHAARP COc1cc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3c3nnc(C(C)C)o3)CC2)cc(OC)c1 ZINC000257174628 970616105 /nfs/dbraw/zinc/61/61/05/970616105.db2.gz IZQDUBISSBRXDV-FQEVSTJZSA-N 2 0 414.550 3.522 50 0 HHAARP c1ccc(C[NH+]2CCC(N3CCC([NH+]4CCN(c5ccccc5)CC4)CC3)CC2)cc1 ZINC000004703389 132283809 /nfs/dbraw/zinc/28/38/09/132283809.db2.gz UJBZXBZAGHNLHF-UHFFFAOYSA-N 2 0 418.629 3.938 50 0 HHAARP CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000020542418 521426762 /nfs/dbraw/zinc/42/67/62/521426762.db2.gz BBHBFMBVGGHACH-UHFFFAOYSA-N 2 0 409.622 3.715 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000012058649 558317055 /nfs/dbraw/zinc/31/70/55/558317055.db2.gz UISZCTSTBQCREM-HSZRJFAPSA-N 2 0 408.517 3.987 50 0 HHAARP C[C@H]1CCC[N@H+](Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)C1 ZINC000012301129 558370935 /nfs/dbraw/zinc/37/09/35/558370935.db2.gz VWDDKSRBBGCSLF-FQEVSTJZSA-N 2 0 423.605 3.657 50 0 HHAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccs2)C1 ZINC000012303324 558372879 /nfs/dbraw/zinc/37/28/79/558372879.db2.gz PNKYDTRBQODHIM-IBGZPJMESA-N 2 0 415.603 3.673 50 0 HHAARP CC[N@@H+](Cc1c[nH]nc1-c1cccc(F)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012305276 558374563 /nfs/dbraw/zinc/37/45/63/558374563.db2.gz QAHXAEMFJZMPRI-UHFFFAOYSA-N 2 0 413.585 3.844 50 0 HHAARP COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)CCCC[NH+]3CCOCC3)ccc2c1 ZINC000012433366 558407330 /nfs/dbraw/zinc/40/73/30/558407330.db2.gz GIKZUYTWPBJYLA-UHFFFAOYSA-N 2 0 408.546 3.783 50 0 HHAARP C[N@@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012705331 558449503 /nfs/dbraw/zinc/44/95/03/558449503.db2.gz PIUUWOAFBCXQRE-QFIPXVFZSA-N 2 0 424.564 3.742 50 0 HHAARP CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CC[NH+](CC)CC1 ZINC000012711559 558452707 /nfs/dbraw/zinc/45/27/07/558452707.db2.gz XLWNDVDNCSQBDS-OAQYLSRUSA-N 2 0 403.586 3.661 50 0 HHAARP C[NH+](C)[C@H]1CCN(C(=O)c2cccc(OC3CC[NH+](CCc4ccccc4)CC3)c2)C1 ZINC000012758346 558460314 /nfs/dbraw/zinc/46/03/14/558460314.db2.gz MPPWLMJTSPLRDJ-QHCPKHFHSA-N 2 0 421.585 3.549 50 0 HHAARP C[C@@H](C[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1)c1ccccc1 ZINC000015066199 558709094 /nfs/dbraw/zinc/70/90/94/558709094.db2.gz LZJNBBJFEWDGHK-NRFANRHFSA-N 2 0 420.601 3.678 50 0 HHAARP O=C(CCC1CC[NH+](C2CCSCC2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015067753 558710336 /nfs/dbraw/zinc/71/03/36/558710336.db2.gz WXARCCRKFBHKAW-QFIPXVFZSA-N 2 0 415.647 3.765 50 0 HHAARP CC(C)/C=C/C[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000015077799 558717341 /nfs/dbraw/zinc/71/73/41/558717341.db2.gz YVXIUOOZOJHWKW-AATRIKPKSA-N 2 0 407.986 3.687 50 0 HHAARP COc1ccc(C(=O)N(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000039510190 558822035 /nfs/dbraw/zinc/82/20/35/558822035.db2.gz SVGRRZDGKVYINZ-HXUWFJFHSA-N 2 0 417.594 3.871 50 0 HHAARP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012879120 569014091 /nfs/dbraw/zinc/01/40/91/569014091.db2.gz ASYKZGVEODZQHS-ZEQRLZLVSA-N 2 0 406.574 3.960 50 0 HHAARP CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C[NH+]1CCCCCC1 ZINC000011843832 962201803 /nfs/dbraw/zinc/20/18/03/962201803.db2.gz IKOTXIRIHNDITM-HSZRJFAPSA-N 2 0 415.622 3.674 50 0 HHAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1CC12CCC2 ZINC000012584947 962298396 /nfs/dbraw/zinc/29/83/96/962298396.db2.gz IBXZYFDIFFYXCZ-VWLOTQADSA-N 2 0 423.645 3.836 50 0 HHAARP Cc1ccccc1-c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000039485884 966494483 /nfs/dbraw/zinc/49/44/83/966494483.db2.gz LYMRGEPJOZHWFK-RUZDIDTESA-N 2 0 407.602 3.625 50 0 HHAARP CCOc1cccc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](CCOC)CC3)C2)c1 ZINC000257192619 970624891 /nfs/dbraw/zinc/62/48/91/970624891.db2.gz QTQKTKDREHRKPS-UHFFFAOYSA-N 2 0 410.558 3.961 50 0 HHAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000012074354 558319187 /nfs/dbraw/zinc/31/91/87/558319187.db2.gz KZXLZAOUTRRLDT-SFHVURJKSA-N 2 0 423.548 3.833 50 0 HHAARP c1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)nc1 ZINC000012308507 558376760 /nfs/dbraw/zinc/37/67/60/558376760.db2.gz NJPIXUSARONFBC-SANMLTNESA-N 2 0 405.586 3.942 50 0 HHAARP C[C@H](CC(F)(F)F)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012718583 558456162 /nfs/dbraw/zinc/45/61/62/558456162.db2.gz UOLHCBJQDWUQDO-MRXNPFEDSA-N 2 0 415.500 3.504 50 0 HHAARP COc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012764352 558461669 /nfs/dbraw/zinc/46/16/69/558461669.db2.gz LFGJNSLLCFYNRJ-QFIPXVFZSA-N 2 0 416.537 3.658 50 0 HHAARP C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)C1 ZINC000015061515 558704716 /nfs/dbraw/zinc/70/47/16/558704716.db2.gz MHFWVJQEXHEIIO-LJQANCHMSA-N 2 0 419.997 3.902 50 0 HHAARP O[C@H](COc1cccc(C[NH2+]Cc2cccs2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000015065011 558707775 /nfs/dbraw/zinc/70/77/75/558707775.db2.gz ZXVDSILFEFGMLR-QFIPXVFZSA-N 2 0 408.567 3.836 50 0 HHAARP COc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000015078099 568750062 /nfs/dbraw/zinc/75/00/62/568750062.db2.gz QMTWSANKOHZGCJ-NRFANRHFSA-N 2 0 418.965 3.516 50 0 HHAARP CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]CCc3ccc(C)cc3)s2)CC1 ZINC000007002092 569051749 /nfs/dbraw/zinc/05/17/49/569051749.db2.gz NUHVHNCIGNLJOG-UHFFFAOYSA-N 2 0 424.618 3.502 50 0 HHAARP C[C@H](CNC(=O)C[NH+]1CCCCC1)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000011783224 962188778 /nfs/dbraw/zinc/18/87/78/962188778.db2.gz MFHYMMHOTKVIML-LJQANCHMSA-N 2 0 415.603 3.750 50 0 HHAARP Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCC1CC[NH+](C3CCCC3)CC1)C[C@H](C)O2 ZINC000011788671 962190270 /nfs/dbraw/zinc/19/02/70/962190270.db2.gz KLDQRNZVWFVSJI-FQEVSTJZSA-N 2 0 413.606 3.739 50 0 HHAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](Cc3ccncc3)C[C@H]3CCCO3)CC1)C2 ZINC000011938490 962212040 /nfs/dbraw/zinc/21/20/40/962212040.db2.gz RUUAFROVJDGKFT-AREMUKBSSA-N 2 0 405.586 3.942 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000012027889 962225201 /nfs/dbraw/zinc/22/52/01/962225201.db2.gz HAPBVQXNBMUOIG-MRXNPFEDSA-N 2 0 410.967 3.535 50 0 HHAARP CCc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC[C@H](O)C[NH+](C)C(C)C)c2)cc1 ZINC000012456141 962282542 /nfs/dbraw/zinc/28/25/42/962282542.db2.gz HWWOGCYYHYHAKK-HSZRJFAPSA-N 2 0 414.590 3.970 50 0 HHAARP O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1C[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000012056828 558316077 /nfs/dbraw/zinc/31/60/77/558316077.db2.gz CDJVABFBWVRXFK-LADGPHEKSA-N 2 0 424.564 3.919 50 0 HHAARP O=C(NCCc1ccco1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012076748 558320132 /nfs/dbraw/zinc/32/01/32/558320132.db2.gz IAXZVGJYUMQEDB-UHFFFAOYSA-N 2 0 423.601 3.748 50 0 HHAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC ZINC000012111741 558326118 /nfs/dbraw/zinc/32/61/18/558326118.db2.gz OPKHHKIIBUOGNU-NRFANRHFSA-N 2 0 404.526 3.514 50 0 HHAARP Cc1occc1C(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012386567 558395364 /nfs/dbraw/zinc/39/53/64/558395364.db2.gz VWDFLBSIRMDOTQ-UHFFFAOYSA-N 2 0 423.601 3.861 50 0 HHAARP CC[NH+](CC)Cc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)ccc1OC ZINC000023360974 558552224 /nfs/dbraw/zinc/55/22/24/558552224.db2.gz VKLIRTDFXHTEOX-DEOSSOPVSA-N 2 0 417.638 3.738 50 0 HHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc(C(C)C)cs2)CC1 ZINC000014965771 558685651 /nfs/dbraw/zinc/68/56/51/558685651.db2.gz WHOYUNDZARWAFD-LJQANCHMSA-N 2 0 406.640 3.859 50 0 HHAARP Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000067629566 558990236 /nfs/dbraw/zinc/99/02/36/558990236.db2.gz MWUMUDSFDKTTAU-UHFFFAOYSA-N 2 0 406.574 3.598 50 0 HHAARP COc1cc(C[N@@H+]2CCCCC23CC3)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095505844 559083225 /nfs/dbraw/zinc/08/32/25/559083225.db2.gz KFLNTHHBPLROGZ-OAQYLSRUSA-N 2 0 402.579 3.829 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011950599 559268967 /nfs/dbraw/zinc/26/89/67/559268967.db2.gz USENGLFJZIJEIU-OAQYLSRUSA-N 2 0 416.562 3.891 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000011956292 559269235 /nfs/dbraw/zinc/26/92/35/559269235.db2.gz FBRJMWFDUKZIJT-RUZDIDTESA-N 2 0 404.554 3.891 50 0 HHAARP CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)c3ccc(Br)cc3)ccn2)CC1 ZINC000095407531 568606347 /nfs/dbraw/zinc/60/63/47/568606347.db2.gz CUWYQBCWIDQGFL-INIZCTEOSA-N 2 0 403.368 3.837 50 0 HHAARP C[NH+]1CCC(N2CC[N@H+](Cc3cccc4c5ccccc5oc43)C[C@H]2CCO)CC1 ZINC000104330018 569008358 /nfs/dbraw/zinc/00/83/58/569008358.db2.gz YWLRCCWAIUOKQH-OAQYLSRUSA-N 2 0 407.558 3.549 50 0 HHAARP COC1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H](O)C[NH+]2CCCCCC2)CC1 ZINC000012373515 962273819 /nfs/dbraw/zinc/27/38/19/962273819.db2.gz DIMJSCUULTYOQA-FQEVSTJZSA-N 2 0 410.986 3.567 50 0 HHAARP COc1ccc(C[NH2+]CCCC2CCCC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012432017 962279272 /nfs/dbraw/zinc/27/92/72/962279272.db2.gz QUKQTYQBXIPUQW-JOCHJYFZSA-N 2 0 404.595 3.981 50 0 HHAARP COc1ccccc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000023620148 963864141 /nfs/dbraw/zinc/86/41/41/963864141.db2.gz LGOUGMRVHMMLQE-DEOSSOPVSA-N 2 0 420.553 3.857 50 0 HHAARP COc1cc(C[NH2+]CCCSC)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011765045 558273926 /nfs/dbraw/zinc/27/39/26/558273926.db2.gz PHVTZTIUKLDUSG-HXUWFJFHSA-N 2 0 410.624 3.542 50 0 HHAARP COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012056943 558316423 /nfs/dbraw/zinc/31/64/23/558316423.db2.gz QRPWIRVIBQAOGJ-HSZRJFAPSA-N 2 0 424.585 3.845 50 0 HHAARP CC[NH+](CC)CCN(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012201997 558351717 /nfs/dbraw/zinc/35/17/17/558351717.db2.gz SKZFFJATXLOGNG-UHFFFAOYSA-N 2 0 424.589 3.539 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012203817 558352000 /nfs/dbraw/zinc/35/20/00/558352000.db2.gz ZTJGEFFPYJNTPI-LJQANCHMSA-N 2 0 404.576 3.581 50 0 HHAARP c1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)nc1 ZINC000012308506 558376746 /nfs/dbraw/zinc/37/67/46/558376746.db2.gz NJPIXUSARONFBC-AREMUKBSSA-N 2 0 405.586 3.942 50 0 HHAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)c1ccoc1 ZINC000012385627 558394525 /nfs/dbraw/zinc/39/45/25/558394525.db2.gz OORKSHWEFHLLGH-UHFFFAOYSA-N 2 0 409.574 3.553 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012579763 558432024 /nfs/dbraw/zinc/43/20/24/558432024.db2.gz SUJQNQYZCKUNNR-OAQYLSRUSA-N 2 0 416.562 3.892 50 0 HHAARP O=C([C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014745328 558668780 /nfs/dbraw/zinc/66/87/80/558668780.db2.gz WYKRONCHOQKCFV-RCZVLFRGSA-N 2 0 405.586 3.996 50 0 HHAARP CC(C)Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000039442938 558821278 /nfs/dbraw/zinc/82/12/78/558821278.db2.gz ZJXWRTFABUGCHU-RUZDIDTESA-N 2 0 401.639 3.627 50 0 HHAARP Cc1ocnc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095499739 559082119 /nfs/dbraw/zinc/08/21/19/559082119.db2.gz RNQDULZYYJXOJV-HXUWFJFHSA-N 2 0 402.583 3.566 50 0 HHAARP COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000015062378 568749018 /nfs/dbraw/zinc/74/90/18/568749018.db2.gz XFXPPJZKEIHVSW-QHCPKHFHSA-N 2 0 412.574 3.943 50 0 HHAARP CC[NH+]1CCC([NH2+]Cc2ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)CC1 ZINC000012525034 568842696 /nfs/dbraw/zinc/84/26/96/568842696.db2.gz FTNKBNWTKGXAQC-UHFFFAOYSA-N 2 0 419.573 3.802 50 0 HHAARP COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012708605 962315503 /nfs/dbraw/zinc/31/55/03/962315503.db2.gz DZGLPGMESOPWQV-KCSYZCLISA-N 2 0 416.606 3.689 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(Cl)cc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012713411 962317062 /nfs/dbraw/zinc/31/70/62/962317062.db2.gz SKDABFLQZRSZOX-HXUWFJFHSA-N 2 0 406.954 3.718 50 0 HHAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CCc2ccc(O)cc2)c1)C1CCCCC1 ZINC000014980862 962616970 /nfs/dbraw/zinc/61/69/70/962616970.db2.gz WWYPBZHLMBHBIR-XMMPIXPASA-N 2 0 412.574 3.729 50 0 HHAARP c1c2c(cc3nc(N4CC[N@@H+]5CCC[C@H]5C4)c(C[NH2+]CC4CCCCC4)cc13)OCO2 ZINC000244716282 970468706 /nfs/dbraw/zinc/46/87/06/970468706.db2.gz LMDPGKZJXXVFKN-NRFANRHFSA-N 2 0 422.573 3.918 50 0 HHAARP CCC[NH+]1CCN(C(=O)CC[N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)CC1 ZINC000299771797 970722458 /nfs/dbraw/zinc/72/24/58/970722458.db2.gz UXGBKBVMEGVKNJ-DEOSSOPVSA-N 2 0 407.558 3.567 50 0 HHAARP Cc1cccc([C@@H]2C[C@@H](C(=O)NCC[NH+]3CCCC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711164 557390409 /nfs/dbraw/zinc/39/04/09/557390409.db2.gz CEZSQVONUKUXAV-DNQXCXABSA-N 2 0 423.576 3.952 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011945938 558302130 /nfs/dbraw/zinc/30/21/30/558302130.db2.gz JGOIAWXIRMNAPW-HXUWFJFHSA-N 2 0 404.526 3.512 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000012058651 558317027 /nfs/dbraw/zinc/31/70/27/558317027.db2.gz UISZCTSTBQCREM-QHCPKHFHSA-N 2 0 408.517 3.987 50 0 HHAARP Cc1cc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)o1 ZINC000012314479 558378022 /nfs/dbraw/zinc/37/80/22/558378022.db2.gz KITZLUXXKRQRIF-FQEVSTJZSA-N 2 0 415.553 3.952 50 0 HHAARP CSc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012468875 558421277 /nfs/dbraw/zinc/42/12/77/558421277.db2.gz FISVPSUZSJBHMJ-LJQANCHMSA-N 2 0 403.636 3.953 50 0 HHAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000012574395 558430464 /nfs/dbraw/zinc/43/04/64/558430464.db2.gz YVPCCGKLTFHSNH-QGZVFWFLSA-N 2 0 407.986 3.590 50 0 HHAARP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000023908215 558581138 /nfs/dbraw/zinc/58/11/38/558581138.db2.gz CRRUKOOHCCHEID-UHFFFAOYSA-N 2 0 418.541 3.884 50 0 HHAARP COCC[N@@H+](Cc1cccc2nonc21)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000015075869 558716350 /nfs/dbraw/zinc/71/63/50/558716350.db2.gz VESQZAWFLPMYML-UHFFFAOYSA-N 2 0 424.545 3.592 50 0 HHAARP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183311 558875241 /nfs/dbraw/zinc/87/52/41/558875241.db2.gz QISPJOWAWNJVIT-HSZRJFAPSA-N 2 0 420.601 3.911 50 0 HHAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000014184889 559155131 /nfs/dbraw/zinc/15/51/31/559155131.db2.gz JQGUKSXXILITPF-GOSISDBHSA-N 2 0 409.530 3.561 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012297987 962266376 /nfs/dbraw/zinc/26/63/76/962266376.db2.gz HCGCPEARIYQGAH-INIZCTEOSA-N 2 0 410.967 3.535 50 0 HHAARP O[C@@H](COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2)C[NH+]1CCSCC1 ZINC000012705397 962316227 /nfs/dbraw/zinc/31/62/27/962316227.db2.gz CCUVHGMOYRDOLW-GPUVRGFBSA-N 2 0 416.631 3.534 50 0 HHAARP COCC[N@H+](Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1)C(C)C ZINC000012750316 962324695 /nfs/dbraw/zinc/32/46/95/962324695.db2.gz XGJBQMPVGGEYGA-QFIPXVFZSA-N 2 0 422.610 3.558 50 0 HHAARP c1cnn(CCCN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000019222557 963357734 /nfs/dbraw/zinc/35/77/34/963357734.db2.gz FPTGUDZVJOSFFF-HSZRJFAPSA-N 2 0 401.643 3.716 50 0 HHAARP Cc1ccccc1-c1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000019339684 963361882 /nfs/dbraw/zinc/36/18/82/963361882.db2.gz IPXJAGURLCJLLB-VWLOTQADSA-N 2 0 407.602 3.625 50 0 HHAARP Cc1ccccc1C[N@@H+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CCO ZINC000104552584 969202555 /nfs/dbraw/zinc/20/25/55/969202555.db2.gz UNZKDBYGEMLSCD-AREMUKBSSA-N 2 0 407.602 3.528 50 0 HHAARP COCC1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000011816718 558280155 /nfs/dbraw/zinc/28/01/55/558280155.db2.gz NFGVGRBYNUIFKA-QHCPKHFHSA-N 2 0 404.595 3.549 50 0 HHAARP O[C@H](COc1cccc(C[NH2+]CCc2ccccc2F)c1)C[NH+]1CCCCCC1 ZINC000011817363 558280619 /nfs/dbraw/zinc/28/06/19/558280619.db2.gz NAWYHMWSWNJLAR-QFIPXVFZSA-N 2 0 400.538 3.774 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000012076203 558319890 /nfs/dbraw/zinc/31/98/90/558319890.db2.gz XJIXUZMUXVQFHE-XMMPIXPASA-N 2 0 408.517 3.987 50 0 HHAARP COc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012076541 558320077 /nfs/dbraw/zinc/32/00/77/558320077.db2.gz UVBRARIDQWBIDI-OAQYLSRUSA-N 2 0 404.526 3.512 50 0 HHAARP CC[NH+]1CCC(N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020212345 558347773 /nfs/dbraw/zinc/34/77/73/558347773.db2.gz RUGMAWYFZRANSR-QFIPXVFZSA-N 2 0 424.555 3.776 50 0 HHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000012443215 558412987 /nfs/dbraw/zinc/41/29/87/558412987.db2.gz FQQSDDHJRBDQDC-OJZQOFKYSA-N 2 0 401.570 3.932 50 0 HHAARP C[NH+](C)C[C@@H](O)COc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000012752256 558459277 /nfs/dbraw/zinc/45/92/77/558459277.db2.gz UGRASIXFNMMXRR-HSZRJFAPSA-N 2 0 400.538 3.582 50 0 HHAARP Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)o1 ZINC000012754127 558459555 /nfs/dbraw/zinc/45/95/55/558459555.db2.gz YCTQFMUEJRNUJU-UHFFFAOYSA-N 2 0 419.953 3.576 50 0 HHAARP CC(C)(C)C[N@@H+]1CCOc2ccc(C[NH+]3CCC(O)(c4cccnc4)CC3)cc2C1 ZINC000011913027 559267036 /nfs/dbraw/zinc/26/70/36/559267036.db2.gz VSIOTROGKIMTDH-UHFFFAOYSA-N 2 0 409.574 3.806 50 0 HHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccc(OC)cc2)CC1 ZINC000012585309 568866369 /nfs/dbraw/zinc/86/63/69/568866369.db2.gz QRQHFTHLYMULII-FIYNHDKVSA-N 2 0 413.606 3.801 50 0 HHAARP Cc1c[nH]c(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000012204017 569367317 /nfs/dbraw/zinc/36/73/17/569367317.db2.gz AUFSXDGTIVIQSP-XMMPIXPASA-N 2 0 408.590 3.579 50 0 HHAARP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1OCc1ccccc1 ZINC000004987603 960635864 /nfs/dbraw/zinc/63/58/64/960635864.db2.gz NXCZYQBUWOWISX-UHFFFAOYSA-N 2 0 413.606 3.980 50 0 HHAARP COc1cc(C[NH2+]Cc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011661366 962156881 /nfs/dbraw/zinc/15/68/81/962156881.db2.gz KHKCZOZWMQMIMI-QHCPKHFHSA-N 2 0 412.574 3.991 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012049268 962228767 /nfs/dbraw/zinc/22/87/67/962228767.db2.gz HPXBJUYQVPSMBS-FQEVSTJZSA-N 2 0 402.535 3.502 50 0 HHAARP COc1cc(CN2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(C)C ZINC000257176710 970617293 /nfs/dbraw/zinc/61/72/93/970617293.db2.gz UMWFZIVXEMFVKK-JYFHCDHNSA-N 2 0 424.585 3.799 50 0 HHAARP COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000020540988 524071029 /nfs/dbraw/zinc/07/10/29/524071029.db2.gz HEUKXOKVPPEXSL-OAQYLSRUSA-N 2 0 420.981 3.761 50 0 HHAARP Cc1cccc([C@@H]2C[C@H](C(=O)NCC[NH+]3CCCC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711162 557390316 /nfs/dbraw/zinc/39/03/16/557390316.db2.gz CEZSQVONUKUXAV-RPWUZVMVSA-N 2 0 423.576 3.952 50 0 HHAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2nc3ccccc3n2C)CC1 ZINC000011664197 558267846 /nfs/dbraw/zinc/26/78/46/558267846.db2.gz ADARXOBYNRIPBP-UHFFFAOYSA-N 2 0 406.574 3.968 50 0 HHAARP CC[NH+](CC)CCNC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012588486 558434881 /nfs/dbraw/zinc/43/48/81/558434881.db2.gz FDFOWLDUZSPADC-UHFFFAOYSA-N 2 0 417.594 3.553 50 0 HHAARP COc1ccc(CC[N@@H+](Cc2cnc(N(C)C)s2)CC2CC[NH+](C)CC2)cc1 ZINC000012594371 558436928 /nfs/dbraw/zinc/43/69/28/558436928.db2.gz ZQKHPHNNJBPEDM-UHFFFAOYSA-N 2 0 402.608 3.604 50 0 HHAARP C[C@@H](CC(F)(F)F)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012718582 558456205 /nfs/dbraw/zinc/45/62/05/558456205.db2.gz UOLHCBJQDWUQDO-INIZCTEOSA-N 2 0 415.500 3.504 50 0 HHAARP C[C@H](C[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1)c1ccccc1 ZINC000015066200 558709226 /nfs/dbraw/zinc/70/92/26/558709226.db2.gz LZJNBBJFEWDGHK-OAQYLSRUSA-N 2 0 420.601 3.678 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011765924 962184126 /nfs/dbraw/zinc/18/41/26/962184126.db2.gz RKJXYMHPWXPUOK-FQEVSTJZSA-N 2 0 406.954 3.718 50 0 HHAARP COCC[NH+]1CCC(C[N@H+](C/C=C/c2ccc(OC)cc2)Cc2ccncc2)CC1 ZINC000012075408 962234595 /nfs/dbraw/zinc/23/45/95/962234595.db2.gz AYFXAWPSGTXAOL-ONEGZZNKSA-N 2 0 409.574 3.964 50 0 HHAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccsc2)C1 ZINC000012582390 962296104 /nfs/dbraw/zinc/29/61/04/962296104.db2.gz UUEVGVGVFXYAFB-IBGZPJMESA-N 2 0 415.603 3.673 50 0 HHAARP COCC[N@H+](Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1)C(C)C ZINC000012750320 962324802 /nfs/dbraw/zinc/32/48/02/962324802.db2.gz XGJBQMPVGGEYGA-JOCHJYFZSA-N 2 0 422.610 3.558 50 0 HHAARP O[C@@H](COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000020454941 527662539 /nfs/dbraw/zinc/66/25/39/527662539.db2.gz KJMWVTLTNPQBQU-JOCHJYFZSA-N 2 0 402.966 3.898 50 0 HHAARP COc1cc(C[NH2+]CCCSC)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011765037 558273852 /nfs/dbraw/zinc/27/38/52/558273852.db2.gz PHVTZTIUKLDUSG-FQEVSTJZSA-N 2 0 410.624 3.542 50 0 HHAARP c1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ncccn2)c1 ZINC000011840334 558286422 /nfs/dbraw/zinc/28/64/22/558286422.db2.gz KBWBWPLIROVYAH-XMMPIXPASA-N 2 0 423.605 3.903 50 0 HHAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCOc1ccccc1)C1CCCCC1 ZINC000012074734 558319204 /nfs/dbraw/zinc/31/92/04/558319204.db2.gz QIIBTCDXMXLILI-HSZRJFAPSA-N 2 0 412.574 3.859 50 0 HHAARP COc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012764358 558461690 /nfs/dbraw/zinc/46/16/90/558461690.db2.gz LFGJNSLLCFYNRJ-JOCHJYFZSA-N 2 0 416.537 3.658 50 0 HHAARP O[C@@H](COc1cccc(C[NH2+]Cc2cccs2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000015065010 558707719 /nfs/dbraw/zinc/70/77/19/558707719.db2.gz ZXVDSILFEFGMLR-JOCHJYFZSA-N 2 0 408.567 3.836 50 0 HHAARP O=C(CCC1CC[NH+](C2CCSCC2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015067751 558710383 /nfs/dbraw/zinc/71/03/83/558710383.db2.gz WXARCCRKFBHKAW-JOCHJYFZSA-N 2 0 415.647 3.765 50 0 HHAARP CN(CCC[NH+]1CCCC1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000055271392 558878168 /nfs/dbraw/zinc/87/81/68/558878168.db2.gz AJFIPVCRFVAVKU-DEOSSOPVSA-N 2 0 417.638 3.609 50 0 HHAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000014184890 559155119 /nfs/dbraw/zinc/15/51/19/559155119.db2.gz JQGUKSXXILITPF-SFHVURJKSA-N 2 0 409.530 3.561 50 0 HHAARP O=C(C[NH+]1CCCCCC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057315396 568826697 /nfs/dbraw/zinc/82/66/97/568826697.db2.gz IDVQHFKAMOZZAE-UHFFFAOYSA-N 2 0 406.574 3.823 50 0 HHAARP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012744822 568930524 /nfs/dbraw/zinc/93/05/24/568930524.db2.gz POPOTNAWWUZTCB-HSZRJFAPSA-N 2 0 412.574 3.909 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011814815 962197952 /nfs/dbraw/zinc/19/79/52/962197952.db2.gz SEVBAMMHJRMSPD-INIZCTEOSA-N 2 0 410.967 3.535 50 0 HHAARP OCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000011838255 962201117 /nfs/dbraw/zinc/20/11/17/962201117.db2.gz MZSSBGDOZFSBKF-DEOSSOPVSA-N 2 0 424.585 3.632 50 0 HHAARP CCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000011874190 962204226 /nfs/dbraw/zinc/20/42/26/962204226.db2.gz AXQVFRGGNKBKRR-QHCPKHFHSA-N 2 0 414.569 3.935 50 0 HHAARP CCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000011874191 962204924 /nfs/dbraw/zinc/20/49/24/962204924.db2.gz AXQVFRGGNKBKRR-HSZRJFAPSA-N 2 0 414.569 3.935 50 0 HHAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2cccc3cnccc32)CC1 ZINC000012318274 962270905 /nfs/dbraw/zinc/27/09/05/962270905.db2.gz QOLUUUSYNMADFB-UHFFFAOYSA-N 2 0 404.558 3.990 50 0 HHAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC ZINC000012458774 962284343 /nfs/dbraw/zinc/28/43/43/962284343.db2.gz STHSWXSNKDMFNY-HXUWFJFHSA-N 2 0 404.526 3.514 50 0 HHAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000012759282 962325600 /nfs/dbraw/zinc/32/56/00/962325600.db2.gz PEKMJMULWVAANE-UHFFFAOYSA-N 2 0 407.986 3.807 50 0 HHAARP CC[N@@H+]1CCC[C@@H]1CN(Cc1nc(C(C)C)cs1)CC1CC[NH+](CCOC)CC1 ZINC000020209900 963385279 /nfs/dbraw/zinc/38/52/79/963385279.db2.gz YFXCJFMENICNIV-OAQYLSRUSA-N 2 0 422.683 3.911 50 0 HHAARP Cc1ccccc1-c1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000039455132 966492050 /nfs/dbraw/zinc/49/20/50/966492050.db2.gz IPXJAGURLCJLLB-RUZDIDTESA-N 2 0 407.602 3.625 50 0 HHAARP CN1CCC([N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000020540193 523767544 /nfs/dbraw/zinc/76/75/44/523767544.db2.gz UUNYSQSATRMLON-QHCPKHFHSA-N 2 0 403.586 3.613 50 0 HHAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 ZINC000020541706 526537126 /nfs/dbraw/zinc/53/71/26/526537126.db2.gz IOCXSNIZVMPXIC-QHCPKHFHSA-N 2 0 409.618 3.733 50 0 HHAARP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)C1 ZINC000011817139 558280435 /nfs/dbraw/zinc/28/04/35/558280435.db2.gz RIPMJQGFORJIGI-JOCHJYFZSA-N 2 0 403.586 3.659 50 0 HHAARP COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012056940 558316112 /nfs/dbraw/zinc/31/61/12/558316112.db2.gz QRPWIRVIBQAOGJ-QHCPKHFHSA-N 2 0 424.585 3.845 50 0 HHAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCOc1ccccc1)C1CCCCC1 ZINC000012074737 558319159 /nfs/dbraw/zinc/31/91/59/558319159.db2.gz QIIBTCDXMXLILI-QHCPKHFHSA-N 2 0 412.574 3.859 50 0 HHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000012443212 558412960 /nfs/dbraw/zinc/41/29/60/558412960.db2.gz FQQSDDHJRBDQDC-UUCGHWEQSA-N 2 0 401.570 3.932 50 0 HHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)/C=C/c1ccco1 ZINC000014969245 558686856 /nfs/dbraw/zinc/68/68/56/558686856.db2.gz BVOGBQUZTUVJLX-SGWGQVFISA-N 2 0 413.537 3.734 50 0 HHAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CCOc2ccccc2)c1)C1CCCCC1 ZINC000014975364 558689076 /nfs/dbraw/zinc/68/90/76/558689076.db2.gz GDRYLGHEUJHSGX-HSZRJFAPSA-N 2 0 412.574 3.859 50 0 HHAARP Cc1cc(N2CCCN(C(=O)[C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)CC2)cc[nH+]1 ZINC000299797876 568876437 /nfs/dbraw/zinc/87/64/37/568876437.db2.gz PCHMLXVHPRRZFI-VXNXHJTFSA-N 2 0 404.558 3.654 50 0 HHAARP CC[NH+](CC)CC(=O)Nc1ccc(-c2ccc(NC(=O)C[NH+](CC)CC)cc2)cc1 ZINC000004697241 568928213 /nfs/dbraw/zinc/92/82/13/568928213.db2.gz GWPSFBCYDGRIRY-UHFFFAOYSA-N 2 0 410.562 3.914 50 0 HHAARP OCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000011838256 962201366 /nfs/dbraw/zinc/20/13/66/962201366.db2.gz MZSSBGDOZFSBKF-XMMPIXPASA-N 2 0 424.585 3.632 50 0 HHAARP c1c2c(cc3nc(N4CC[N@@H+]5CCC[C@@H]5C4)c(C[NH2+]CC4CCCCC4)cc13)OCO2 ZINC000014879684 962597462 /nfs/dbraw/zinc/59/74/62/962597462.db2.gz LMDPGKZJXXVFKN-OAQYLSRUSA-N 2 0 422.573 3.918 50 0 HHAARP CCC[NH+]1CCC([N@@H+]2CCC[C@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000014973858 962614408 /nfs/dbraw/zinc/61/44/08/962614408.db2.gz BWZKDSSDGKLBLY-XMMPIXPASA-N 2 0 402.579 3.975 50 0 HHAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)C1CCCC1 ZINC000015075055 962649675 /nfs/dbraw/zinc/64/96/75/962649675.db2.gz BFBRMVPPAZWVNF-UHFFFAOYSA-N 2 0 411.634 3.836 50 0 HHAARP COc1cc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3c3nnc(C(C)C)o3)CC2)cc(OC)c1 ZINC000257174629 970615686 /nfs/dbraw/zinc/61/56/86/970615686.db2.gz IZQDUBISSBRXDV-HXUWFJFHSA-N 2 0 414.550 3.522 50 0 HHAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000012474517 558422577 /nfs/dbraw/zinc/42/25/77/558422577.db2.gz XJDQTFRULAGXTM-UHFFFAOYSA-N 2 0 401.595 3.678 50 0 HHAARP C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)C1 ZINC000015061517 558704777 /nfs/dbraw/zinc/70/47/77/558704777.db2.gz MHFWVJQEXHEIIO-IBGZPJMESA-N 2 0 419.997 3.902 50 0 HHAARP CN(CCC[NH+]1CCCC1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000055271390 558878107 /nfs/dbraw/zinc/87/81/07/558878107.db2.gz AJFIPVCRFVAVKU-XMMPIXPASA-N 2 0 417.638 3.609 50 0 HHAARP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000082108167 559038622 /nfs/dbraw/zinc/03/86/22/559038622.db2.gz HVAVMBBOKONSHE-QFIPXVFZSA-N 2 0 412.622 3.845 50 0 HHAARP CN(Cc1nccs1)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000011840625 559261528 /nfs/dbraw/zinc/26/15/28/559261528.db2.gz BXUJOENJXXTWIB-QFIPXVFZSA-N 2 0 423.582 3.573 50 0 HHAARP CCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000014955642 568474325 /nfs/dbraw/zinc/47/43/25/568474325.db2.gz OJMWEXKMZSBYKU-SANMLTNESA-N 2 0 422.617 3.763 50 0 HHAARP CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)c3ccc(Br)cc3)ccn2)CC1 ZINC000095407532 568606260 /nfs/dbraw/zinc/60/62/60/568606260.db2.gz CUWYQBCWIDQGFL-MRXNPFEDSA-N 2 0 403.368 3.837 50 0 HHAARP CC[NH+](CC)CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000078903166 569421573 /nfs/dbraw/zinc/42/15/73/569421573.db2.gz GUMYGQOZXXCVPF-UHFFFAOYSA-N 2 0 424.589 3.558 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011765933 962183862 /nfs/dbraw/zinc/18/38/62/962183862.db2.gz RKJXYMHPWXPUOK-HXUWFJFHSA-N 2 0 406.954 3.718 50 0 HHAARP COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011817823 962198094 /nfs/dbraw/zinc/19/80/94/962198094.db2.gz NIXBEORJQDKTRN-HSZRJFAPSA-N 2 0 412.574 3.861 50 0 HHAARP CCc1ccc(C[N@@H+](C)Cc2ccc(OC[C@H](O)C[NH+](CC)CC)c(OC)c2)cc1 ZINC000012571305 962293556 /nfs/dbraw/zinc/29/35/56/962293556.db2.gz FOCDSYQEIKKVDU-HSZRJFAPSA-N 2 0 414.590 3.971 50 0 HHAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccsc2)C1 ZINC000012582383 962295973 /nfs/dbraw/zinc/29/59/73/962295973.db2.gz UUEVGVGVFXYAFB-LJQANCHMSA-N 2 0 415.603 3.673 50 0 HHAARP O[C@H](COc1cccc(C[NH2+]C(C2CC2)C2CC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000012702264 962314569 /nfs/dbraw/zinc/31/45/69/962314569.db2.gz BILKMLFBRLYXNU-DEOSSOPVSA-N 2 0 406.570 3.763 50 0 HHAARP COc1cc(C[NH2+]Cc2cccc(F)c2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000015063040 962645383 /nfs/dbraw/zinc/64/53/83/962645383.db2.gz JJJBDWRRDLIKSF-JOCHJYFZSA-N 2 0 416.537 3.740 50 0 HHAARP Cc1cccnc1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023130612 963772850 /nfs/dbraw/zinc/77/28/50/963772850.db2.gz PIEONQZCNRAUHR-QHCPKHFHSA-N 2 0 411.590 3.727 50 0 HHAARP O[C@@H](COc1ccc(Cl)cc1C[NH2+]CCc1ccccn1)C[NH+]1CCCCCC1 ZINC000023338569 963801055 /nfs/dbraw/zinc/80/10/55/963801055.db2.gz CPNVNDZHIZXZEC-JOCHJYFZSA-N 2 0 417.981 3.683 50 0 HHAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1)C1CC[NH+](C)CC1 ZINC000011665857 558268867 /nfs/dbraw/zinc/26/88/67/558268867.db2.gz JFHQNXCPLZSZCW-HXUWFJFHSA-N 2 0 408.590 3.780 50 0 HHAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](Cc3cccnc3)C[C@H]3CCCO3)CC1)C2 ZINC000011938287 558301798 /nfs/dbraw/zinc/30/17/98/558301798.db2.gz RNYWXEXKIMCPHW-AREMUKBSSA-N 2 0 405.586 3.942 50 0 HHAARP CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000012056922 558316189 /nfs/dbraw/zinc/31/61/89/558316189.db2.gz OUXACKJYKVAILL-QFIPXVFZSA-N 2 0 403.586 3.661 50 0 HHAARP C[N@@H+](Cc1ccc(OCCO)cc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012298812 558368752 /nfs/dbraw/zinc/36/87/52/558368752.db2.gz ZTIZTEFORDRNPZ-UHFFFAOYSA-N 2 0 400.538 3.583 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012439987 558411499 /nfs/dbraw/zinc/41/14/99/558411499.db2.gz PZAXMNMVPWWFCV-INIZCTEOSA-N 2 0 412.983 3.780 50 0 HHAARP O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000012755065 558459925 /nfs/dbraw/zinc/45/99/25/558459925.db2.gz VAZLHZAFMINZAC-QHCPKHFHSA-N 2 0 409.574 3.705 50 0 HHAARP CC(C)Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000022925830 558523098 /nfs/dbraw/zinc/52/30/98/558523098.db2.gz ZJXWRTFABUGCHU-VWLOTQADSA-N 2 0 401.639 3.627 50 0 HHAARP CC[N@@H+](Cc1cc2c(cc1Cl)OCO2)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000019334850 558869704 /nfs/dbraw/zinc/86/97/04/558869704.db2.gz BZMQZDIEOLKOIP-UHFFFAOYSA-N 2 0 407.986 3.697 50 0 HHAARP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)c1 ZINC000058018624 558895664 /nfs/dbraw/zinc/89/56/64/558895664.db2.gz MUSDWFRQJXKIFG-XMMPIXPASA-N 2 0 414.638 3.524 50 0 HHAARP COc1cc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc(OC)c1O ZINC000011775242 559259006 /nfs/dbraw/zinc/25/90/06/559259006.db2.gz IVQDVNNWMNDBCF-UHFFFAOYSA-N 2 0 416.537 3.935 50 0 HHAARP O=c1oc2ccccc2c(N2CC[NH+](Cc3ccccc3)CC2)c1C[NH+]1CCCC1 ZINC000020177668 568592836 /nfs/dbraw/zinc/59/28/36/568592836.db2.gz VKLLMHIIDXXCGP-UHFFFAOYSA-N 2 0 403.526 3.711 50 0 HHAARP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818074 569101152 /nfs/dbraw/zinc/10/11/52/569101152.db2.gz LRVXBOVWYXXPLR-UHFFFAOYSA-N 2 0 407.533 3.739 50 0 HHAARP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000079496006 569432877 /nfs/dbraw/zinc/43/28/77/569432877.db2.gz QCIGWHXBUZXXDG-UHFFFAOYSA-N 2 0 423.601 3.922 50 0 HHAARP Cc1ncoc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012002629 962221020 /nfs/dbraw/zinc/22/10/20/962221020.db2.gz FOHCVDDJOSPNHB-FQEVSTJZSA-N 2 0 402.583 3.566 50 0 HHAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1)C1CC[NH+](C)CC1 ZINC000012705284 962316065 /nfs/dbraw/zinc/31/60/65/962316065.db2.gz JCLCDNGOJFPAIX-SFHVURJKSA-N 2 0 423.548 3.833 50 0 HHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000012717002 962320131 /nfs/dbraw/zinc/32/01/31/962320131.db2.gz FSHANVCYOABKDC-HXUWFJFHSA-N 2 0 423.548 3.881 50 0 HHAARP Cc1cccnc1CC[NH2+]Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023130608 963772479 /nfs/dbraw/zinc/77/24/79/963772479.db2.gz PIEONQZCNRAUHR-HSZRJFAPSA-N 2 0 411.590 3.727 50 0 HHAARP COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000020540985 524071018 /nfs/dbraw/zinc/07/10/18/524071018.db2.gz HEUKXOKVPPEXSL-NRFANRHFSA-N 2 0 420.981 3.761 50 0 HHAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1OC ZINC000011771520 558274386 /nfs/dbraw/zinc/27/43/86/558274386.db2.gz LCJLWOSWJQKFON-FQEVSTJZSA-N 2 0 406.954 3.720 50 0 HHAARP O[C@@H](COc1ccc(C[NH2+]CCn2ccc3ccccc32)cc1)C[NH+]1CCCCC1 ZINC000011818504 558281850 /nfs/dbraw/zinc/28/18/50/558281850.db2.gz VTQVETSCBYWVKX-HSZRJFAPSA-N 2 0 407.558 3.657 50 0 HHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1=CCCCC1 ZINC000011996959 558306890 /nfs/dbraw/zinc/30/68/90/558306890.db2.gz NDGZXZRUORZAKD-HXUWFJFHSA-N 2 0 401.570 3.928 50 0 HHAARP C[N@@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012705335 558449462 /nfs/dbraw/zinc/44/94/62/558449462.db2.gz PIUUWOAFBCXQRE-JOCHJYFZSA-N 2 0 424.564 3.742 50 0 HHAARP COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012718002 558455996 /nfs/dbraw/zinc/45/59/96/558455996.db2.gz HYJBSLAYBTZDSI-JOCHJYFZSA-N 2 0 416.606 3.979 50 0 HHAARP CCOC(=O)c1c(NC(=O)C[NH2+]C2CCCC2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000003339730 568855441 /nfs/dbraw/zinc/85/54/41/568855441.db2.gz GBJGDCANTOHBAS-UHFFFAOYSA-N 2 0 407.580 3.555 50 0 HHAARP C[N@H+](CCC1CCOCC1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012715756 568917922 /nfs/dbraw/zinc/91/79/22/568917922.db2.gz ZBLBZXPUCRZVLQ-QHCPKHFHSA-N 2 0 404.595 3.551 50 0 HHAARP CC1CC[NH+](Cc2ccc(NC(=O)CCc3nc(C4=CC[N@H+](C)CC4)no3)cc2)CC1 ZINC000006800227 569126908 /nfs/dbraw/zinc/12/69/08/569126908.db2.gz OWKYYBXKYRHVCJ-UHFFFAOYSA-N 2 0 423.561 3.592 50 0 HHAARP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000079491348 569432463 /nfs/dbraw/zinc/43/24/63/569432463.db2.gz QUKSSLAPLICMEA-UHFFFAOYSA-N 2 0 409.574 3.847 50 0 HHAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@H]1CC12CCC2 ZINC000012584953 962298199 /nfs/dbraw/zinc/29/81/99/962298199.db2.gz IBXZYFDIFFYXCZ-RUZDIDTESA-N 2 0 423.645 3.836 50 0 HHAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(C4CCCCC4)s3)C[C@@H]2CCO)CC1 ZINC000023373095 963811070 /nfs/dbraw/zinc/81/10/70/963811070.db2.gz FBUKRQYEBSKTAZ-NRFANRHFSA-N 2 0 405.652 3.759 50 0 HHAARP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(OC)c(C)c1)Cc1ccccc1O2 ZINC000257193983 970625056 /nfs/dbraw/zinc/62/50/56/970625056.db2.gz SHWZBLZKZYMYOH-UHFFFAOYSA-N 2 0 410.558 3.879 50 0 HHAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC000011661548 558265308 /nfs/dbraw/zinc/26/53/08/558265308.db2.gz XRNAHZNBWBPOTC-UHFFFAOYSA-N 2 0 407.986 3.665 50 0 HHAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](Cc3cccnc3)C[C@@H]3CCCO3)CC1)C2 ZINC000011938288 558301823 /nfs/dbraw/zinc/30/18/23/558301823.db2.gz RNYWXEXKIMCPHW-SANMLTNESA-N 2 0 405.586 3.942 50 0 HHAARP CC[NH+](CC)CC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012209443 558353760 /nfs/dbraw/zinc/35/37/60/558353760.db2.gz XANGEHRZIVVDRD-QFIPXVFZSA-N 2 0 400.611 3.797 50 0 HHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccsc1 ZINC000012373307 558390550 /nfs/dbraw/zinc/39/05/50/558390550.db2.gz GTBAVGKKIMWVSV-SFHVURJKSA-N 2 0 403.567 3.803 50 0 HHAARP COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012373347 558390833 /nfs/dbraw/zinc/39/08/33/558390833.db2.gz MRZOBYROKNDFPC-LHXJMTLCSA-N 2 0 413.606 3.753 50 0 HHAARP Cc1ncc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)[nH]1 ZINC000067920718 558994709 /nfs/dbraw/zinc/99/47/09/558994709.db2.gz BTUATNRNENWUIG-JOCHJYFZSA-N 2 0 400.542 3.750 50 0 HHAARP c1cncc(C[NH+]2CCC(Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)CC2)c1 ZINC000097037562 559023750 /nfs/dbraw/zinc/02/37/50/559023750.db2.gz CGWUVCRFTIHSIR-UHFFFAOYSA-N 2 0 405.590 3.690 50 0 HHAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000011956299 559269241 /nfs/dbraw/zinc/26/92/41/559269241.db2.gz FBRJMWFDUKZIJT-VWLOTQADSA-N 2 0 404.554 3.891 50 0 HHAARP Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000003959371 568930590 /nfs/dbraw/zinc/93/05/90/568930590.db2.gz NCRALVTUDQJLGN-UHFFFAOYSA-N 2 0 424.589 3.773 50 0 HHAARP COc1cc(C[NH2+]CCc2ccco2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011766419 962183996 /nfs/dbraw/zinc/18/39/96/962183996.db2.gz KCHHUZMTXYTUPQ-NRFANRHFSA-N 2 0 416.562 3.625 50 0 HHAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)Cc2ccc(C)cc2)ccc1OC ZINC000012202034 962251841 /nfs/dbraw/zinc/25/18/41/962251841.db2.gz XOVWOFCEVCULRZ-QFIPXVFZSA-N 2 0 400.563 3.717 50 0 HHAARP OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCC3)s2)CC[N@@H+]1CC1CCCCC1 ZINC000023360730 963806837 /nfs/dbraw/zinc/80/68/37/963806837.db2.gz JIWJEYNMJBXNEK-OAQYLSRUSA-N 2 0 405.652 3.793 50 0 HHAARP CCOc1ccc(C[NH+]2CCC(C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)cc1 ZINC000004725507 557587307 /nfs/dbraw/zinc/58/73/07/557587307.db2.gz RKWCCXSRLCVDDC-UHFFFAOYSA-N 2 0 423.601 3.888 50 0 HHAARP COc1ccc(C[N@H+](C)CCc2ccccc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011933425 558298171 /nfs/dbraw/zinc/29/81/71/558298171.db2.gz IEDREFAFVXETGR-QHCPKHFHSA-N 2 0 412.574 3.595 50 0 HHAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccc(C)cc2)C1 ZINC000012054407 558315154 /nfs/dbraw/zinc/31/51/54/558315154.db2.gz ODQBNNQLEDMAPQ-JOCHJYFZSA-N 2 0 423.601 3.920 50 0 HHAARP C[C@@H](CC1CC1)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012592987 558436429 /nfs/dbraw/zinc/43/64/29/558436429.db2.gz BXVLMHFZWWYKTP-INIZCTEOSA-N 2 0 407.986 3.663 50 0 HHAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)C1=CCCC1 ZINC000012707040 558450246 /nfs/dbraw/zinc/45/02/46/558450246.db2.gz XKMIDHBLSAFVAX-UHFFFAOYSA-N 2 0 409.618 3.756 50 0 HHAARP CCC[NH+]1CCC(N2C[C@@H]([NH2+]C3CCCCCCC3)C[C@H]2C(=O)NC(C)C)CC1 ZINC000023358848 558551476 /nfs/dbraw/zinc/55/14/76/558551476.db2.gz JEGMQVOITSSUHJ-GMAHTHKFSA-N 2 0 406.659 3.531 50 0 HHAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCc2ccccc2Cl)ccc1OC ZINC000023398298 558556676 /nfs/dbraw/zinc/55/66/76/558556676.db2.gz BJNFOZXTFVSSCC-FQEVSTJZSA-N 2 0 420.981 3.762 50 0 HHAARP Cc1[nH]ccc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095496811 559081580 /nfs/dbraw/zinc/08/15/80/559081580.db2.gz TZCPLURRPIHZTG-NRFANRHFSA-N 2 0 400.611 3.906 50 0 HHAARP C[NH+](C[C@H](O)COc1ccccc1C[N@H+](C)CCC1CCOCC1)C1CCCCC1 ZINC000011934540 559268728 /nfs/dbraw/zinc/26/87/28/559268728.db2.gz LTWNDJXSVFBICG-DEOSSOPVSA-N 2 0 418.622 3.939 50 0 HHAARP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299769341 568873948 /nfs/dbraw/zinc/87/39/48/568873948.db2.gz WTIOPDIXFZMFKE-QTJGBDASSA-N 2 0 404.558 3.654 50 0 HHAARP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012744818 568930329 /nfs/dbraw/zinc/93/03/29/568930329.db2.gz POPOTNAWWUZTCB-QHCPKHFHSA-N 2 0 412.574 3.909 50 0 HHAARP C[N@H+](CCC(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000004491695 960597192 /nfs/dbraw/zinc/59/71/92/960597192.db2.gz PWHYGCHWVGSSMY-UHFFFAOYSA-N 3 0 408.675 3.727 50 0 HHAARP C[NH+](Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1)Cc1cccnc1 ZINC000011934537 962210566 /nfs/dbraw/zinc/21/05/66/962210566.db2.gz JYHIDZVHBVCDIS-DEOSSOPVSA-N 2 0 405.542 3.585 50 0 HHAARP Cc1ccc(-n2cc(C[NH2+]CC3CC[NH+](CCO)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011838641 558285450 /nfs/dbraw/zinc/28/54/50/558285450.db2.gz BVORMTXTNBXTKS-UHFFFAOYSA-N 2 0 422.548 3.781 50 0 HHAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000011874374 558291897 /nfs/dbraw/zinc/29/18/97/558291897.db2.gz CTHQXKUEETWTCJ-UHFFFAOYSA-N 2 0 415.965 3.675 50 0 HHAARP O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1C[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000012056834 558316170 /nfs/dbraw/zinc/31/61/70/558316170.db2.gz CDJVABFBWVRXFK-VWNXMTODSA-N 2 0 424.564 3.919 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012203805 558351921 /nfs/dbraw/zinc/35/19/21/558351921.db2.gz ZTJGEFFPYJNTPI-IBGZPJMESA-N 2 0 404.576 3.581 50 0 HHAARP COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012205502 558352533 /nfs/dbraw/zinc/35/25/33/558352533.db2.gz CWFHFTDBRIDEGQ-NRFANRHFSA-N 2 0 404.526 3.512 50 0 HHAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012301860 558371585 /nfs/dbraw/zinc/37/15/85/558371585.db2.gz JMRCPKRXVRXREH-HXUWFJFHSA-N 2 0 410.624 3.544 50 0 HHAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cnc(N(C)C)s2)CC1 ZINC000012439907 558411299 /nfs/dbraw/zinc/41/12/99/558411299.db2.gz IUVINFQFFQKUNK-UHFFFAOYSA-N 2 0 402.608 3.604 50 0 HHAARP CSc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012468870 558421201 /nfs/dbraw/zinc/42/12/01/558421201.db2.gz FISVPSUZSJBHMJ-IBGZPJMESA-N 2 0 403.636 3.953 50 0 HHAARP CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C[NH+]1CCCCCC1 ZINC000012572628 558429749 /nfs/dbraw/zinc/42/97/49/558429749.db2.gz CUUJOQNPEPKGBP-OAQYLSRUSA-N 2 0 406.014 3.929 50 0 HHAARP COCC[N@@H+](Cc1cccc2c1OCO2)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012701463 558447601 /nfs/dbraw/zinc/44/76/01/558447601.db2.gz VUKRSZQSAQLSCY-UHFFFAOYSA-N 2 0 414.521 3.915 50 0 HHAARP C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(OC3CC[NH+](CCc4ccccc4)CC3)c2)C1 ZINC000012758340 558460311 /nfs/dbraw/zinc/46/03/11/558460311.db2.gz MPPWLMJTSPLRDJ-HSZRJFAPSA-N 2 0 421.585 3.549 50 0 HHAARP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](C/C=C/c2ccco2)CC1 ZINC000014986641 558692958 /nfs/dbraw/zinc/69/29/58/558692958.db2.gz SQWYLBCIYRUILU-FNORWQNLSA-N 2 0 415.607 3.879 50 0 HHAARP O=C(CN(Cc1ccco1)Cc1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000015482923 558741201 /nfs/dbraw/zinc/74/12/01/558741201.db2.gz ONMLMWGONWABGO-UHFFFAOYSA-N 2 0 419.525 3.753 50 0 HHAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)o1 ZINC000019340459 558871396 /nfs/dbraw/zinc/87/13/96/558871396.db2.gz QRGCTMZONTZVTL-UHFFFAOYSA-N 2 0 422.573 3.730 50 0 HHAARP Cc1[nH]ccc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095496810 559081560 /nfs/dbraw/zinc/08/15/60/559081560.db2.gz TZCPLURRPIHZTG-OAQYLSRUSA-N 2 0 400.611 3.906 50 0 HHAARP CN(Cc1nccs1)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000011840627 559261455 /nfs/dbraw/zinc/26/14/55/559261455.db2.gz BXUJOENJXXTWIB-JOCHJYFZSA-N 2 0 423.582 3.573 50 0 HHAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3-c3ccco3)C[C@H]2CCO)CC1 ZINC000104633492 569008968 /nfs/dbraw/zinc/00/89/68/569008968.db2.gz KYEAKSSMVVWSFW-HSZRJFAPSA-N 2 0 411.590 3.688 50 0 HHAARP Cn1cc(C[NH+]2CCC(C(=O)NCC[NH+]3CCCCC3)CC2)c2cc(Cl)ccc21 ZINC000035457848 569037786 /nfs/dbraw/zinc/03/77/86/569037786.db2.gz RIDKSBMUFHTFBH-UHFFFAOYSA-N 2 0 416.997 3.646 50 0 HHAARP COc1cccc(C[N@H+]2CC=C(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000064817987 569101261 /nfs/dbraw/zinc/10/12/61/569101261.db2.gz YIKNRDAAAMCPRK-UHFFFAOYSA-N 2 0 419.569 3.608 50 0 HHAARP COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011753896 962180001 /nfs/dbraw/zinc/18/00/01/962180001.db2.gz GDZOQCLKEUBKBW-QFIPXVFZSA-N 2 0 416.606 3.978 50 0 HHAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2cnc(-c4ccccc4)s2)CC3)CC1 ZINC000012019946 962223913 /nfs/dbraw/zinc/22/39/13/962223913.db2.gz CBBSVIFVSCXGND-OAQYLSRUSA-N 2 0 424.614 3.576 50 0 HHAARP COCC[N@@H+](Cc1ccc(COC)o1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012458190 962284722 /nfs/dbraw/zinc/28/47/22/962284722.db2.gz FMCPURNUCXZLBH-UHFFFAOYSA-N 2 0 416.562 3.795 50 0 HHAARP COc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012579816 962296246 /nfs/dbraw/zinc/29/62/46/962296246.db2.gz BOUHGHFJLYJJQQ-HXUWFJFHSA-N 2 0 411.546 3.546 50 0 HHAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000012755373 962324262 /nfs/dbraw/zinc/32/42/62/962324262.db2.gz MESXQNNJHQLMGC-QHCPKHFHSA-N 2 0 415.622 3.734 50 0 HHAARP c1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ncccn2)c1 ZINC000011840332 558286388 /nfs/dbraw/zinc/28/63/88/558286388.db2.gz KBWBWPLIROVYAH-DEOSSOPVSA-N 2 0 423.605 3.903 50 0 HHAARP COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011998426 558307449 /nfs/dbraw/zinc/30/74/49/558307449.db2.gz CKUCZFQGCUHIKI-HSZRJFAPSA-N 2 0 412.574 3.562 50 0 HHAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000012300672 558370583 /nfs/dbraw/zinc/37/05/83/558370583.db2.gz UQZVIHBXIYDNOD-NRFANRHFSA-N 2 0 420.981 3.762 50 0 HHAARP CC[N@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012438409 558409794 /nfs/dbraw/zinc/40/97/94/558409794.db2.gz UWEPOVFTSBYRPV-FQEVSTJZSA-N 2 0 415.622 3.722 50 0 HHAARP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNC2CC[NH+](C(C)C)CC2)C[C@@]1(C)CO ZINC000012467345 558420736 /nfs/dbraw/zinc/42/07/36/558420736.db2.gz ZPLXTCVQMDNBPM-OIBXWCBGSA-N 2 0 408.030 3.936 50 0 HHAARP CCCC[N@H+](C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000023312395 558548874 /nfs/dbraw/zinc/54/88/74/558548874.db2.gz YJXDTWKPCHZIJI-UHFFFAOYSA-N 2 0 411.594 3.657 50 0 HHAARP Cc1occc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095531825 559087121 /nfs/dbraw/zinc/08/71/21/559087121.db2.gz AZLUDENEZUNBQR-LJQANCHMSA-N 2 0 401.526 3.643 50 0 HHAARP Cc1ccc(C[NH2+]Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)o1 ZINC000012053883 560887928 /nfs/dbraw/zinc/88/79/28/560887928.db2.gz CKSMJQIBTQQFHG-HSZRJFAPSA-N 2 0 406.526 3.676 50 0 HHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccc(OC)cc2)CC1 ZINC000012585317 568866209 /nfs/dbraw/zinc/86/62/09/568866209.db2.gz QRQHFTHLYMULII-DOHLAZSCSA-N 2 0 413.606 3.801 50 0 HHAARP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012879113 569014098 /nfs/dbraw/zinc/01/40/98/569014098.db2.gz ASYKZGVEODZQHS-PSWAGMNNSA-N 2 0 406.574 3.960 50 0 HHAARP O[C@H](COc1ccccc1C[NH2+]C(C1CC1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012387156 962273935 /nfs/dbraw/zinc/27/39/35/962273935.db2.gz UACQWMSMVCHSEV-DEOSSOPVSA-N 2 0 406.570 3.763 50 0 HHAARP C[C@@H](CC1(C)CC1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012704995 962314724 /nfs/dbraw/zinc/31/47/24/962314724.db2.gz NJGZXEODDWLLPA-IBGZPJMESA-N 2 0 401.595 3.742 50 0 HHAARP COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012708600 962315983 /nfs/dbraw/zinc/31/59/83/962315983.db2.gz DZGLPGMESOPWQV-UYXFXHDXSA-N 2 0 416.606 3.689 50 0 HHAARP C[N@@H+](Cc1cccc(OCCO)c1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000014977319 962617739 /nfs/dbraw/zinc/61/77/39/962617739.db2.gz KLHFPXPXEUHANR-UHFFFAOYSA-N 2 0 400.538 3.583 50 0 HHAARP COc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000023620151 963864094 /nfs/dbraw/zinc/86/40/94/963864094.db2.gz LGOUGMRVHMMLQE-XMMPIXPASA-N 2 0 420.553 3.857 50 0 HHAARP O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23)N1CCCCC1 ZINC000257194205 970624965 /nfs/dbraw/zinc/62/49/65/970624965.db2.gz STRNMPBZLRIWST-WSKLTFMVSA-N 2 0 424.633 3.939 50 0 HHAARP COc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000004612470 557572341 /nfs/dbraw/zinc/57/23/41/557572341.db2.gz CMNBFNNPYPRNMB-UHFFFAOYSA-N 2 0 413.606 3.980 50 0 HHAARP O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1C[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000012056830 558316067 /nfs/dbraw/zinc/31/60/67/558316067.db2.gz CDJVABFBWVRXFK-ISKFKSNPSA-N 2 0 424.564 3.919 50 0 HHAARP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)CC1 ZINC000012111803 558326035 /nfs/dbraw/zinc/32/60/35/558326035.db2.gz ZJHUMQXIALRMAY-HXUWFJFHSA-N 2 0 403.586 3.659 50 0 HHAARP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012195313 558349047 /nfs/dbraw/zinc/34/90/47/558349047.db2.gz UALKPXRSJWMGOV-NRFANRHFSA-N 2 0 422.635 3.686 50 0 HHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)/C=C/c1ccco1 ZINC000014969241 558686936 /nfs/dbraw/zinc/68/69/36/558686936.db2.gz BVOGBQUZTUVJLX-YVNCXZRQSA-N 2 0 413.537 3.734 50 0 HHAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000055198260 558875782 /nfs/dbraw/zinc/87/57/82/558875782.db2.gz ZYHOVYWBQNQLDE-UHFFFAOYSA-N 2 0 421.994 3.736 50 0 HHAARP CC(C)C[N@H+](C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000067805409 558993139 /nfs/dbraw/zinc/99/31/39/558993139.db2.gz JKOSYQKEXRPDDO-UHFFFAOYSA-N 2 0 411.594 3.513 50 0 HHAARP Cc1cc(C(=O)N(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)on1 ZINC000095504168 559082928 /nfs/dbraw/zinc/08/29/28/559082928.db2.gz USZLLKRNJAXQCU-FQEVSTJZSA-N 2 0 402.583 3.566 50 0 HHAARP Cc1occc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000095531826 559087004 /nfs/dbraw/zinc/08/70/04/559087004.db2.gz AZLUDENEZUNBQR-IBGZPJMESA-N 2 0 401.526 3.643 50 0 HHAARP CCCC[NH2+]Cc1cccn1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000007002047 569051753 /nfs/dbraw/zinc/05/17/53/569051753.db2.gz XQGYUJRULMWZSE-UHFFFAOYSA-N 2 0 402.612 3.673 50 0 HHAARP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547286 569305805 /nfs/dbraw/zinc/30/58/05/569305805.db2.gz QMEBWXRRGMYDPW-UHFFFAOYSA-N 2 0 405.586 3.967 50 0 HHAARP COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011753897 962182232 /nfs/dbraw/zinc/18/22/32/962182232.db2.gz GDZOQCLKEUBKBW-JOCHJYFZSA-N 2 0 416.606 3.978 50 0 HHAARP COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011817822 962197791 /nfs/dbraw/zinc/19/77/91/962197791.db2.gz NIXBEORJQDKTRN-QHCPKHFHSA-N 2 0 412.574 3.861 50 0 HHAARP CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C[NH+]1CCCCCC1 ZINC000011843833 962202229 /nfs/dbraw/zinc/20/22/29/962202229.db2.gz IKOTXIRIHNDITM-QHCPKHFHSA-N 2 0 415.622 3.674 50 0 HHAARP COc1ccc(C[NH2+]CCCSC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012208766 962253844 /nfs/dbraw/zinc/25/38/44/962253844.db2.gz FZVXKFUKERTPKL-HXUWFJFHSA-N 2 0 410.624 3.544 50 0 HHAARP C[C@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000012244295 962257242 /nfs/dbraw/zinc/25/72/42/962257242.db2.gz XQAWXXOXHMWXDQ-GOSISDBHSA-N 2 0 411.512 3.657 50 0 HHAARP COc1ccc(C[NH2+]CCCC2CCCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012432016 962278590 /nfs/dbraw/zinc/27/85/90/962278590.db2.gz QUKQTYQBXIPUQW-QFIPXVFZSA-N 2 0 404.595 3.981 50 0 HHAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC ZINC000012458775 962284787 /nfs/dbraw/zinc/28/47/87/962284787.db2.gz STHSWXSNKDMFNY-FQEVSTJZSA-N 2 0 404.526 3.514 50 0 HHAARP CC[N@@H+]1CCC[C@H]1CN(Cc1nc(C(C)C)cs1)CC1CC[NH+](CCOC)CC1 ZINC000020209903 963386387 /nfs/dbraw/zinc/38/63/87/963386387.db2.gz YFXCJFMENICNIV-NRFANRHFSA-N 2 0 422.683 3.911 50 0 HHAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCc2ccccc2Cl)ccc1OC ZINC000023398295 558556721 /nfs/dbraw/zinc/55/67/21/558556721.db2.gz BJNFOZXTFVSSCC-HXUWFJFHSA-N 2 0 420.981 3.762 50 0 HHAARP CC[NH+](CC)CCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000014963412 558684742 /nfs/dbraw/zinc/68/47/42/558684742.db2.gz YOHPWWLXAJMRAO-UHFFFAOYSA-N 2 0 423.601 3.844 50 0 HHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc(C(C)C)cs2)CC1 ZINC000014965777 558685565 /nfs/dbraw/zinc/68/55/65/558685565.db2.gz WHOYUNDZARWAFD-IBGZPJMESA-N 2 0 406.640 3.859 50 0 HHAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000015068418 558710834 /nfs/dbraw/zinc/71/08/34/558710834.db2.gz QJTZZIJFJZKXIK-QFIPXVFZSA-N 2 0 422.013 3.625 50 0 HHAARP Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000067614249 558989568 /nfs/dbraw/zinc/98/95/68/558989568.db2.gz TXNXPYWZYBHUQX-UHFFFAOYSA-N 2 0 406.574 3.598 50 0 HHAARP Cc1cccnc1C[NH+]1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077485917 559006886 /nfs/dbraw/zinc/00/68/86/559006886.db2.gz FZZWLBDRSDKSKT-UHFFFAOYSA-N 2 0 414.594 3.831 50 0 HHAARP Cn1cccc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095499037 559081884 /nfs/dbraw/zinc/08/18/84/559081884.db2.gz VSFHVPXWODAIKA-NRFANRHFSA-N 2 0 400.611 3.608 50 0 HHAARP Cc1ncsc1CCC[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000015068956 568749161 /nfs/dbraw/zinc/74/91/61/568749161.db2.gz FGDDCDNBHSHDTD-NRFANRHFSA-N 2 0 417.619 3.790 50 0 HHAARP Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000079488804 569432386 /nfs/dbraw/zinc/43/23/86/569432386.db2.gz BNGYEHVNPWMCIE-UHFFFAOYSA-N 2 0 409.574 3.532 50 0 HHAARP COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H]([NH3+])C(C)C)[C@H](CC(C)C)C[N@@H+]1CC2 ZINC000043195697 571317691 /nfs/dbraw/zinc/31/76/91/571317691.db2.gz GEJDGVNQKABXKG-CFKGEZKQSA-N 2 0 418.578 3.564 50 0 fda HHAARP COc1cc(C[NH2+]Cc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011661365 962157096 /nfs/dbraw/zinc/15/70/96/962157096.db2.gz KHKCZOZWMQMIMI-HSZRJFAPSA-N 2 0 412.574 3.991 50 0 HHAARP CSc1cccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)c1 ZINC000012710862 962315750 /nfs/dbraw/zinc/31/57/50/962315750.db2.gz FLMXCATVUWTSNY-NRFANRHFSA-N 2 0 400.588 3.924 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(Cl)cc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012713404 962317509 /nfs/dbraw/zinc/31/75/09/962317509.db2.gz SKDABFLQZRSZOX-FQEVSTJZSA-N 2 0 406.954 3.718 50 0 HHAARP CCN1CCC[C@@H]1C[N@@H+](Cc1cccc(C(C)=O)c1)CC1CC[NH+](CCOC)CC1 ZINC000022851388 963729220 /nfs/dbraw/zinc/72/92/20/963729220.db2.gz MDYQQTDKRUPAKP-RUZDIDTESA-N 2 0 415.622 3.534 50 0 HHAARP O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23)NC1CCCC1 ZINC000257186549 970622445 /nfs/dbraw/zinc/62/24/45/970622445.db2.gz KNVKMYLCNCWPJT-PFHLPCBSSA-N 2 0 424.633 3.986 50 0 HHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc(F)cc1 ZINC000011952608 558303049 /nfs/dbraw/zinc/30/30/49/558303049.db2.gz GWBJUOKDXOHPCE-IBGZPJMESA-N 2 0 415.528 3.881 50 0 HHAARP COc1ccc(C[NH2+]C2CCCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012055356 558315570 /nfs/dbraw/zinc/31/55/70/558315570.db2.gz NRXLYAYUOABZBJ-HSZRJFAPSA-N 2 0 412.574 3.989 50 0 HHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012058426 558316812 /nfs/dbraw/zinc/31/68/12/558316812.db2.gz XDBDLABDMNGQND-SFHVURJKSA-N 2 0 403.567 3.803 50 0 HHAARP CC[N@@H+](Cc1cc(F)ccc1-n1cccn1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012074906 558319145 /nfs/dbraw/zinc/31/91/45/558319145.db2.gz FHLLAKOGLPNNJY-UHFFFAOYSA-N 2 0 413.585 3.640 50 0 HHAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC ZINC000012111740 558326074 /nfs/dbraw/zinc/32/60/74/558326074.db2.gz OPKHHKIIBUOGNU-OAQYLSRUSA-N 2 0 404.526 3.514 50 0 HHAARP CC[NH+](CC)CC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012209437 558353750 /nfs/dbraw/zinc/35/37/50/558353750.db2.gz XANGEHRZIVVDRD-JOCHJYFZSA-N 2 0 400.611 3.797 50 0 HHAARP COc1ccc(C[NH+]2CCC(C)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012301261 558370856 /nfs/dbraw/zinc/37/08/56/558370856.db2.gz HXIWLCRGTVQISM-QHCPKHFHSA-N 2 0 412.574 3.799 50 0 HHAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccs2)C1 ZINC000012303323 558372968 /nfs/dbraw/zinc/37/29/68/558372968.db2.gz PNKYDTRBQODHIM-LJQANCHMSA-N 2 0 415.603 3.673 50 0 HHAARP COc1cc(C[N@H+](C)Cc2ccc(F)cc2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012430257 558405002 /nfs/dbraw/zinc/40/50/02/558405002.db2.gz DMULEYLWMICRNC-NRFANRHFSA-N 2 0 404.526 3.546 50 0 HHAARP CCn1cc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)c(C)n1 ZINC000012473796 558422276 /nfs/dbraw/zinc/42/22/76/558422276.db2.gz JUUJTEZYSNRWMN-UHFFFAOYSA-N 2 0 414.594 3.581 50 0 HHAARP CC[NH+](CC)Cc1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)ccc1OC ZINC000039500579 558821724 /nfs/dbraw/zinc/82/17/24/558821724.db2.gz VKLIRTDFXHTEOX-XMMPIXPASA-N 2 0 417.638 3.738 50 0 HHAARP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000082108166 559038666 /nfs/dbraw/zinc/03/86/66/559038666.db2.gz HVAVMBBOKONSHE-JOCHJYFZSA-N 2 0 412.622 3.845 50 0 HHAARP COc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000015078101 568750057 /nfs/dbraw/zinc/75/00/57/568750057.db2.gz QMTWSANKOHZGCJ-OAQYLSRUSA-N 2 0 418.965 3.516 50 0 HHAARP CCc1ccc(C[N@@H+](C)Cc2ccc(OC[C@@H](O)C[NH+](CC)CC)c(OC)c2)cc1 ZINC000012571310 962292913 /nfs/dbraw/zinc/29/29/13/962292913.db2.gz FOCDSYQEIKKVDU-QHCPKHFHSA-N 2 0 414.590 3.971 50 0 HHAARP COc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012579808 962296070 /nfs/dbraw/zinc/29/60/70/962296070.db2.gz BOUHGHFJLYJJQQ-FQEVSTJZSA-N 2 0 411.546 3.546 50 0 HHAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000012589829 962297727 /nfs/dbraw/zinc/29/77/27/962297727.db2.gz QRAVEYWCMVMLEJ-UHFFFAOYSA-N 2 0 421.994 3.736 50 0 HHAARP O[C@H](COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2)C[NH+]1CCSCC1 ZINC000012705403 962315423 /nfs/dbraw/zinc/31/54/23/962315423.db2.gz CCUVHGMOYRDOLW-GAWOJFTKSA-N 2 0 416.631 3.534 50 0 HHAARP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000015073156 962649830 /nfs/dbraw/zinc/64/98/30/962649830.db2.gz LXEOPTDOYOBJPK-DHZHZOJOSA-N 2 0 421.585 3.877 50 0 HHAARP CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCc1ccccc1)C2 ZINC000019222364 963357661 /nfs/dbraw/zinc/35/76/61/963357661.db2.gz UOOKEUKXPMFVSC-AREMUKBSSA-N 2 0 413.650 3.766 50 0 HHAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3nc4ccccc4n3C)CC2)cc1 ZINC000012433397 558407290 /nfs/dbraw/zinc/40/72/90/558407290.db2.gz NFXIBOXKWOEDGZ-UHFFFAOYSA-N 2 0 406.574 3.968 50 0 HHAARP C[NH+](C)C[C@H](O)COc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000012752262 558459247 /nfs/dbraw/zinc/45/92/47/558459247.db2.gz UGRASIXFNMMXRR-QHCPKHFHSA-N 2 0 400.538 3.582 50 0 HHAARP CSc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000015075962 558716299 /nfs/dbraw/zinc/71/62/99/558716299.db2.gz OWXPGKLVPBZIGN-IBGZPJMESA-N 2 0 403.636 3.953 50 0 HHAARP COc1ccc(C(=O)N(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000039510193 558821903 /nfs/dbraw/zinc/82/19/03/558821903.db2.gz SVGRRZDGKVYINZ-FQEVSTJZSA-N 2 0 417.594 3.871 50 0 HHAARP Cc1ccc(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)o1 ZINC000012053881 560887936 /nfs/dbraw/zinc/88/79/36/560887936.db2.gz CKSMJQIBTQQFHG-QHCPKHFHSA-N 2 0 406.526 3.676 50 0 HHAARP Fc1cccc(Cl)c1Cn1nc(C[NH2+]CC2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000261492026 568820473 /nfs/dbraw/zinc/82/04/73/568820473.db2.gz PYCIWDPQTWPFGJ-UHFFFAOYSA-N 2 0 413.928 3.875 50 0 HHAARP C[N@H+](CCc1ccccn1)Cc1cc2ccc(F)cc2n(CC[NH+]2CCCCC2)c1=O ZINC000299785141 568875473 /nfs/dbraw/zinc/87/54/73/568875473.db2.gz JEUCXEPIUNTEFL-UHFFFAOYSA-N 2 0 422.548 3.696 50 0 HHAARP C[N@H+](CCC1CCOCC1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012715763 568918041 /nfs/dbraw/zinc/91/80/41/568918041.db2.gz ZBLBZXPUCRZVLQ-HSZRJFAPSA-N 2 0 404.595 3.551 50 0 HHAARP C[NH+]1CCC(N2CCN(Cc3ccc(-c4cccc(Cl)c4)o3)C[C@H]2CCO)CC1 ZINC000106685781 569009175 /nfs/dbraw/zinc/00/91/75/569009175.db2.gz IQZPLNCCQZCVQM-OAQYLSRUSA-N 2 0 417.981 3.563 50 0 HHAARP C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4cccc(C(F)(F)F)c4)[N@@H+]4CCC[C@@]34C2=O)CC1 ZINC000011954184 962215220 /nfs/dbraw/zinc/21/52/20/962215220.db2.gz PIHHXMUBGVMFQQ-CUWPLCDZSA-N 2 0 407.480 3.537 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012049275 962228884 /nfs/dbraw/zinc/22/88/84/962228884.db2.gz HPXBJUYQVPSMBS-HXUWFJFHSA-N 2 0 402.535 3.502 50 0 HHAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1)C1CC[NH+](C)CC1 ZINC000012705288 962315262 /nfs/dbraw/zinc/31/52/62/962315262.db2.gz JCLCDNGOJFPAIX-GOSISDBHSA-N 2 0 423.548 3.833 50 0 HHAARP CCC[NH+]1CCN(C(=O)CC[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)CC1 ZINC000299771798 970722279 /nfs/dbraw/zinc/72/22/79/970722279.db2.gz UXGBKBVMEGVKNJ-XMMPIXPASA-N 2 0 407.558 3.567 50 0 HHAARP C[NH+]1CCC(N2CC[N@H+](Cc3cccc4c5ccccc5oc43)C[C@@H]2CCO)CC1 ZINC000019839030 558293480 /nfs/dbraw/zinc/29/34/80/558293480.db2.gz YWLRCCWAIUOKQH-NRFANRHFSA-N 2 0 407.558 3.549 50 0 HHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012058424 558316901 /nfs/dbraw/zinc/31/69/01/558316901.db2.gz XDBDLABDMNGQND-GOSISDBHSA-N 2 0 403.567 3.803 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012224763 558356807 /nfs/dbraw/zinc/35/68/07/558356807.db2.gz BGTPLRYIDYHLEI-IBGZPJMESA-N 2 0 406.954 3.718 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012439989 558411427 /nfs/dbraw/zinc/41/14/27/558411427.db2.gz PZAXMNMVPWWFCV-MRXNPFEDSA-N 2 0 412.983 3.780 50 0 HHAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(Sc4nncn4C)o3)CC2)o1 ZINC000012704510 558449221 /nfs/dbraw/zinc/44/92/21/558449221.db2.gz RRGKHEBQSOEDAJ-UHFFFAOYSA-N 2 0 415.563 3.805 50 0 HHAARP C[NH+](C[C@@H](O)COc1ccccc1C[N@H+](C)CCC1CCOCC1)C1CCCCC1 ZINC000011934541 559268740 /nfs/dbraw/zinc/26/87/40/559268740.db2.gz LTWNDJXSVFBICG-XMMPIXPASA-N 2 0 418.622 3.939 50 0 HHAARP Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCC1CC[NH+](C3CCCC3)CC1)C[C@@H](C)O2 ZINC000011788670 962190728 /nfs/dbraw/zinc/19/07/28/962190728.db2.gz KLDQRNZVWFVSJI-HXUWFJFHSA-N 2 0 413.606 3.739 50 0 HHAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(F)c(OC)c2)CC1 ZINC000011820669 962199631 /nfs/dbraw/zinc/19/96/31/962199631.db2.gz BKZZDJIZCPDEGY-UHFFFAOYSA-N 2 0 401.526 3.590 50 0 HHAARP C[NH+](Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1)Cc1cccnc1 ZINC000011934536 962210097 /nfs/dbraw/zinc/21/00/97/962210097.db2.gz JYHIDZVHBVCDIS-XMMPIXPASA-N 2 0 405.542 3.585 50 0 HHAARP C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000012244294 962257912 /nfs/dbraw/zinc/25/79/12/962257912.db2.gz XQAWXXOXHMWXDQ-SFHVURJKSA-N 2 0 411.512 3.657 50 0 HHAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000014973854 962614940 /nfs/dbraw/zinc/61/49/40/962614940.db2.gz BWZKDSSDGKLBLY-DEOSSOPVSA-N 2 0 402.579 3.975 50 0 HHAARP CCOC(=O)N1CCC([N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000012198144 558350533 /nfs/dbraw/zinc/35/05/33/558350533.db2.gz AQTDOSYPRUHAHB-UHFFFAOYSA-N 2 0 405.558 3.633 50 0 HHAARP COc1cc(C[N@H+](C)Cc2ccc(F)cc2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012430258 558404908 /nfs/dbraw/zinc/40/49/08/558404908.db2.gz DMULEYLWMICRNC-OAQYLSRUSA-N 2 0 404.526 3.546 50 0 HHAARP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)c1 ZINC000058018627 558895659 /nfs/dbraw/zinc/89/56/59/558895659.db2.gz MUSDWFRQJXKIFG-DEOSSOPVSA-N 2 0 414.638 3.524 50 0 HHAARP Cc1c(Nc2ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012597409 568869152 /nfs/dbraw/zinc/86/91/52/568869152.db2.gz QQIWPPKQZQHXSZ-UHFFFAOYSA-N 2 0 421.589 3.905 50 0 HHAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccc(CO)o2)C[C@H]2CCCO2)CC1 ZINC000011763086 962182178 /nfs/dbraw/zinc/18/21/78/962182178.db2.gz RGIQHRNOPIOYFM-HSZRJFAPSA-N 2 0 412.574 3.974 50 0 HHAARP C[C@@H](CNC(=O)C[NH+]1CCCCC1)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000011783223 962188898 /nfs/dbraw/zinc/18/88/98/962188898.db2.gz MFHYMMHOTKVIML-IBGZPJMESA-N 2 0 415.603 3.750 50 0 HHAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cnc(-c4ccccc4)s2)CC3)CC1 ZINC000012019944 962223738 /nfs/dbraw/zinc/22/37/38/962223738.db2.gz CBBSVIFVSCXGND-NRFANRHFSA-N 2 0 424.614 3.576 50 0 HHAARP COc1ccc(C[NH2+]Cc2ccc(Cl)s2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012027885 962224641 /nfs/dbraw/zinc/22/46/41/962224641.db2.gz HAPBVQXNBMUOIG-INIZCTEOSA-N 2 0 410.967 3.535 50 0 HHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012304936 962268915 /nfs/dbraw/zinc/26/89/15/962268915.db2.gz JXPDVZQAXZWLRU-HSZRJFAPSA-N 2 0 423.605 3.669 50 0 HHAARP CCc1ccc(C[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)nc1 ZINC000012318595 962270838 /nfs/dbraw/zinc/27/08/38/962270838.db2.gz IALIRZZGQASOCF-DEOSSOPVSA-N 2 0 411.590 3.892 50 0 HHAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1OC ZINC000011771524 558274584 /nfs/dbraw/zinc/27/45/84/558274584.db2.gz LCJLWOSWJQKFON-HXUWFJFHSA-N 2 0 406.954 3.720 50 0 HHAARP COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011945931 558302192 /nfs/dbraw/zinc/30/21/92/558302192.db2.gz JGOIAWXIRMNAPW-FQEVSTJZSA-N 2 0 404.526 3.512 50 0 HHAARP O=C(NCC[NH+]1CCCC1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012385290 558394226 /nfs/dbraw/zinc/39/42/26/558394226.db2.gz ROAIOLONBUWJNX-UHFFFAOYSA-N 2 0 419.997 3.951 50 0 HHAARP CC[N@@H+](Cc1ccc(Oc2ncccn2)cc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012711661 558452733 /nfs/dbraw/zinc/45/27/33/558452733.db2.gz BFBZPDWQTIZGOZ-UHFFFAOYSA-N 2 0 423.605 3.897 50 0 HHAARP COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CC[NH+](C2CCCCCC2)CC1 ZINC000015075537 558716153 /nfs/dbraw/zinc/71/61/53/558716153.db2.gz WIXYBTZCGNTTHO-UHFFFAOYSA-N 2 0 417.594 3.553 50 0 HHAARP CSc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000015075964 558716293 /nfs/dbraw/zinc/71/62/93/558716293.db2.gz OWXPGKLVPBZIGN-LJQANCHMSA-N 2 0 403.636 3.953 50 0 HHAARP C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)C1 ZINC000033274479 558764125 /nfs/dbraw/zinc/76/41/25/558764125.db2.gz YTCGALHGNPTHCB-IBGZPJMESA-N 2 0 404.624 3.511 50 0 HHAARP COc1cc(C[N@@H+]2CCCCC23CC3)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095505845 559083143 /nfs/dbraw/zinc/08/31/43/559083143.db2.gz KFLNTHHBPLROGZ-NRFANRHFSA-N 2 0 402.579 3.829 50 0 HHAARP CC[NH+](CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@H]2CC[NH2+]C2)cc1 ZINC000028823616 571304303 /nfs/dbraw/zinc/30/43/03/571304303.db2.gz XKPJTOHUPQWSOJ-QHCPKHFHSA-N 2 0 409.574 3.584 50 0 HHAARP