smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCCC4)N(C)C3)CC2)s1 ZINC000675011334 971490187 /nfs/dbraw/zinc/49/01/87/971490187.db2.gz SLAXVLPZVGGKPY-SFHVURJKSA-N 1 3 361.555 2.965 50 0 FFAAHO NCc1cn(C[C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)nn1 ZINC000023369015 969273494 /nfs/dbraw/zinc/27/34/94/969273494.db2.gz PMFSAGLZRBXHDI-SFHVURJKSA-N 1 3 362.481 2.711 50 0 FFAAHO NCc1cn(C[C@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)nn1 ZINC000023369015 969273498 /nfs/dbraw/zinc/27/34/98/969273498.db2.gz PMFSAGLZRBXHDI-SFHVURJKSA-N 1 3 362.481 2.711 50 0 FFAAHO CC(C)(C)C[N@@H+]1CCN(C2CCN(Cc3ccco3)CC2)C[C@H]1CCO ZINC000104558215 206238081 /nfs/dbraw/zinc/23/80/81/206238081.db2.gz OOXANRWQODNHEU-LJQANCHMSA-N 1 3 363.546 2.659 50 0 FFAAHO CC(C)(C)C[N@H+]1CCN(C2CCN(Cc3ccco3)CC2)C[C@H]1CCO ZINC000104558215 206238085 /nfs/dbraw/zinc/23/80/85/206238085.db2.gz OOXANRWQODNHEU-LJQANCHMSA-N 1 3 363.546 2.659 50 0 FFAAHO CN(C)CCNC(=O)CCC1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000012074264 506811197 /nfs/dbraw/zinc/81/11/97/506811197.db2.gz ROPSPAKXWUZUFA-UHFFFAOYSA-N 1 3 361.574 2.981 50 0 FFAAHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000136481995 508697232 /nfs/dbraw/zinc/69/72/32/508697232.db2.gz NTRBJWNNYKYDDF-UHFFFAOYSA-N 1 3 358.530 2.908 50 0 FFAAHO [NH3+][C@H]1C[C@@H](c2cc(NCCN3CCC(c4ccccc4)CC3)ncn2)C1 ZINC000244601948 509862115 /nfs/dbraw/zinc/86/21/15/509862115.db2.gz DUYCTIDZRKPUIV-KDURUIRLSA-N 1 3 351.498 2.973 50 0 FFAAHO COc1cc(CN2CCCC[C@@H]2CO)ccc1OCC[NH+]1CCCCC1 ZINC000216363565 522373917 /nfs/dbraw/zinc/37/39/17/522373917.db2.gz UTDHDBROPQRVBN-LJQANCHMSA-N 1 3 362.514 2.907 50 0 FFAAHO C[NH+]1CCC(N2CCC(c3ncnn3-c3ccc(F)c(F)c3)CC2)CC1 ZINC000670467543 571358988 /nfs/dbraw/zinc/35/89/88/571358988.db2.gz LELYDAQJIJWUHI-UHFFFAOYSA-N 1 3 361.440 2.819 50 0 FFAAHO COc1cccc(C[C@H](C)[N@H+]2CCC(=O)N(CCN3CCCCC3)CC2)c1 ZINC000011970246 987835568 /nfs/dbraw/zinc/83/55/68/987835568.db2.gz SLDDJDBYEMPTCM-IBGZPJMESA-N 1 3 373.541 2.646 50 0 FFAAHO COc1cccc(C[C@H](C)[N@@H+]2CCC(=O)N(CCN3CCCCC3)CC2)c1 ZINC000011970246 987835576 /nfs/dbraw/zinc/83/55/76/987835576.db2.gz SLDDJDBYEMPTCM-IBGZPJMESA-N 1 3 373.541 2.646 50 0 FFAAHO CC(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000015075653 1021791264 /nfs/dbraw/zinc/79/12/64/1021791264.db2.gz SNDUWRQLBKHODE-GOSISDBHSA-N 1 3 358.530 2.530 50 0 FFAAHO C[C@H](COc1ccccc1)[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000011754182 204415369 /nfs/dbraw/zinc/41/53/69/204415369.db2.gz IWOGEJLMFOSIAG-GOSISDBHSA-N 1 3 361.530 2.624 50 0 FFAAHO Cc1nccn1CCC1CC[NH+](C[C@]2(O)CCCN3CCCC[C@@H]32)CC1 ZINC000063882829 205295328 /nfs/dbraw/zinc/29/53/28/205295328.db2.gz UVYKEGZXUFPYHN-NHCUHLMSSA-N 1 3 360.546 2.673 50 0 FFAAHO CN(C)Cc1ccc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)nc1 ZINC000095371535 132208711 /nfs/dbraw/zinc/20/87/11/132208711.db2.gz RCJJHXJZYMKLKS-UHFFFAOYSA-N 1 3 370.545 2.675 50 0 FFAAHO Cc1cc(N2CCN(C(=O)CN3CC[C@@H](c4ccccc4)C3)CC2)cc[nH+]1 ZINC000220537736 132275837 /nfs/dbraw/zinc/27/58/37/132275837.db2.gz XCVNFJIBTSQOAP-HXUWFJFHSA-N 1 3 364.493 2.528 50 0 FFAAHO CCCC(=O)C1CCN([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000019836281 507203600 /nfs/dbraw/zinc/20/36/00/507203600.db2.gz VOCRQXAWCPMWCA-RTWAWAEBSA-N 1 3 356.510 2.805 50 0 FFAAHO O=C([C@H]1CCCN(C2CC[NH+](CCCn3cccc3)CC2)C1)N1CCCC1 ZINC000071750025 507709917 /nfs/dbraw/zinc/70/99/17/507709917.db2.gz GJPYWGQDQDXZMV-FQEVSTJZSA-N 1 3 372.557 2.677 50 0 FFAAHO CN1CC[C@H](c2nc(COc3ccccc3)nn2C2CC[NH+](C)CC2)C1 ZINC000095531684 508196965 /nfs/dbraw/zinc/19/69/65/508196965.db2.gz MFWFFWFQTBGXTQ-INIZCTEOSA-N 1 3 355.486 2.543 50 0 FFAAHO O=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000426444865 513942795 /nfs/dbraw/zinc/94/27/95/513942795.db2.gz DCFPSZLWQAZTEV-FQEVSTJZSA-N 1 3 370.541 2.999 50 0 FFAAHO CCC[NH+]1CCC(N2CCN(CCCc3ccccc3)[C@@H](CCO)C2)CC1 ZINC000020455256 519844538 /nfs/dbraw/zinc/84/45/38/519844538.db2.gz VNQFJRSHXRQEBM-QHCPKHFHSA-N 1 3 373.585 2.862 50 0 FFAAHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3ccc(Cl)cn23)C[C@@H](C)O1 ZINC000078868884 524943229 /nfs/dbraw/zinc/94/32/29/524943229.db2.gz AMALVYRXJSBSOG-HUUCEWRRSA-N 1 3 350.894 2.967 50 0 FFAAHO O[C@H]1[C@H](NCCOCc2ccccc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072165171 1019837935 /nfs/dbraw/zinc/83/79/35/1019837935.db2.gz HGURDWUCWBVHDL-RTWAWAEBSA-N 1 3 352.478 2.530 50 0 FFAAHO Cc1nccn1-c1ccccc1CNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063834376 205293969 /nfs/dbraw/zinc/29/39/69/205293969.db2.gz FYAQTWPRVOSODZ-NHCUHLMSSA-N 1 3 354.498 2.650 50 0 FFAAHO Cc1nccn1-c1ccccc1CNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063834376 205293973 /nfs/dbraw/zinc/29/39/73/205293973.db2.gz FYAQTWPRVOSODZ-NHCUHLMSSA-N 1 3 354.498 2.650 50 0 FFAAHO Cc1nccn1-c1ccccc1C[NH2+]C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063834376 205293976 /nfs/dbraw/zinc/29/39/76/205293976.db2.gz FYAQTWPRVOSODZ-NHCUHLMSSA-N 1 3 354.498 2.650 50 0 FFAAHO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000007346265 506554652 /nfs/dbraw/zinc/55/46/52/506554652.db2.gz SLCWQNRLCOQURR-ROUUACIJSA-N 1 3 358.530 2.745 50 0 FFAAHO COc1cc(CN2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)cc(OC)c1 ZINC000072154890 507762825 /nfs/dbraw/zinc/76/28/25/507762825.db2.gz BIAFFTRPQFBCDF-RTWAWAEBSA-N 1 3 368.477 2.612 50 0 FFAAHO O=C1CC[C@H]2CN(Cc3ccccc3F)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072473149 507795700 /nfs/dbraw/zinc/79/57/00/507795700.db2.gz HMVSLHCIEODRME-AZUAARDMSA-N 1 3 359.489 2.638 50 0 FFAAHO CN(C)CCOc1ccccc1-c1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000534652324 517982948 /nfs/dbraw/zinc/98/29/48/517982948.db2.gz JSMYBMUXJITFPE-QGZVFWFLSA-N 1 3 367.493 2.715 50 0 FFAAHO CCCN1CC[C@@H](NC(=O)N2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000584891510 518526171 /nfs/dbraw/zinc/52/61/71/518526171.db2.gz GMSVZFPJHWUFBT-LJQANCHMSA-N 1 3 358.530 2.777 50 0 FFAAHO CCCN1CC[C@@H](NC(=O)N2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000584891510 518526179 /nfs/dbraw/zinc/52/61/79/518526179.db2.gz GMSVZFPJHWUFBT-LJQANCHMSA-N 1 3 358.530 2.777 50 0 FFAAHO OC[C@H]1C[N@H+](Cc2ccccc2)CC12CCN(Cc1ccncc1)CC2 ZINC000169750489 984951609 /nfs/dbraw/zinc/95/16/09/984951609.db2.gz CORCPRWVSRGSJX-OAQYLSRUSA-N 1 3 351.494 2.788 50 0 FFAAHO OC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCN(Cc1ccncc1)CC2 ZINC000169750489 984951610 /nfs/dbraw/zinc/95/16/10/984951610.db2.gz CORCPRWVSRGSJX-OAQYLSRUSA-N 1 3 351.494 2.788 50 0 FFAAHO O=C([C@@H]1CCCN(C2CC[NH+](CCCn3cccc3)CC2)C1)N1CCCC1 ZINC000071750026 507710443 /nfs/dbraw/zinc/71/04/43/507710443.db2.gz GJPYWGQDQDXZMV-HXUWFJFHSA-N 1 3 372.557 2.677 50 0 FFAAHO Cc1ccccc1-c1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000072255161 507771854 /nfs/dbraw/zinc/77/18/54/507771854.db2.gz LDUWPWUUJVWHPM-UHFFFAOYSA-N 1 3 360.527 2.684 50 0 FFAAHO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCCC3)C2)c2ccccc12 ZINC000091746347 508007561 /nfs/dbraw/zinc/00/75/61/508007561.db2.gz RQQOADUHZMSSAF-RTBURBONSA-N 1 3 354.494 2.985 50 0 FFAAHO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCCC3)C2)c2ccccc12 ZINC000091746347 508007562 /nfs/dbraw/zinc/00/75/62/508007562.db2.gz RQQOADUHZMSSAF-RTBURBONSA-N 1 3 354.494 2.985 50 0 FFAAHO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CN2CCC3(CCCC3)C2)c1 ZINC000095506719 508191977 /nfs/dbraw/zinc/19/19/77/508191977.db2.gz WFYJIUONXQKFGR-SFHVURJKSA-N 1 3 362.514 2.763 50 0 FFAAHO CN1CC[C@@H](c2nc(COc3ccccc3)nn2C2CC[NH+](C)CC2)C1 ZINC000095531683 508197170 /nfs/dbraw/zinc/19/71/70/508197170.db2.gz MFWFFWFQTBGXTQ-MRXNPFEDSA-N 1 3 355.486 2.543 50 0 FFAAHO Cc1cc(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)nc(N)[nH+]1 ZINC000082121023 508226089 /nfs/dbraw/zinc/22/60/89/508226089.db2.gz GGBOSGQYBOHXRA-UHFFFAOYSA-N 1 3 355.490 2.714 50 0 FFAAHO CN1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000426479083 513951860 /nfs/dbraw/zinc/95/18/60/513951860.db2.gz YBFHSUBBWSOTNO-FQEVSTJZSA-N 1 3 358.530 2.951 50 0 FFAAHO O[C@@H]1CN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@H]1Cc1ccccn1 ZINC001529189513 1062212884 /nfs/dbraw/zinc/21/28/84/1062212884.db2.gz PSLRHHWBHLPYLC-YLJYHZDGSA-N 1 3 357.523 2.774 50 0 FFAAHO O[C@@H]1C[N@H+](Cc2cc(CN3CCCC3)cs2)C[C@H]1Cc1ccccn1 ZINC001529189513 1062212908 /nfs/dbraw/zinc/21/29/08/1062212908.db2.gz PSLRHHWBHLPYLC-YLJYHZDGSA-N 1 3 357.523 2.774 50 0 FFAAHO O[C@@H]1C[N@@H+](Cc2cc(CN3CCCC3)cs2)C[C@H]1Cc1ccccn1 ZINC001529189513 1062212928 /nfs/dbraw/zinc/21/29/28/1062212928.db2.gz PSLRHHWBHLPYLC-YLJYHZDGSA-N 1 3 357.523 2.774 50 0 FFAAHO Cc1cc(C)c(-n2cccn2)c(CN2CCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067770043 205388831 /nfs/dbraw/zinc/38/88/31/205388831.db2.gz WDQZOUCRXDFBIZ-UHFFFAOYSA-N 1 3 367.541 2.701 50 0 FFAAHO COc1ccc(CCNC(=[NH2+])NCCCN(C)Cc2ccccc2)cc1 ZINC000057752214 206389441 /nfs/dbraw/zinc/38/94/41/206389441.db2.gz LMFPUJCRIJCGHU-UHFFFAOYSA-N 1 3 354.498 2.874 50 0 FFAAHO COc1ccc(C[N@H+](C)C(C)C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000015072241 507016326 /nfs/dbraw/zinc/01/63/26/507016326.db2.gz PBVKKBSRMJMXIL-SFHVURJKSA-N 1 3 350.503 2.761 50 0 FFAAHO COc1ccc(C[N@@H+](C)C(C)C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000015072241 507016333 /nfs/dbraw/zinc/01/63/33/507016333.db2.gz PBVKKBSRMJMXIL-SFHVURJKSA-N 1 3 350.503 2.761 50 0 FFAAHO O=C(NCc1ccccn1)[C@@H]1CCCN(C2CC[NH+](CC3CCC3)CC2)C1 ZINC000071774694 507714885 /nfs/dbraw/zinc/71/48/85/507714885.db2.gz IIVVHUVBQMVDFE-LJQANCHMSA-N 1 3 370.541 2.674 50 0 FFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cnc(C)c(C)c1)CC[NH+](C)CC2 ZINC000072419318 507786971 /nfs/dbraw/zinc/78/69/71/507786971.db2.gz PDAZHARJCUGPKH-LJQANCHMSA-N 1 3 358.530 2.511 50 0 FFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1cccc(F)c1F)CC[NH+](C)CC2 ZINC000072476349 507796127 /nfs/dbraw/zinc/79/61/27/507796127.db2.gz BPFCDQIPBYLRKR-KRWDZBQOSA-N 1 3 365.468 2.777 50 0 FFAAHO CN(C)Cc1csc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000092062406 508039350 /nfs/dbraw/zinc/03/93/50/508039350.db2.gz TWOZUIYCJZKEBJ-RTBURBONSA-N 1 3 365.587 2.726 50 0 FFAAHO O[C@H](COc1cccc(CN2CCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095525219 508195724 /nfs/dbraw/zinc/19/57/24/508195724.db2.gz WYZFQEUBGAQTOK-NRFANRHFSA-N 1 3 352.478 2.690 50 0 FFAAHO O[C@H](COc1cccc(CN2CCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000095525219 508195728 /nfs/dbraw/zinc/19/57/28/508195728.db2.gz WYZFQEUBGAQTOK-NRFANRHFSA-N 1 3 352.478 2.690 50 0 FFAAHO COCc1nc(N[C@H]2CCN(Cc3ccccc3)C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244707998 509865128 /nfs/dbraw/zinc/86/51/28/509865128.db2.gz KLQSKZNEAQIBDH-KSZLIROESA-N 1 3 367.497 2.514 50 0 FFAAHO CN1CCN(CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000253370721 509873821 /nfs/dbraw/zinc/87/38/21/509873821.db2.gz VEJWDYSFSQTDRY-WBDAEOGXSA-N 1 3 370.585 2.799 50 0 FFAAHO c1sc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1CN1CCCC1 ZINC000827603760 999510781 /nfs/dbraw/zinc/51/07/81/999510781.db2.gz UUSFUMNANJDATO-GOSISDBHSA-N 1 3 363.571 2.888 50 0 FFAAHO c1sc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1CN1CCCC1 ZINC000827603760 999510783 /nfs/dbraw/zinc/51/07/83/999510783.db2.gz UUSFUMNANJDATO-GOSISDBHSA-N 1 3 363.571 2.888 50 0 FFAAHO CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072410315 507785667 /nfs/dbraw/zinc/78/56/67/507785667.db2.gz HHQYNXOEFFZVHW-FQEVSTJZSA-N 1 3 351.494 2.872 50 0 FFAAHO Cc1ccc(C)c(OCCCN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072424837 507788318 /nfs/dbraw/zinc/78/83/18/507788318.db2.gz PQDCZTMUVQUMRS-IBGZPJMESA-N 1 3 373.541 2.605 50 0 FFAAHO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1CN1CCCC1 ZINC000426525837 513969675 /nfs/dbraw/zinc/96/96/75/513969675.db2.gz HMJRQMAPXYMORV-INIZCTEOSA-N 1 3 365.905 2.768 50 0 FFAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCCc3cccs3)C2)CC1 ZINC000011998620 727813014 /nfs/dbraw/zinc/81/30/14/727813014.db2.gz QNTRBBROEOHCOX-QGZVFWFLSA-N 1 3 363.571 2.992 50 0 FFAAHO CC(C)C[C@@]1(CO)N[C@H](c2cncn2C)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000065497469 205355540 /nfs/dbraw/zinc/35/55/40/205355540.db2.gz ZTZWTECXCPSONW-WAGURGNTSA-N 1 3 368.525 2.590 50 0 FFAAHO CC(C)C[C@@]1(CO)N[C@H](c2cncn2C)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000065497469 205355545 /nfs/dbraw/zinc/35/55/45/205355545.db2.gz ZTZWTECXCPSONW-WAGURGNTSA-N 1 3 368.525 2.590 50 0 FFAAHO Cc1cc(N2CCC([NH2+]CC3(N4CCCC4)CCCCC3)CC2)nc(N)n1 ZINC000095372796 132208915 /nfs/dbraw/zinc/20/89/15/132208915.db2.gz QJKNKNWZMSQMET-UHFFFAOYSA-N 1 3 372.561 2.724 50 0 FFAAHO CCn1ccc2c1cccc2CN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000216523583 132271493 /nfs/dbraw/zinc/27/14/93/132271493.db2.gz XXZOVXSNBBEMTP-UHFFFAOYSA-N 1 3 350.470 2.664 50 0 FFAAHO CCn1ccc2c1cccc2C[NH+]1CCN(c2cc(C)nc(N)n2)CC1 ZINC000216523583 132271494 /nfs/dbraw/zinc/27/14/94/132271494.db2.gz XXZOVXSNBBEMTP-UHFFFAOYSA-N 1 3 350.470 2.664 50 0 FFAAHO COc1ccc(CN(C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cc1 ZINC000020860478 507235210 /nfs/dbraw/zinc/23/52/10/507235210.db2.gz AEZOTHZAUBOAOE-RTWAWAEBSA-N 1 3 352.478 2.864 50 0 FFAAHO CN1CCN([C@@H](CNC2CC(C)(C)[NH2+]C(C)(C)C2)c2cccs2)CC1 ZINC000022788477 507311742 /nfs/dbraw/zinc/31/17/42/507311742.db2.gz UKLKAHBZLPCCKT-KRWDZBQOSA-N 1 3 364.603 2.935 50 0 FFAAHO CCCN1CC2(C[C@H]1C(=O)NCc1cnc(C)c(C)c1)CC[NH+](C)CC2 ZINC000072419319 507786715 /nfs/dbraw/zinc/78/67/15/507786715.db2.gz PDAZHARJCUGPKH-IBGZPJMESA-N 1 3 358.530 2.511 50 0 FFAAHO COCCCN(C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1)C1CCN(C)CC1 ZINC000095363120 508176964 /nfs/dbraw/zinc/17/69/64/508176964.db2.gz VGOWVOHXSOJNBN-FQEVSTJZSA-N 1 3 373.541 2.727 50 0 FFAAHO COc1ccccc1NC(=O)CCN1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000252502637 509845787 /nfs/dbraw/zinc/84/57/87/509845787.db2.gz USDPHZNFKQXPDB-UHFFFAOYSA-N 1 3 368.481 2.940 50 0 FFAAHO c1cncc(-c2nc3c(c(NCCC45CCC[NH+]4CCC5)n2)CCNC3)c1 ZINC000067771790 205390953 /nfs/dbraw/zinc/39/09/53/205390953.db2.gz FEOLRTSORHSFJE-UHFFFAOYSA-N 1 3 364.497 2.615 50 0 FFAAHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000107051162 206016661 /nfs/dbraw/zinc/01/66/61/206016661.db2.gz JXHHNFGWTDIXLS-QRVBRYPASA-N 1 3 365.562 2.504 50 0 FFAAHO c1ccc(CN2CCCO[C@@H](CN3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000170616853 206276344 /nfs/dbraw/zinc/27/63/44/206276344.db2.gz TYWYNSCZJLXCTE-FGZHOGPDSA-N 1 3 357.542 2.695 50 0 FFAAHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000216073968 206354239 /nfs/dbraw/zinc/35/42/39/206354239.db2.gz GZUGFCQEBJOBMZ-LJQANCHMSA-N 1 3 367.541 2.845 50 0 FFAAHO CCN(C)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011759158 506793020 /nfs/dbraw/zinc/79/30/20/506793020.db2.gz HCDJXPURGSBPTH-HXUWFJFHSA-N 1 3 369.553 2.809 50 0 FFAAHO C[N@H+](CCNC(=O)C1CCN(Cc2cccnc2)CC1)Cc1ccccc1 ZINC000072294942 507772415 /nfs/dbraw/zinc/77/24/15/507772415.db2.gz CQNJVKBWPRVYOL-UHFFFAOYSA-N 1 3 366.509 2.542 50 0 FFAAHO C[N@@H+](CCNC(=O)C1CCN(Cc2cccnc2)CC1)Cc1ccccc1 ZINC000072294942 507772419 /nfs/dbraw/zinc/77/24/19/507772419.db2.gz CQNJVKBWPRVYOL-UHFFFAOYSA-N 1 3 366.509 2.542 50 0 FFAAHO CN1CC2(C[C@@H]1C(=O)NCCc1cccc3ccccc31)CC[NH2+]CC2 ZINC000072412137 507786107 /nfs/dbraw/zinc/78/61/07/507786107.db2.gz ZYWDCWJYZOILCU-HXUWFJFHSA-N 1 3 351.494 2.572 50 0 FFAAHO OC1CC[NH+](C2CCN(Cc3cc(CN4CCCC4)cs3)CC2)CC1 ZINC000072463677 507794837 /nfs/dbraw/zinc/79/48/37/507794837.db2.gz FETKKGXYTYNMOD-UHFFFAOYSA-N 1 3 363.571 2.765 50 0 FFAAHO CCN1CC2(CC[NH+](C3CCNCC3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091713775 508005077 /nfs/dbraw/zinc/00/50/77/508005077.db2.gz AKCXYBXXIMWXKJ-HXUWFJFHSA-N 1 3 355.526 2.857 50 0 FFAAHO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000095943567 508198816 /nfs/dbraw/zinc/19/88/16/508198816.db2.gz BJOOBJUJSMSNNV-PSHVLCQKSA-N 1 3 374.525 2.579 50 0 FFAAHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(N2CCSCC2)CC1 ZINC000097822974 508230242 /nfs/dbraw/zinc/23/02/42/508230242.db2.gz XUSYOYDDLVVLEG-UHFFFAOYSA-N 1 3 373.566 2.936 50 0 FFAAHO Cc1nc2ccccc2nc1CN1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077387859 508308649 /nfs/dbraw/zinc/30/86/49/508308649.db2.gz XHDGHIXTFQZMSC-GOSISDBHSA-N 1 3 367.541 2.786 50 0 FFAAHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ccc(F)cc1F ZINC000252586530 509854577 /nfs/dbraw/zinc/85/45/77/509854577.db2.gz QRMWNZWYSRBYOG-QGPMSJSTSA-N 1 3 354.441 2.823 50 0 FFAAHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCOc1ccc(F)cc1F ZINC000252586530 509854586 /nfs/dbraw/zinc/85/45/86/509854586.db2.gz QRMWNZWYSRBYOG-QGPMSJSTSA-N 1 3 354.441 2.823 50 0 FFAAHO CC[NH+]1CCC(CC(=O)N[C@@H]2CCN(C)C[C@@H]2Cc2ccccc2)CC1 ZINC000095372795 209035004 /nfs/dbraw/zinc/03/50/04/209035004.db2.gz YPKAWZWUYJELLY-LEWJYISDSA-N 1 3 357.542 2.788 50 0 FFAAHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc(Cl)c1OC ZINC000095425790 209048946 /nfs/dbraw/zinc/04/89/46/209048946.db2.gz NIJHGJQMWROFFO-IRXDYDNUSA-N 1 3 368.905 2.825 50 0 FFAAHO CCN1CCN(CC[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000058363285 507409384 /nfs/dbraw/zinc/40/93/84/507409384.db2.gz RQKHXADAPXADFL-UHFFFAOYSA-N 1 3 367.497 2.560 50 0 FFAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3[nH]c4ccccc4c3C)CC[C@H]21 ZINC000072426806 507788867 /nfs/dbraw/zinc/78/88/67/507788867.db2.gz ZYRWDILAQNEWGU-OXJNMPFZSA-N 1 3 354.498 2.509 50 0 FFAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1cccc(OC)c1)CC[NH+](C)CC2 ZINC000072476964 507796424 /nfs/dbraw/zinc/79/64/24/507796424.db2.gz DJQSNHHZKFYPAK-HXUWFJFHSA-N 1 3 373.541 2.550 50 0 FFAAHO COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1C ZINC000091781045 508012548 /nfs/dbraw/zinc/01/25/48/508012548.db2.gz VKGXFVHFYBGHAD-UHFFFAOYSA-N 1 3 373.541 2.770 50 0 FFAAHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)nc3ccccn32)C[C@H](C)O1 ZINC000237608079 509688348 /nfs/dbraw/zinc/68/83/48/509688348.db2.gz NAYRYFUOPYNRMS-GASCZTMLSA-N 1 3 350.894 2.967 50 0 FFAAHO O=C(NC1CC1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(CCc2ccccc2)C1 ZINC000014744967 1021680948 /nfs/dbraw/zinc/68/09/48/1021680948.db2.gz UVKFCDZWEUWUQU-WOJBJXKFSA-N 1 3 355.526 2.542 50 0 FFAAHO CC(C)[C@@H]1CN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@H]1[NH+](C)C ZINC000095369884 209033061 /nfs/dbraw/zinc/03/30/61/209033061.db2.gz WGOGTTKVXFRXOB-VQTJNVASSA-N 1 3 357.542 2.695 50 0 FFAAHO Cc1cc(N2CCC([NH2+]CC3(COc4ccccc4)CC3)CC2)nc(N)n1 ZINC000095355301 132207327 /nfs/dbraw/zinc/20/73/27/132207327.db2.gz NRXNQUIKVBKWSD-UHFFFAOYSA-N 1 3 367.497 2.785 50 0 FFAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC1 ZINC000012612678 506883846 /nfs/dbraw/zinc/88/38/46/506883846.db2.gz KXBLBLIXXSQYQJ-KRWDZBQOSA-N 1 3 361.505 2.838 50 0 FFAAHO Cc1cccc(OCC(=O)N2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)c1C ZINC000072143799 507756508 /nfs/dbraw/zinc/75/65/08/507756508.db2.gz KTTQQHPEMCJWLU-LJQANCHMSA-N 1 3 361.530 2.557 50 0 FFAAHO Cc1cccc(OCC(=O)N2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)c1C ZINC000072143799 507756510 /nfs/dbraw/zinc/75/65/10/507756510.db2.gz KTTQQHPEMCJWLU-LJQANCHMSA-N 1 3 361.530 2.557 50 0 FFAAHO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](C3CCNCC3)CC2)CN1C1CC1 ZINC000091526460 507991635 /nfs/dbraw/zinc/99/16/35/507991635.db2.gz QUGMUQRSGLUOTI-OAQYLSRUSA-N 1 3 367.537 2.999 50 0 FFAAHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000076017685 508151850 /nfs/dbraw/zinc/15/18/50/508151850.db2.gz JXHHNFGWTDIXLS-GUDVDZBRSA-N 1 3 365.562 2.504 50 0 FFAAHO CCN1CCN(Cc2cc(C)cc(C[N@H+](C)CCn3ccnc3)c2C)CC1 ZINC000215842301 509252885 /nfs/dbraw/zinc/25/28/85/509252885.db2.gz JNLPULUSYDGRHA-UHFFFAOYSA-N 1 3 369.557 2.769 50 0 FFAAHO CCN1CCN(Cc2cc(C)cc(C[N@@H+](C)CCn3ccnc3)c2C)CC1 ZINC000215842301 509252890 /nfs/dbraw/zinc/25/28/90/509252890.db2.gz JNLPULUSYDGRHA-UHFFFAOYSA-N 1 3 369.557 2.769 50 0 FFAAHO CCN1CCC([N@H+](C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)CC1 ZINC000216056020 509256161 /nfs/dbraw/zinc/25/61/61/509256161.db2.gz XFXNBBUJYNNXIW-UHFFFAOYSA-N 1 3 372.601 2.967 50 0 FFAAHO CCN1CCC([N@@H+](C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)CC1 ZINC000216056020 509256165 /nfs/dbraw/zinc/25/61/65/509256165.db2.gz XFXNBBUJYNNXIW-UHFFFAOYSA-N 1 3 372.601 2.967 50 0 FFAAHO [NH3+][C@H]1C[C@H](c2nnc(CNCCc3c[nH]c4ccccc34)n2C2CC2)C1 ZINC000244673710 509864031 /nfs/dbraw/zinc/86/40/31/509864031.db2.gz HUICPAHGYJJALT-SHTZXODSSA-N 1 3 350.470 2.631 50 0 FFAAHO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCCN1CCC(c2ccccc2)CC1 ZINC000244795387 509872447 /nfs/dbraw/zinc/87/24/47/509872447.db2.gz RFLSYRJTWMDHQE-NQIIRXRSSA-N 1 3 355.526 2.857 50 0 FFAAHO O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)NCCN1CCC(c2ccccc2)CC1 ZINC000244795387 509872454 /nfs/dbraw/zinc/87/24/54/509872454.db2.gz RFLSYRJTWMDHQE-NQIIRXRSSA-N 1 3 355.526 2.857 50 0 FFAAHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@@H](Cc2ccccc2)C1 ZINC000426438917 513940775 /nfs/dbraw/zinc/94/07/75/513940775.db2.gz RDULQGHQXSHKJE-LEWJYISDSA-N 1 3 366.509 2.508 50 0 FFAAHO COC[C@@H]1CN(Cc2ccc(OC)c(OC)c2Cl)CC12CC[NH2+]CC2 ZINC000169782385 728982671 /nfs/dbraw/zinc/98/26/71/728982671.db2.gz KWGAJGYFYMFFSC-HNNXBMFYSA-N 1 3 368.905 2.805 50 0 FFAAHO CC(C)[NH2+]Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000012749588 988380883 /nfs/dbraw/zinc/38/08/83/988380883.db2.gz JHYZNVASBYJPNO-NRFANRHFSA-N 1 3 354.494 2.983 50 0 FFAAHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2N2CCOCC2)C[C@@H](C)O1 ZINC000066990492 132306080 /nfs/dbraw/zinc/30/60/80/132306080.db2.gz QDGPOTIPWBFZRA-RTBURBONSA-N 1 3 361.530 2.502 50 0 FFAAHO COCC[NH+]1CCC(CN2CCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000065383068 506290969 /nfs/dbraw/zinc/29/09/69/506290969.db2.gz IZISVZCEIRHFQP-UHFFFAOYSA-N 1 3 372.513 2.617 50 0 FFAAHO CCCS(=O)(=O)C(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000055136764 506685199 /nfs/dbraw/zinc/68/51/99/506685199.db2.gz SUEJCDUUBNMTJT-INIZCTEOSA-N 1 3 366.527 2.502 50 0 FFAAHO CC[NH+]1CCC(N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000022851582 507314646 /nfs/dbraw/zinc/31/46/46/507314646.db2.gz RVTUOWUVRAFNHI-FQEVSTJZSA-N 1 3 374.548 2.896 50 0 FFAAHO CC(C)C[N@H+](C)CCCN1CC2(CCN([C@H]3CCSC3)CC2)OC1=O ZINC000072410661 507785680 /nfs/dbraw/zinc/78/56/80/507785680.db2.gz XYRJNPDSELETSI-KRWDZBQOSA-N 1 3 369.575 2.757 50 0 FFAAHO CC(C)C[N@@H+](C)CCCN1CC2(CCN([C@H]3CCSC3)CC2)OC1=O ZINC000072410661 507785682 /nfs/dbraw/zinc/78/56/82/507785682.db2.gz XYRJNPDSELETSI-KRWDZBQOSA-N 1 3 369.575 2.757 50 0 FFAAHO c1coc([C@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)N2CCCC2)c1 ZINC000072418562 507786025 /nfs/dbraw/zinc/78/60/25/507786025.db2.gz LXLRXFHIWUPHNQ-SFHVURJKSA-N 1 3 366.469 2.670 50 0 FFAAHO COc1ccc(C[NH+]2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)cc1 ZINC000091707795 508004241 /nfs/dbraw/zinc/00/42/41/508004241.db2.gz XCICATBMCQUHRB-LJQANCHMSA-N 1 3 371.525 2.604 50 0 FFAAHO O=C([C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC1 ZINC000091713406 508005178 /nfs/dbraw/zinc/00/51/78/508005178.db2.gz YRCPGVWUOVDIIQ-HXUWFJFHSA-N 1 3 367.537 2.563 50 0 FFAAHO c1ccc(CN2CCCO[C@@H](CN3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000252516537 526467522 /nfs/dbraw/zinc/46/75/22/526467522.db2.gz TYWYNSCZJLXCTE-FCHUYYIVSA-N 1 3 357.542 2.695 50 0 FFAAHO CSCCC[N@@H+]1CCC2(CCN(Cc3cccnc3)CC2)[C@@H](CO)C1 ZINC000097522132 209183735 /nfs/dbraw/zinc/18/37/35/209183735.db2.gz KEKJKXZQKHFLGU-LJQANCHMSA-N 1 3 363.571 2.731 50 0 FFAAHO CSCCC[N@H+]1CCC2(CCN(Cc3cccnc3)CC2)[C@@H](CO)C1 ZINC000097522132 209183742 /nfs/dbraw/zinc/18/37/42/209183742.db2.gz KEKJKXZQKHFLGU-LJQANCHMSA-N 1 3 363.571 2.731 50 0 FFAAHO CC(C)CC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000011820925 207323840 /nfs/dbraw/zinc/32/38/40/207323840.db2.gz WMWRPSRPPIWDOC-IBGZPJMESA-N 1 3 372.557 2.920 50 0 FFAAHO CC(=O)c1cccc(CN2CCC(CCC(=O)NCC[NH+](C)C)CC2)c1 ZINC000012718081 506892624 /nfs/dbraw/zinc/89/26/24/506892624.db2.gz AGFIEVCQJZJFAO-UHFFFAOYSA-N 1 3 359.514 2.559 50 0 FFAAHO CCCC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067642276 506960249 /nfs/dbraw/zinc/96/02/49/506960249.db2.gz NZTRVUVZSFJPBA-SFHVURJKSA-N 1 3 358.530 2.674 50 0 FFAAHO Cc1nc(NC[C@@H]2Cc3ccccc3CN2C)cc(C2CC[NH2+]CC2)n1 ZINC000067654186 506963969 /nfs/dbraw/zinc/96/39/69/506963969.db2.gz MLCPDNKAEXJBPX-IBGZPJMESA-N 1 3 351.498 2.721 50 0 FFAAHO COc1ccccc1/C=C/CN1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000023582086 507360344 /nfs/dbraw/zinc/36/03/44/507360344.db2.gz FQIHOQAISCRDHQ-SOFGYWHQSA-N 1 3 355.486 2.831 50 0 FFAAHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCCN(Cc2cccs2)CC1 ZINC000058214719 507386224 /nfs/dbraw/zinc/38/62/24/507386224.db2.gz YNMUQXVHTHTDEQ-HXUWFJFHSA-N 1 3 373.566 2.749 50 0 FFAAHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCCN(Cc2cccs2)CC1 ZINC000058214719 507386232 /nfs/dbraw/zinc/38/62/32/507386232.db2.gz YNMUQXVHTHTDEQ-HXUWFJFHSA-N 1 3 373.566 2.749 50 0 FFAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000072154581 507762875 /nfs/dbraw/zinc/76/28/75/507762875.db2.gz SZNGHOKDMQFBKQ-GOSISDBHSA-N 1 3 358.530 2.533 50 0 FFAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000072154581 507762879 /nfs/dbraw/zinc/76/28/79/507762879.db2.gz SZNGHOKDMQFBKQ-GOSISDBHSA-N 1 3 358.530 2.533 50 0 FFAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1ccc(OC)cc1)CC[NH+](C)CC2 ZINC000072407022 507783729 /nfs/dbraw/zinc/78/37/29/507783729.db2.gz PWQMSHYGEGHMSF-HXUWFJFHSA-N 1 3 373.541 2.850 50 0 FFAAHO CCCN1CC2(C[C@@H]1C(=O)NC1(c3ccccc3)CC1)CC[NH+](C)CC2 ZINC000072480424 507797906 /nfs/dbraw/zinc/79/79/06/507797906.db2.gz CYGDPRSOAMAUJK-LJQANCHMSA-N 1 3 355.526 2.988 50 0 FFAAHO Cc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@H](CO)[C@H](CN2CCCCC2)C1 ZINC000091493911 507990015 /nfs/dbraw/zinc/99/00/15/507990015.db2.gz AVDUICDOTGWBTN-NHCUHLMSSA-N 1 3 368.525 2.707 50 0 FFAAHO Cc1cc(-n2cccn2)ccc1C[N@H+]1C[C@H](CO)[C@H](CN2CCCCC2)C1 ZINC000091493911 507990018 /nfs/dbraw/zinc/99/00/18/507990018.db2.gz AVDUICDOTGWBTN-NHCUHLMSSA-N 1 3 368.525 2.707 50 0 FFAAHO OCCn1ccc([C@H]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000426372539 513919415 /nfs/dbraw/zinc/91/94/15/513919415.db2.gz YGZPKQBZSMMCCN-FQEVSTJZSA-N 1 3 368.525 2.719 50 0 FFAAHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000426492801 513958561 /nfs/dbraw/zinc/95/85/61/513958561.db2.gz LYNHXOXWRHTOTB-FQEVSTJZSA-N 1 3 370.541 2.921 50 0 FFAAHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000426492801 513958562 /nfs/dbraw/zinc/95/85/62/513958562.db2.gz LYNHXOXWRHTOTB-FQEVSTJZSA-N 1 3 370.541 2.921 50 0 FFAAHO COc1ccc2c(c1)CCN([C@@H]1c3ccccc3C3(CC[NH2+]CC3)[C@H]1O)C2 ZINC000023580836 969470305 /nfs/dbraw/zinc/47/03/05/969470305.db2.gz KYHOQHPMFULQDN-YADHBBJMSA-N 1 3 364.489 2.790 50 0 FFAAHO CC(C)[NH2+]Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000012749594 988381594 /nfs/dbraw/zinc/38/15/94/988381594.db2.gz JHYZNVASBYJPNO-OAQYLSRUSA-N 1 3 354.494 2.983 50 0 FFAAHO C[C@H]1CCC(=O)N1c1ccc(N2CCC(N3CCC([NH3+])CC3)CC2)cc1 ZINC000063872213 991719361 /nfs/dbraw/zinc/71/93/61/991719361.db2.gz MNVDIELHRHAZNU-INIZCTEOSA-N 1 3 356.514 2.594 50 0 FFAAHO CCC[NH+]1CCC(N2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)CC1 ZINC001529126376 1062178034 /nfs/dbraw/zinc/17/80/34/1062178034.db2.gz HWPNNJPHSCUHIO-XMSQKQJNSA-N 1 3 353.510 2.944 50 0 FFAAHO COCCC[NH2+]Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000011839819 207323863 /nfs/dbraw/zinc/32/38/63/207323863.db2.gz NHHWSMPAQHYFTA-NRFANRHFSA-N 1 3 372.509 2.684 50 0 FFAAHO Cc1cc(F)ccc1N1CCC(NCc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000082138839 132197127 /nfs/dbraw/zinc/19/71/27/132197127.db2.gz IWWAMRLLZOFXIW-UHFFFAOYSA-N 1 3 357.477 2.583 50 0 FFAAHO Cc1nc(NCCN2CCc3ccccc3C2)cc(C2CC[NH2+]CC2)n1 ZINC000067696784 506977722 /nfs/dbraw/zinc/97/77/22/506977722.db2.gz TXNDMAKUWRCWDK-UHFFFAOYSA-N 1 3 351.498 2.722 50 0 FFAAHO CN(C)c1cccc(CN[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000072156802 507763243 /nfs/dbraw/zinc/76/32/43/507763243.db2.gz UWSMCEOEHQQACD-RTWAWAEBSA-N 1 3 351.494 2.579 50 0 FFAAHO c1c(CN2CCC[N@@H+](CCCc3ccccc3)CC2)nn2c1CNCCC2 ZINC000072158283 507764070 /nfs/dbraw/zinc/76/40/70/507764070.db2.gz SOUFEEGXHRPHCD-UHFFFAOYSA-N 1 3 367.541 2.517 50 0 FFAAHO c1c(CN2CCC[N@H+](CCCc3ccccc3)CC2)nn2c1CNCCC2 ZINC000072158283 507764073 /nfs/dbraw/zinc/76/40/73/507764073.db2.gz SOUFEEGXHRPHCD-UHFFFAOYSA-N 1 3 367.541 2.517 50 0 FFAAHO CN1CC2(C[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1)CC[NH2+]CC2 ZINC000072454684 507793414 /nfs/dbraw/zinc/79/34/14/507793414.db2.gz PNIYJOKZTPBDQI-GOSISDBHSA-N 1 3 361.917 2.905 50 0 FFAAHO CC(C)c1ccc(OCCN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)cc1 ZINC000072478912 507796958 /nfs/dbraw/zinc/79/69/58/507796958.db2.gz QJUASXFGBAJNRU-FQEVSTJZSA-N 1 3 373.541 2.721 50 0 FFAAHO CC(C)C[N@@H+]1CC[C@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 ZINC000257194189 509953020 /nfs/dbraw/zinc/95/30/20/509953020.db2.gz STGXBNUMOLSBER-IBGZPJMESA-N 1 3 353.514 2.782 50 0 FFAAHO CC(C)C[N@H+]1CC[C@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 ZINC000257194189 509953027 /nfs/dbraw/zinc/95/30/27/509953027.db2.gz STGXBNUMOLSBER-IBGZPJMESA-N 1 3 353.514 2.782 50 0 FFAAHO CN1CCC(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)(c2ccccc2)CC1 ZINC000299780567 511679476 /nfs/dbraw/zinc/67/94/76/511679476.db2.gz OCOYGECWURCWMB-GOSISDBHSA-N 1 3 357.542 2.887 50 0 FFAAHO CN1CCC(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)(c2ccccc2)CC1 ZINC000299780567 511679479 /nfs/dbraw/zinc/67/94/79/511679479.db2.gz OCOYGECWURCWMB-GOSISDBHSA-N 1 3 357.542 2.887 50 0 FFAAHO CN1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000426479085 513952745 /nfs/dbraw/zinc/95/27/45/513952745.db2.gz YBFHSUBBWSOTNO-HXUWFJFHSA-N 1 3 358.530 2.951 50 0 FFAAHO COc1cc(CN2CCCC[C@H]2C[NH3+])ccc1OCCN1CCCCC1 ZINC000216355009 522373414 /nfs/dbraw/zinc/37/34/14/522373414.db2.gz QEWIGXGUYMBLPZ-IBGZPJMESA-N 1 3 361.530 2.873 50 0 FFAAHO Cc1ccccc1CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420820 570906223 /nfs/dbraw/zinc/90/62/23/570906223.db2.gz CJGSJMJYUQJVFN-NRFANRHFSA-N 1 3 351.494 2.982 50 0 FFAAHO Cc1ccccc1CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420820 570906224 /nfs/dbraw/zinc/90/62/24/570906224.db2.gz CJGSJMJYUQJVFN-NRFANRHFSA-N 1 3 351.494 2.982 50 0 FFAAHO CC(C)CC[NH2+][C@H]1CCc2c(sc3ncn(CCN(C)C)c(=O)c32)C1 ZINC000012332046 845023140 /nfs/dbraw/zinc/02/31/40/845023140.db2.gz AWBCWLGPTOLOPJ-AWEZNQCLSA-N 1 3 362.543 2.513 50 0 FFAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC000012473540 207383654 /nfs/dbraw/zinc/38/36/54/207383654.db2.gz UWKCEHJBKLQWKC-LJQANCHMSA-N 1 3 373.541 2.636 50 0 FFAAHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc(Cl)c1OC ZINC000095425791 209049550 /nfs/dbraw/zinc/04/95/50/209049550.db2.gz NIJHGJQMWROFFO-IAGOWNOFSA-N 1 3 368.905 2.825 50 0 FFAAHO Cc1ccc(C2(CN(C)C[C@@H]3Cc4ccccc4O3)CC[NH2+]CC2)nc1 ZINC000065410162 506295376 /nfs/dbraw/zinc/29/53/76/506295376.db2.gz VVLREIYYBILSQB-IBGZPJMESA-N 1 3 351.494 2.947 50 0 FFAAHO Cc1c[nH+]ccc1N1CCCN(CCn2c3ccccc3oc2=O)CC1 ZINC000067641686 506961033 /nfs/dbraw/zinc/96/10/33/506961033.db2.gz YOCDATWCBQYSBM-UHFFFAOYSA-N 1 3 352.438 2.510 50 0 FFAAHO CN1CCC[N@H+](C)CC12CCN(Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072418918 507786802 /nfs/dbraw/zinc/78/68/02/507786802.db2.gz JQSZYWOHHYPOMM-UHFFFAOYSA-N 1 3 373.585 2.992 50 0 FFAAHO CN1CCC[N@@H+](C)CC12CCN(Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072418918 507786805 /nfs/dbraw/zinc/78/68/05/507786805.db2.gz JQSZYWOHHYPOMM-UHFFFAOYSA-N 1 3 373.585 2.992 50 0 FFAAHO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000253419695 509881102 /nfs/dbraw/zinc/88/11/02/509881102.db2.gz RBUQBLBQZFDFNF-HXUWFJFHSA-N 1 3 374.573 2.825 50 0 FFAAHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000253419695 509881111 /nfs/dbraw/zinc/88/11/11/509881111.db2.gz RBUQBLBQZFDFNF-HXUWFJFHSA-N 1 3 374.573 2.825 50 0 FFAAHO CCCN1CC[C@H](NC(=O)N2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000584891509 518526862 /nfs/dbraw/zinc/52/68/62/518526862.db2.gz GMSVZFPJHWUFBT-IBGZPJMESA-N 1 3 358.530 2.777 50 0 FFAAHO CCCN1CC[C@H](NC(=O)N2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000584891509 518526865 /nfs/dbraw/zinc/52/68/65/518526865.db2.gz GMSVZFPJHWUFBT-IBGZPJMESA-N 1 3 358.530 2.777 50 0 FFAAHO Cc1nc(-c2ccc(CN3CCN(C)CC3)cc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097785206 209197431 /nfs/dbraw/zinc/19/74/31/209197431.db2.gz ACVRKDLCAZWLTH-UHFFFAOYSA-N 1 3 362.481 2.694 50 0 FFAAHO C[C@H](C1CC1)n1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000186801165 251264967 /nfs/dbraw/zinc/26/49/67/251264967.db2.gz GCFMIEKHIKYOPR-OAHLLOKOSA-N 1 3 374.533 2.534 50 0 FFAAHO [NH3+]CCc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cc1 ZINC000091965006 209008150 /nfs/dbraw/zinc/00/81/50/209008150.db2.gz YRRCWZXTYVDPNN-IFMALSPDSA-N 1 3 363.505 2.924 50 0 FFAAHO COc1cccc([C@@]2(CN3CCN(c4cc[nH+]c(C)c4)CC3)CCOC2)c1 ZINC000215050366 132269963 /nfs/dbraw/zinc/26/99/63/132269963.db2.gz URRKKMHJUFSFIR-JOCHJYFZSA-N 1 3 367.493 2.879 50 0 FFAAHO O=C([C@@H]1C[C@H](C[NH+]2CCCC2)CN(CCc2ccccc2)C1)N1CCCC1 ZINC000014748906 506999091 /nfs/dbraw/zinc/99/90/91/506999091.db2.gz OYOZMJMHWHRYKX-FGZHOGPDSA-N 1 3 369.553 2.885 50 0 FFAAHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1ccc(F)cc1F ZINC000252586531 509854978 /nfs/dbraw/zinc/85/49/78/509854978.db2.gz QRMWNZWYSRBYOG-UWWQBHOKSA-N 1 3 354.441 2.823 50 0 FFAAHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCOc1ccc(F)cc1F ZINC000252586531 509854985 /nfs/dbraw/zinc/85/49/85/509854985.db2.gz QRMWNZWYSRBYOG-UWWQBHOKSA-N 1 3 354.441 2.823 50 0 FFAAHO O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000244673951 509863576 /nfs/dbraw/zinc/86/35/76/509863576.db2.gz HYSFLMDAKZRNHM-FCHUYYIVSA-N 1 3 361.489 2.679 50 0 FFAAHO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCCN(C2CCCCC2)CC1 ZINC000426485978 513955145 /nfs/dbraw/zinc/95/51/45/513955145.db2.gz CLWZOYKOKQESCG-UHFFFAOYSA-N 1 3 363.477 2.644 50 0 FFAAHO Cc1ccc(C(=O)N2CCCC[C@H]2CN2CCCC2)c(OCCC[NH3+])c1 ZINC000426648204 514005146 /nfs/dbraw/zinc/00/51/46/514005146.db2.gz WBBVPWUWALPSDI-SFHVURJKSA-N 1 3 359.514 2.813 50 0 FFAAHO Cc1cccc(-c2ncc(CN3CCC[C@@](O)(C[NH+](C)C)CC3)cn2)c1 ZINC000072168280 1019837867 /nfs/dbraw/zinc/83/78/67/1019837867.db2.gz WDVNKSXMTNMNLO-NRFANRHFSA-N 1 3 354.498 2.731 50 0 FFAAHO [NH3+]C1CCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000237844922 209355727 /nfs/dbraw/zinc/35/57/27/209355727.db2.gz ABKCUFCFQIHAFE-LBPRGKRZSA-N 1 3 362.227 2.810 50 0 FFAAHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012304246 207355106 /nfs/dbraw/zinc/35/51/06/207355106.db2.gz DKKUZKSVXCEDAF-SFHVURJKSA-N 1 3 372.557 2.920 50 0 FFAAHO CSCCN1CCC(NC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000095369947 209032997 /nfs/dbraw/zinc/03/29/97/209032997.db2.gz PZFYMDBAKYJORG-SFHVURJKSA-N 1 3 361.555 2.711 50 0 FFAAHO Cc1ccc([C@H](C[NH2+]C2CCN(c3cc(C)nc(N)n3)CC2)N(C)C)cc1 ZINC000095379655 132209556 /nfs/dbraw/zinc/20/95/56/132209556.db2.gz OPBIJFRGRMADHR-IBGZPJMESA-N 1 3 368.529 2.537 50 0 FFAAHO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000007346269 506554631 /nfs/dbraw/zinc/55/46/31/506554631.db2.gz SLCWQNRLCOQURR-QZTJIDSGSA-N 1 3 358.530 2.745 50 0 FFAAHO C[NH+](C)C1(CNc2nc(-c3ccncc3)nc3c2CCNC3)CCCCC1 ZINC000067769917 507004457 /nfs/dbraw/zinc/00/44/57/507004457.db2.gz RKKCIPRFUITBOU-UHFFFAOYSA-N 1 3 366.513 2.861 50 0 FFAAHO Cc1nc(NCCN2CCc3ccccc3C2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067907961 507048189 /nfs/dbraw/zinc/04/81/89/507048189.db2.gz XIRHIIOYMCUUJE-GOSISDBHSA-N 1 3 351.498 2.722 50 0 FFAAHO CCN1CCN(C2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)CC1 ZINC000019888845 521672069 /nfs/dbraw/zinc/67/20/69/521672069.db2.gz MDWXRFSMYLSSEY-UHFFFAOYSA-N 1 3 370.585 2.753 50 0 FFAAHO Cc1ccccc1CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420822 570906583 /nfs/dbraw/zinc/90/65/83/570906583.db2.gz CJGSJMJYUQJVFN-OAQYLSRUSA-N 1 3 351.494 2.982 50 0 FFAAHO Cc1ccccc1CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420822 570906585 /nfs/dbraw/zinc/90/65/85/570906585.db2.gz CJGSJMJYUQJVFN-OAQYLSRUSA-N 1 3 351.494 2.982 50 0 FFAAHO CCC[NH+]1CCC(N2CCC(Cn3cc(-c4cccnc4)nn3)CC2)CC1 ZINC000063868716 212036157 /nfs/dbraw/zinc/03/61/57/212036157.db2.gz LOQXCDVJQMALEO-UHFFFAOYSA-N 1 3 368.529 2.927 50 0 FFAAHO CCn1c(CC2CCN(Cc3ccc([C@@H](C)[NH+](C)C)cc3)CC2)n[nH]c1=O ZINC000071661888 221354018 /nfs/dbraw/zinc/35/40/18/221354018.db2.gz HFVVDVKONGZNPN-MRXNPFEDSA-N 1 3 371.529 2.669 50 0 FFAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2cnn(C)c2)CC1 ZINC000012003536 506808013 /nfs/dbraw/zinc/80/80/13/506808013.db2.gz IPWDZAICXOABOM-UHFFFAOYSA-N 1 3 356.514 2.815 50 0 FFAAHO CN1CCN(CCCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000058354630 507407591 /nfs/dbraw/zinc/40/75/91/507407591.db2.gz FCSLJCBCOFVZPR-UHFFFAOYSA-N 1 3 361.921 2.847 50 0 FFAAHO CC(C)Cc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1 ZINC000091452144 507987095 /nfs/dbraw/zinc/98/70/95/507987095.db2.gz KEEBKQWVLQMUCT-DHIUTWEWSA-N 1 3 373.585 2.563 50 0 FFAAHO CC(C)Cc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cc1 ZINC000091452144 507987100 /nfs/dbraw/zinc/98/71/00/507987100.db2.gz KEEBKQWVLQMUCT-DHIUTWEWSA-N 1 3 373.585 2.563 50 0 FFAAHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ccc(F)cc1F ZINC000252586529 509854337 /nfs/dbraw/zinc/85/43/37/509854337.db2.gz QRMWNZWYSRBYOG-KYJSFNMBSA-N 1 3 354.441 2.823 50 0 FFAAHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCOc1ccc(F)cc1F ZINC000252586529 509854345 /nfs/dbraw/zinc/85/43/45/509854345.db2.gz QRMWNZWYSRBYOG-KYJSFNMBSA-N 1 3 354.441 2.823 50 0 FFAAHO COc1cc(CN(C)C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000020867011 522345640 /nfs/dbraw/zinc/34/56/40/522345640.db2.gz HNNABIJFEZPISZ-GOSISDBHSA-N 1 3 350.503 2.761 50 0 FFAAHO COc1cc(CN(C)C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000020867011 522345672 /nfs/dbraw/zinc/34/56/72/522345672.db2.gz HNNABIJFEZPISZ-GOSISDBHSA-N 1 3 350.503 2.761 50 0 FFAAHO CN(CC(C)(C)CN1CCOCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020205837 522551097 /nfs/dbraw/zinc/55/10/97/522551097.db2.gz PPEYNQBQDLCFFK-QFIPXVFZSA-N 1 3 373.585 2.984 50 0 FFAAHO CN(CC(C)(C)CN1CCOCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020205837 522551110 /nfs/dbraw/zinc/55/11/10/522551110.db2.gz PPEYNQBQDLCFFK-QFIPXVFZSA-N 1 3 373.585 2.984 50 0 FFAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000012075423 988073672 /nfs/dbraw/zinc/07/36/72/988073672.db2.gz CHXWIMJTRIFXRS-GOSISDBHSA-N 1 3 370.541 2.817 50 0 FFAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000012075423 988073683 /nfs/dbraw/zinc/07/36/83/988073683.db2.gz CHXWIMJTRIFXRS-GOSISDBHSA-N 1 3 370.541 2.817 50 0 FFAAHO COCCN1CCC(C[N@@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)CC1 ZINC000065388187 221209526 /nfs/dbraw/zinc/20/95/26/221209526.db2.gz FRIVDVZWERNREM-QZTJIDSGSA-N 1 3 352.544 2.565 50 0 FFAAHO COCCN1CCC(C[N@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)CC1 ZINC000065388187 221209527 /nfs/dbraw/zinc/20/95/27/221209527.db2.gz FRIVDVZWERNREM-QZTJIDSGSA-N 1 3 352.544 2.565 50 0 FFAAHO CCN1CCN(CCn2cc(C[N@@H+]3CCC4(CCCC4)C3)c(C)n2)CC1 ZINC000065526490 221229420 /nfs/dbraw/zinc/22/94/20/221229420.db2.gz WPAZSDSDBMIKKK-UHFFFAOYSA-N 1 3 359.562 2.595 50 0 FFAAHO CCN1CCN(CCn2cc(C[N@H+]3CCC4(CCCC4)C3)c(C)n2)CC1 ZINC000065526490 221229422 /nfs/dbraw/zinc/22/94/22/221229422.db2.gz WPAZSDSDBMIKKK-UHFFFAOYSA-N 1 3 359.562 2.595 50 0 FFAAHO CCCCOc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000097162666 222166454 /nfs/dbraw/zinc/16/64/54/222166454.db2.gz PSFQIOVHGFIIGB-CTNGQTDRSA-N 1 3 373.541 2.946 50 0 FFAAHO Cc1nc(CNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000012386969 506858053 /nfs/dbraw/zinc/85/80/53/506858053.db2.gz ISGDLTCXNXQSPG-INIZCTEOSA-N 1 3 364.559 2.653 50 0 FFAAHO CC[NH+]1CCC(N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000022851584 507316220 /nfs/dbraw/zinc/31/62/20/507316220.db2.gz RVTUOWUVRAFNHI-HXUWFJFHSA-N 1 3 374.548 2.896 50 0 FFAAHO Cc1ccc([C@H](C)CC[NH+]2CCC3(CN(CCN(C)C)C(=O)O3)CC2)o1 ZINC000072410393 507785533 /nfs/dbraw/zinc/78/55/33/507785533.db2.gz SDGKQESWTAUIKL-MRXNPFEDSA-N 1 3 363.502 2.930 50 0 FFAAHO CN(C)C1(CNc2cc(-c3ccccc3)nc3ccnn32)CC[NH+](C)CC1 ZINC000072431205 507789847 /nfs/dbraw/zinc/78/98/47/507789847.db2.gz FKNRFJLAPNGBME-UHFFFAOYSA-N 1 3 364.497 2.834 50 0 FFAAHO CCCc1ccc(CN2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)o1 ZINC000092022588 508034569 /nfs/dbraw/zinc/03/45/69/508034569.db2.gz FUACYDDJIGKAMT-NRFANRHFSA-N 1 3 361.530 2.998 50 0 FFAAHO OCCn1ccc([C@@H]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000426372540 513919331 /nfs/dbraw/zinc/91/93/31/513919331.db2.gz YGZPKQBZSMMCCN-HXUWFJFHSA-N 1 3 368.525 2.719 50 0 FFAAHO Cc1ccccc1CN1CCN(C2CC[NH+](C(C)C)CC2)C[C@@H]1CCO ZINC000020449142 525142737 /nfs/dbraw/zinc/14/27/37/525142737.db2.gz AOENMNDFDSCWFZ-QFIPXVFZSA-N 1 3 359.558 2.736 50 0 FFAAHO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000012075426 988207035 /nfs/dbraw/zinc/20/70/35/988207035.db2.gz CHXWIMJTRIFXRS-SFHVURJKSA-N 1 3 370.541 2.817 50 0 FFAAHO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000012075426 988207045 /nfs/dbraw/zinc/20/70/45/988207045.db2.gz CHXWIMJTRIFXRS-SFHVURJKSA-N 1 3 370.541 2.817 50 0 FFAAHO NCc1cn(C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)nn1 ZINC000023430388 211388783 /nfs/dbraw/zinc/38/87/83/211388783.db2.gz ZULRZHZCZGBPKV-OAHLLOKOSA-N 1 3 368.510 2.773 50 0 FFAAHO NCc1cn(C[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)nn1 ZINC000023430388 211388791 /nfs/dbraw/zinc/38/87/91/211388791.db2.gz ZULRZHZCZGBPKV-OAHLLOKOSA-N 1 3 368.510 2.773 50 0 FFAAHO CN1CCN([C@H](CNC2CC(C)(C)[NH2+]C(C)(C)C2)c2cccs2)CC1 ZINC000022788482 211363807 /nfs/dbraw/zinc/36/38/07/211363807.db2.gz UKLKAHBZLPCCKT-QGZVFWFLSA-N 1 3 364.603 2.935 50 0 FFAAHO Cc1cc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccco4)C3)CC2)cc[nH+]1 ZINC000095378951 132209365 /nfs/dbraw/zinc/20/93/65/132209365.db2.gz XMJWIQKLKZNVJB-GOSISDBHSA-N 1 3 368.481 2.544 50 0 FFAAHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000097515151 222187948 /nfs/dbraw/zinc/18/79/48/222187948.db2.gz UTYNLPZVUBHYNP-UHFFFAOYSA-N 1 3 361.555 2.838 50 0 FFAAHO CC(C)COc1ccccc1CN(C)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072432646 507790639 /nfs/dbraw/zinc/79/06/39/507790639.db2.gz AFYJXIPRLDMTQQ-IBGZPJMESA-N 1 3 373.541 2.754 50 0 FFAAHO O=C1CCC2(CC[NH2+]CC2)CN1CCN1CCC[C@@H](c2ccccc2)C1 ZINC000091254780 507976640 /nfs/dbraw/zinc/97/66/40/507976640.db2.gz QZTWZEDKXSTVAK-HXUWFJFHSA-N 1 3 355.526 2.858 50 0 FFAAHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(CO)c1 ZINC000089905167 525438656 /nfs/dbraw/zinc/43/86/56/525438656.db2.gz CAOHFYAWGZYXGP-SFHVURJKSA-N 1 3 353.510 2.777 50 0 FFAAHO COc1cccc([C@]2(CN3CCN(c4cc[nH+]c(C)c4)CC3)CCOC2)c1 ZINC000215050408 536916739 /nfs/dbraw/zinc/91/67/39/536916739.db2.gz URRKKMHJUFSFIR-QFIPXVFZSA-N 1 3 367.493 2.879 50 0 FFAAHO Cc1cccc(CCNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000011821991 987455611 /nfs/dbraw/zinc/45/56/11/987455611.db2.gz BNZXHLGEQLBRJQ-IBGZPJMESA-N 1 3 372.557 2.634 50 0 FFAAHO Cc1cccc(-c2ncc(CN3CCC[C@](O)(C[NH+](C)C)CC3)cn2)c1 ZINC000072168279 1019838479 /nfs/dbraw/zinc/83/84/79/1019838479.db2.gz WDVNKSXMTNMNLO-OAQYLSRUSA-N 1 3 354.498 2.731 50 0 FFAAHO CCC[NH+]1CCC(N2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)CC1 ZINC001529155660 1062190834 /nfs/dbraw/zinc/19/08/34/1062190834.db2.gz YDSHRLWYAPBBFX-XMSQKQJNSA-N 1 3 353.510 2.944 50 0 FFAAHO COc1ccc2c(c1)C[C@H]([NH+]1CCC(n3cc(C(C)(C)N)nn3)CC1)CC2 ZINC000019224237 211205645 /nfs/dbraw/zinc/20/56/45/211205645.db2.gz VDZDFEQJOUBWQY-GOSISDBHSA-N 1 3 369.513 2.675 50 0 FFAAHO COc1ccc(CNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014949074 211105693 /nfs/dbraw/zinc/10/56/93/211105693.db2.gz ZAFMKCXVCCQWGF-LJQANCHMSA-N 1 3 373.541 2.896 50 0 FFAAHO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014538865 211094032 /nfs/dbraw/zinc/09/40/32/211094032.db2.gz ODLAIPYSSUUJNT-NHCUHLMSSA-N 1 3 357.542 2.993 50 0 FFAAHO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000014538865 211094036 /nfs/dbraw/zinc/09/40/36/211094036.db2.gz ODLAIPYSSUUJNT-NHCUHLMSSA-N 1 3 357.542 2.993 50 0 FFAAHO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCN(c2ccncc2)CC1 ZINC000095356641 132207546 /nfs/dbraw/zinc/20/75/46/132207546.db2.gz XOKAPMFEWBRULT-LJQANCHMSA-N 1 3 350.466 2.511 50 0 FFAAHO CC(C)c1ccc(OCCN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)cc1 ZINC000072478913 507797158 /nfs/dbraw/zinc/79/71/58/507797158.db2.gz QJUASXFGBAJNRU-HXUWFJFHSA-N 1 3 373.541 2.721 50 0 FFAAHO [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 ZINC000091619874 507996622 /nfs/dbraw/zinc/99/66/22/507996622.db2.gz VLWAQEFDMSBBHJ-IFMALSPDSA-N 1 3 363.505 2.924 50 0 FFAAHO O=C([C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC1 ZINC000091713405 508005209 /nfs/dbraw/zinc/00/52/09/508005209.db2.gz YRCPGVWUOVDIIQ-FQEVSTJZSA-N 1 3 367.537 2.563 50 0 FFAAHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000091871391 508021039 /nfs/dbraw/zinc/02/10/39/508021039.db2.gz YXTOUJFZGHPBDV-UXHICEINSA-N 1 3 374.456 2.776 50 0 FFAAHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000076017682 508151838 /nfs/dbraw/zinc/15/18/38/508151838.db2.gz JXHHNFGWTDIXLS-CEXWTWQISA-N 1 3 365.562 2.504 50 0 FFAAHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000076017682 508151842 /nfs/dbraw/zinc/15/18/42/508151842.db2.gz JXHHNFGWTDIXLS-CEXWTWQISA-N 1 3 365.562 2.504 50 0 FFAAHO CN(C)CCN(C)[C@H]1CCC[N@@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000023478384 535855055 /nfs/dbraw/zinc/85/50/55/535855055.db2.gz WIYOCAKOTMEWPQ-IBGZPJMESA-N 1 3 362.537 2.752 50 0 FFAAHO CN(C)CCN(C)[C@H]1CCC[N@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000023478384 535855061 /nfs/dbraw/zinc/85/50/61/535855061.db2.gz WIYOCAKOTMEWPQ-IBGZPJMESA-N 1 3 362.537 2.752 50 0 FFAAHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCN(Cc1ccccn1)CC2 ZINC000169750486 984951586 /nfs/dbraw/zinc/95/15/86/984951586.db2.gz YHJLXDSJFBHGPS-FQEVSTJZSA-N 1 3 351.494 2.788 50 0 FFAAHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCN(Cc1ccccn1)CC2 ZINC000169750486 984951589 /nfs/dbraw/zinc/95/15/89/984951589.db2.gz YHJLXDSJFBHGPS-FQEVSTJZSA-N 1 3 351.494 2.788 50 0 FFAAHO CC(C)NC(=O)C1CC[NH+](C2CCN(C3CCSCC3)CC2)CC1 ZINC000012718237 220021034 /nfs/dbraw/zinc/02/10/34/220021034.db2.gz URNNIYDPJVLJNS-UHFFFAOYSA-N 1 3 353.576 2.583 50 0 FFAAHO COc1ccc2c(c1)C[C@@H]([NH+]1CCC(n3cc(C(C)(C)N)nn3)CC1)CC2 ZINC000019224240 211207741 /nfs/dbraw/zinc/20/77/41/211207741.db2.gz VDZDFEQJOUBWQY-SFHVURJKSA-N 1 3 369.513 2.675 50 0 FFAAHO Cc1ccc(C2(CN(C)C[C@H]3COc4ccccc4O3)CC[NH2+]CC2)nc1 ZINC000065385665 221209215 /nfs/dbraw/zinc/20/92/15/221209215.db2.gz LLHVIEHUGUMYME-SFHVURJKSA-N 1 3 367.493 2.783 50 0 FFAAHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)cc2)CC1 ZINC000095939771 508198750 /nfs/dbraw/zinc/19/87/50/508198750.db2.gz GFPNKGOUCMXRIX-OAQYLSRUSA-N 1 3 370.541 2.637 50 0 FFAAHO Cc1ncc(C[N@@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)n1C ZINC000020601769 527257135 /nfs/dbraw/zinc/25/71/35/527257135.db2.gz YYSVUOUITRGSKN-HXUWFJFHSA-N 1 3 353.514 2.858 50 0 FFAAHO Cc1ncc(C[N@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)n1C ZINC000020601769 527257141 /nfs/dbraw/zinc/25/71/41/527257141.db2.gz YYSVUOUITRGSKN-HXUWFJFHSA-N 1 3 353.514 2.858 50 0 FFAAHO NCc1cn(C2CC[NH+](Cc3ccc(OC4CCCC4)cc3)CC2)nn1 ZINC000023398739 969294119 /nfs/dbraw/zinc/29/41/19/969294119.db2.gz CSYJHZMAQDCOOX-UHFFFAOYSA-N 1 3 355.486 2.895 50 0 FFAAHO CC(C)C[N@@H+]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001529192145 1062214503 /nfs/dbraw/zinc/21/45/03/1062214503.db2.gz OSADRDDAJRLYBS-QFIPXVFZSA-N 1 3 359.558 2.941 50 0 FFAAHO CC(C)C[N@H+]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001529192145 1062214525 /nfs/dbraw/zinc/21/45/25/1062214525.db2.gz OSADRDDAJRLYBS-QFIPXVFZSA-N 1 3 359.558 2.941 50 0 FFAAHO O=C(NCc1cccnc1)[C@H]1CCCN(C2CC[NH+](CC3CCC3)CC2)C1 ZINC000071415671 221346423 /nfs/dbraw/zinc/34/64/23/221346423.db2.gz YCIJREJKGKECIR-FQEVSTJZSA-N 1 3 370.541 2.674 50 0 FFAAHO c1coc(CN2CCC(n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)CC2)c1 ZINC000072463056 507794157 /nfs/dbraw/zinc/79/41/57/507794157.db2.gz SQVQNDQNSQFMOD-UHFFFAOYSA-N 1 3 366.469 2.670 50 0 FFAAHO COc1ccccc1C[NH+]1CCC2(CCC(=O)N([C@H]3CCN(C)C3)C2)CC1 ZINC000092065058 508039168 /nfs/dbraw/zinc/03/91/68/508039168.db2.gz ATPPFBHKLTWSMP-IBGZPJMESA-N 1 3 371.525 2.604 50 0 FFAAHO OCCOCCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095375223 508179708 /nfs/dbraw/zinc/17/97/08/508179708.db2.gz JOYQQZZIGIKBJB-HXUWFJFHSA-N 1 3 358.526 2.729 50 0 FFAAHO OCCOCCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095375223 508179710 /nfs/dbraw/zinc/17/97/10/508179710.db2.gz JOYQQZZIGIKBJB-HXUWFJFHSA-N 1 3 358.526 2.729 50 0 FFAAHO C[C@H](C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1)[NH+]1CCN(C)CC1 ZINC000077453433 508318629 /nfs/dbraw/zinc/31/86/29/508318629.db2.gz XFTOIVCRMRXTQO-GOSISDBHSA-N 1 3 373.589 2.990 50 0 FFAAHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)nc3ccccn32)C[C@@H](C)O1 ZINC000237402960 509640926 /nfs/dbraw/zinc/64/09/26/509640926.db2.gz NAYRYFUOPYNRMS-HUUCEWRRSA-N 1 3 350.894 2.967 50 0 FFAAHO C[NH+]1CCC(N2C[C@@H](COc3cccnc3)[C@H](c3ccccn3)C2)CC1 ZINC000257194286 509953666 /nfs/dbraw/zinc/95/36/66/509953666.db2.gz SZGLNFADFDNSQR-FXAWDEMLSA-N 1 3 352.482 2.665 50 0 FFAAHO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCC(=O)N(CCN3CCCCC3)CC1)=CC2 ZINC000014962308 1021729519 /nfs/dbraw/zinc/72/95/19/1021729519.db2.gz KTECOVRYZDZTKL-PMACEKPBSA-N 1 3 359.558 2.999 50 0 FFAAHO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCC(=O)N(CCN3CCCCC3)CC1)=CC2 ZINC000014962308 1021729527 /nfs/dbraw/zinc/72/95/27/1021729527.db2.gz KTECOVRYZDZTKL-PMACEKPBSA-N 1 3 359.558 2.999 50 0 FFAAHO O=C(NC1CC1)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020205795 211272628 /nfs/dbraw/zinc/27/26/28/211272628.db2.gz TZNNVBMOFGAZCN-IBGZPJMESA-N 1 3 367.537 2.609 50 0 FFAAHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(c2ccncc2)CC1 ZINC000073024739 136149895 /nfs/dbraw/zinc/14/98/95/136149895.db2.gz CLGSQKXTVHAZIS-UHFFFAOYSA-N 1 3 350.466 2.640 50 0 FFAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC1 ZINC000012612671 506884034 /nfs/dbraw/zinc/88/40/34/506884034.db2.gz KXBLBLIXXSQYQJ-QGZVFWFLSA-N 1 3 361.505 2.838 50 0 FFAAHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000072242426 507771464 /nfs/dbraw/zinc/77/14/64/507771464.db2.gz ZYNXTQSJKUJTIN-IAGOWNOFSA-N 1 3 360.477 2.990 50 0 FFAAHO CN1CC2(C[C@H]1C(=O)NCCc1cccc3ccccc31)CC[NH2+]CC2 ZINC000072412138 507786251 /nfs/dbraw/zinc/78/62/51/507786251.db2.gz ZYWDCWJYZOILCU-FQEVSTJZSA-N 1 3 351.494 2.572 50 0 FFAAHO C[C@@H](C1CC[NH+](Cc2ccccc2Cn2cccn2)CC1)N1CCOCC1 ZINC000072478900 507796800 /nfs/dbraw/zinc/79/68/00/507796800.db2.gz AEURASMOHLUJOK-IBGZPJMESA-N 1 3 368.525 2.864 50 0 FFAAHO COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095508355 508192232 /nfs/dbraw/zinc/19/22/32/508192232.db2.gz FUCJXMAJNHGUJS-SFHVURJKSA-N 1 3 362.514 2.905 50 0 FFAAHO COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095508355 508192235 /nfs/dbraw/zinc/19/22/35/508192235.db2.gz FUCJXMAJNHGUJS-SFHVURJKSA-N 1 3 362.514 2.905 50 0 FFAAHO C[NH+](C)C[C@@H]1COCCN(Cc2cc(CN3CCCCC3)cs2)C1 ZINC000215124157 509245744 /nfs/dbraw/zinc/24/57/44/509245744.db2.gz IFLGXFMOSCGLFZ-SFHVURJKSA-N 1 3 351.560 2.744 50 0 FFAAHO CCn1cc([C@H]2N[C@@](CC)(CO)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C)n1 ZINC000065381890 999857934 /nfs/dbraw/zinc/85/79/34/999857934.db2.gz PVUXOYYSLLZPBB-MBDNFAEBSA-N 1 3 368.525 2.745 50 0 FFAAHO CCn1cc([C@H]2N[C@@](CC)(CO)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)n1 ZINC000065381890 999857936 /nfs/dbraw/zinc/85/79/36/999857936.db2.gz PVUXOYYSLLZPBB-MBDNFAEBSA-N 1 3 368.525 2.745 50 0 FFAAHO CN(C)[C@H](CNc1nc(C2CC2)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072428072 507789156 /nfs/dbraw/zinc/78/91/56/507789156.db2.gz NHGYVLVHYHKKCN-MRXNPFEDSA-N 1 3 357.527 2.819 50 0 FFAAHO CCCN(Cc1ccc(OCC)cc1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072469652 507794538 /nfs/dbraw/zinc/79/45/38/507794538.db2.gz AFQHLIFODUEQCR-FQEVSTJZSA-N 1 3 373.541 2.898 50 0 FFAAHO CCCN1CC2(C[C@H]1C(=O)NC1(c3ccccc3)CC1)CC[NH+](C)CC2 ZINC000072480425 507797923 /nfs/dbraw/zinc/79/79/23/507797923.db2.gz CYGDPRSOAMAUJK-IBGZPJMESA-N 1 3 355.526 2.988 50 0 FFAAHO CCOc1ccc(CN2CCCN(C)C3(CC[NH2+]CC3)C2)cc1Cl ZINC000097756485 508229828 /nfs/dbraw/zinc/22/98/28/508229828.db2.gz ZPZBWSWDJPRUCH-UHFFFAOYSA-N 1 3 351.922 2.998 50 0 FFAAHO CC1=C(c2ccccc2)[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000221280211 509306118 /nfs/dbraw/zinc/30/61/18/509306118.db2.gz CZWLMWDEXROZDU-OAQYLSRUSA-N 1 3 353.510 2.765 50 0 FFAAHO Cc1nccn1CCC[NH2+]Cc1cc(CN2CCN(C)CC2)c(C)cc1C ZINC000952989001 1011046270 /nfs/dbraw/zinc/04/62/70/1011046270.db2.gz GKBIDITYIJAMOZ-UHFFFAOYSA-N 1 3 369.557 2.736 50 0 FFAAHO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(CC3CCC3)CC2)CC1 ZINC000071762867 221369589 /nfs/dbraw/zinc/36/95/89/221369589.db2.gz NXYVQONFDGOGPH-UHFFFAOYSA-N 1 3 370.541 2.674 50 0 FFAAHO CSCCC[N@@H+]1CCC2(CCN(Cc3cccnc3)CC2)[C@H](CO)C1 ZINC000097522131 222188140 /nfs/dbraw/zinc/18/81/40/222188140.db2.gz KEKJKXZQKHFLGU-IBGZPJMESA-N 1 3 363.571 2.731 50 0 FFAAHO CSCCC[N@H+]1CCC2(CCN(Cc3cccnc3)CC2)[C@H](CO)C1 ZINC000097522131 222188144 /nfs/dbraw/zinc/18/81/44/222188144.db2.gz KEKJKXZQKHFLGU-IBGZPJMESA-N 1 3 363.571 2.731 50 0 FFAAHO CCn1cc(CN2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@@H]3CO)cn1 ZINC000097713536 222207208 /nfs/dbraw/zinc/20/72/08/222207208.db2.gz VVGVLEUYLQRFPK-HXUWFJFHSA-N 1 3 372.513 2.593 50 0 FFAAHO CCn1cc(CN2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@@H]3CO)cn1 ZINC000097713536 222207210 /nfs/dbraw/zinc/20/72/10/222207210.db2.gz VVGVLEUYLQRFPK-HXUWFJFHSA-N 1 3 372.513 2.593 50 0 FFAAHO COc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000004699692 506388756 /nfs/dbraw/zinc/38/87/56/506388756.db2.gz IGLQILSRDLZROQ-UHFFFAOYSA-N 1 3 361.530 2.611 50 0 FFAAHO CN1CC2(C[C@@H]1C(=O)NCc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000072430535 507789788 /nfs/dbraw/zinc/78/97/88/507789788.db2.gz IDSAJYGFKKFRGU-OAHLLOKOSA-N 1 3 356.297 2.684 50 0 FFAAHO CN1CCC[N@H+](C[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)CC1 ZINC000091650598 507999873 /nfs/dbraw/zinc/99/98/73/507999873.db2.gz RNUQCKSBYSIVON-NHCUHLMSSA-N 1 3 373.585 2.662 50 0 FFAAHO CN1CCC[N@@H+](C[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)CC1 ZINC000091650598 507999876 /nfs/dbraw/zinc/99/98/76/507999876.db2.gz RNUQCKSBYSIVON-NHCUHLMSSA-N 1 3 373.585 2.662 50 0 FFAAHO CCN1CC2(CC[NH+](C3CCNCC3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091713776 508005147 /nfs/dbraw/zinc/00/51/47/508005147.db2.gz AKCXYBXXIMWXKJ-FQEVSTJZSA-N 1 3 355.526 2.857 50 0 FFAAHO COc1cc(CN2CCCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095496617 508189305 /nfs/dbraw/zinc/18/93/05/508189305.db2.gz JTCAAZSVWTWZHZ-LJQANCHMSA-N 1 3 362.514 2.907 50 0 FFAAHO C[NH+](C)C[C@H]1COCCN(Cc2cc(CN3CCCCC3)cs2)C1 ZINC000215124118 509245257 /nfs/dbraw/zinc/24/52/57/509245257.db2.gz IFLGXFMOSCGLFZ-GOSISDBHSA-N 1 3 351.560 2.744 50 0 FFAAHO OCCn1ccc([C@H]2CCC[N@H+](Cc3cc(CN4CCCC4)cs3)C2)n1 ZINC000426504400 513962795 /nfs/dbraw/zinc/96/27/95/513962795.db2.gz BELHUBMXPJEKIP-SFHVURJKSA-N 1 3 374.554 2.912 50 0 FFAAHO OCCn1ccc([C@H]2CCC[N@@H+](Cc3cc(CN4CCCC4)cs3)C2)n1 ZINC000426504400 513962803 /nfs/dbraw/zinc/96/28/03/513962803.db2.gz BELHUBMXPJEKIP-SFHVURJKSA-N 1 3 374.554 2.912 50 0 FFAAHO CCCCOc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000241644620 520875449 /nfs/dbraw/zinc/87/54/49/520875449.db2.gz PSFQIOVHGFIIGB-TZIWHRDSSA-N 1 3 373.541 2.946 50 0 FFAAHO COC[C@@H]1CN(Cc2ccc(Br)s2)CC12CC[NH2+]CC2 ZINC000169783973 728982791 /nfs/dbraw/zinc/98/27/91/728982791.db2.gz HLJNXIWMIPYVFZ-LBPRGKRZSA-N 1 3 359.333 2.959 50 0 FFAAHO CC(C)C[C@@]1(CO)[NH2+][C@H](c2nccn2C)[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000065455742 221220671 /nfs/dbraw/zinc/22/06/71/221220671.db2.gz FCIACPAPVAWNIN-AQCRLBJHSA-N 1 3 368.525 2.590 50 0 FFAAHO CN1C[C@H]2[C@@H](C1)[C@@H](c1cccc(-n3cccn3)c1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065492505 221225627 /nfs/dbraw/zinc/22/56/27/221225627.db2.gz MGQJJHCKLMMNLS-KAOXLYBCSA-N 1 3 374.488 2.582 50 0 FFAAHO CSCCN1CCC(NC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000095369946 221872448 /nfs/dbraw/zinc/87/24/48/221872448.db2.gz PZFYMDBAKYJORG-GOSISDBHSA-N 1 3 361.555 2.711 50 0 FFAAHO COc1ccc(CN2CCC(CCC(=O)NCC[NH+](C)C)CC2)c(F)c1 ZINC000011948864 506806359 /nfs/dbraw/zinc/80/63/59/506806359.db2.gz FLHLLXZPGRECMJ-UHFFFAOYSA-N 1 3 365.493 2.504 50 0 FFAAHO COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](C3CC(C)(C)NC(C)(C)C3)C[C@H]21 ZINC000095382024 508181473 /nfs/dbraw/zinc/18/14/73/508181473.db2.gz FXHTVZSSIMXOGI-XMSQKQJNSA-N 1 3 374.525 2.775 50 0 FFAAHO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](C3CC(C)(C)NC(C)(C)C3)C[C@H]21 ZINC000095382024 508181477 /nfs/dbraw/zinc/18/14/77/508181477.db2.gz FXHTVZSSIMXOGI-XMSQKQJNSA-N 1 3 374.525 2.775 50 0 FFAAHO C[NH+]1CCC(CN2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)CC1 ZINC000215849995 509253367 /nfs/dbraw/zinc/25/33/67/509253367.db2.gz RUJBESQSCLVZMK-UHFFFAOYSA-N 1 3 365.525 2.603 50 0 FFAAHO CC1=C(c2ccccc2)[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000221280263 509307047 /nfs/dbraw/zinc/30/70/47/509307047.db2.gz CZWLMWDEXROZDU-NRFANRHFSA-N 1 3 353.510 2.765 50 0 FFAAHO COCC[N@H+](C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542445 523731464 /nfs/dbraw/zinc/73/14/64/523731464.db2.gz WUHGZBFLZGLEEF-LJQANCHMSA-N 1 3 372.553 2.993 50 0 FFAAHO COCC[N@@H+](C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542445 523731473 /nfs/dbraw/zinc/73/14/73/523731473.db2.gz WUHGZBFLZGLEEF-LJQANCHMSA-N 1 3 372.553 2.993 50 0 FFAAHO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542445 523731477 /nfs/dbraw/zinc/73/14/77/523731477.db2.gz WUHGZBFLZGLEEF-LJQANCHMSA-N 1 3 372.553 2.993 50 0 FFAAHO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542445 523731485 /nfs/dbraw/zinc/73/14/85/523731485.db2.gz WUHGZBFLZGLEEF-LJQANCHMSA-N 1 3 372.553 2.993 50 0 FFAAHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc(CO)c1 ZINC000089905168 525520227 /nfs/dbraw/zinc/52/02/27/525520227.db2.gz CAOHFYAWGZYXGP-GOSISDBHSA-N 1 3 353.510 2.777 50 0 FFAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC000012473546 988293190 /nfs/dbraw/zinc/29/31/90/988293190.db2.gz UWKCEHJBKLQWKC-IBGZPJMESA-N 1 3 373.541 2.636 50 0 FFAAHO COc1ccc(C[C@H](N)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000824673656 999245615 /nfs/dbraw/zinc/24/56/15/999245615.db2.gz RVDDQYRKSGHECE-FQEVSTJZSA-N 1 3 353.466 2.800 50 0 FFAAHO Cc1ncc2c(c1-c1noc(-c3ccc(CN4CCCC4)o3)n1)CC[NH2+]C2 ZINC000019113131 1022495484 /nfs/dbraw/zinc/49/54/84/1022495484.db2.gz VROHFMUVHMAFDJ-UHFFFAOYSA-N 1 3 365.437 2.942 50 0 FFAAHO CCCC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067642277 221264838 /nfs/dbraw/zinc/26/48/38/221264838.db2.gz NZTRVUVZSFJPBA-GOSISDBHSA-N 1 3 358.530 2.674 50 0 FFAAHO COC(=O)N1CCC2(CCC([NH+]3CCN(c4ccncc4)CC3)CC2)CC1 ZINC000067712885 221273930 /nfs/dbraw/zinc/27/39/30/221273930.db2.gz YIBBCMCDULOLDV-UHFFFAOYSA-N 1 3 372.513 2.995 50 0 FFAAHO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 ZINC000097775782 222213576 /nfs/dbraw/zinc/21/35/76/222213576.db2.gz JFZZPOQFVZJYSR-AZUAARDMSA-N 1 3 356.514 2.775 50 0 FFAAHO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 ZINC000097775782 222213580 /nfs/dbraw/zinc/21/35/80/222213580.db2.gz JFZZPOQFVZJYSR-AZUAARDMSA-N 1 3 356.514 2.775 50 0 FFAAHO CC(C)CC[N@@H+]1CCN(C2CCN(Cc3ccco3)CC2)C[C@H]1CCO ZINC000104538535 222359472 /nfs/dbraw/zinc/35/94/72/222359472.db2.gz DAWBALZFMIMGAU-HXUWFJFHSA-N 1 3 363.546 2.659 50 0 FFAAHO CC(C)CC[N@H+]1CCN(C2CCN(Cc3ccco3)CC2)C[C@H]1CCO ZINC000104538535 222359476 /nfs/dbraw/zinc/35/94/76/222359476.db2.gz DAWBALZFMIMGAU-HXUWFJFHSA-N 1 3 363.546 2.659 50 0 FFAAHO Cc1nc(CNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000012386968 506857281 /nfs/dbraw/zinc/85/72/81/506857281.db2.gz ISGDLTCXNXQSPG-MRXNPFEDSA-N 1 3 364.559 2.653 50 0 FFAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCCOc3ccccc3)C2)CC1 ZINC000014957893 507006717 /nfs/dbraw/zinc/00/67/17/507006717.db2.gz KJHXBBSDCFPZFQ-IBGZPJMESA-N 1 3 373.541 2.766 50 0 FFAAHO [NH3+][C@@H]1c2ccccc2C2(CCN(Cc3c[nH]nc3-c3ccccc3)CC2)[C@H]1O ZINC000072128467 507753192 /nfs/dbraw/zinc/75/31/92/507753192.db2.gz FIMWSLPFQFALNV-IRLDBZIGSA-N 1 3 374.488 2.985 50 0 FFAAHO O[C@H](COc1ccccc1CN1CCC(F)CC1)C[NH+]1CCCCC1 ZINC000095523419 508194998 /nfs/dbraw/zinc/19/49/98/508194998.db2.gz DGBMAVOQJQEPQI-IBGZPJMESA-N 1 3 350.478 2.846 50 0 FFAAHO CCn1c(CC2CCN(Cc3ccc([C@H](C)[NH+](C)C)cc3)CC2)n[nH]c1=O ZINC000071661891 221354060 /nfs/dbraw/zinc/35/40/60/221354060.db2.gz HFVVDVKONGZNPN-INIZCTEOSA-N 1 3 371.529 2.669 50 0 FFAAHO CC[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2sc(C(C)C)nc2C)CC1 ZINC000072128992 507753412 /nfs/dbraw/zinc/75/34/12/507753412.db2.gz NDANTBSXMZPSOZ-CVEARBPZSA-N 1 3 364.559 2.910 50 0 FFAAHO CN(Cc1cccc2ccccc21)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072410314 507785726 /nfs/dbraw/zinc/78/57/26/507785726.db2.gz HHQYNXOEFFZVHW-HXUWFJFHSA-N 1 3 351.494 2.872 50 0 FFAAHO CCCN1CC2(C[C@H]1C(=O)NCCCc1ccccc1)CC[NH+](C)CC2 ZINC000072418490 507786508 /nfs/dbraw/zinc/78/65/08/507786508.db2.gz VSFXHWAQGVSVCE-FQEVSTJZSA-N 1 3 357.542 2.932 50 0 FFAAHO CCCN1CC2(C[C@H]1C(=O)NCCOc1ccccc1C)CC[NH+](C)CC2 ZINC000072431610 507790779 /nfs/dbraw/zinc/79/07/79/507790779.db2.gz IAFQVWDLIPATBP-IBGZPJMESA-N 1 3 373.541 2.686 50 0 FFAAHO Cc1ccc(C(=O)N(C)Cc2ccccc2CN(C)C)cc1OCC[NH3+] ZINC000426535154 513972507 /nfs/dbraw/zinc/97/25/07/513972507.db2.gz MDCSCWQOOVZWIR-UHFFFAOYSA-N 1 3 355.482 2.666 50 0 FFAAHO COc1ccc(CN2CCC3(C[N@@H+](C4CCC4)C[C@H]3CO)CC2)cc1OC ZINC000169782454 984967911 /nfs/dbraw/zinc/96/79/11/984967911.db2.gz KEXUGIUWYMLYDN-SFHVURJKSA-N 1 3 374.525 2.763 50 0 FFAAHO COc1ccc(CN2CCC3(C[N@H+](C4CCC4)C[C@H]3CO)CC2)cc1OC ZINC000169782454 984967913 /nfs/dbraw/zinc/96/79/13/984967913.db2.gz KEXUGIUWYMLYDN-SFHVURJKSA-N 1 3 374.525 2.763 50 0 FFAAHO OC[C@H]1C[N@H+](Cc2ccccc2)CC12CCN(Cc1cccnc1)CC2 ZINC000169791324 984968590 /nfs/dbraw/zinc/96/85/90/984968590.db2.gz BUKNZMZWZOHSSN-OAQYLSRUSA-N 1 3 351.494 2.788 50 0 FFAAHO OC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCN(Cc1cccnc1)CC2 ZINC000169791324 984968595 /nfs/dbraw/zinc/96/85/95/984968595.db2.gz BUKNZMZWZOHSSN-OAQYLSRUSA-N 1 3 351.494 2.788 50 0 FFAAHO COc1ccc(C[C@H](N)C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 ZINC000824673634 999245552 /nfs/dbraw/zinc/24/55/52/999245552.db2.gz FJWBDRKTTOIPJZ-IBGZPJMESA-N 1 3 353.466 2.800 50 0 FFAAHO C[C@@H](c1ccccn1)N(C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000952977400 1011020462 /nfs/dbraw/zinc/02/04/62/1011020462.db2.gz IBWPJUWRNVZALX-IBGZPJMESA-N 1 3 368.525 2.901 50 0 FFAAHO CC(C)NC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011662362 506785575 /nfs/dbraw/zinc/78/55/75/506785575.db2.gz VJJDEHSHJLZALZ-FQEVSTJZSA-N 1 3 369.553 2.855 50 0 FFAAHO NCc1cn(C[C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)nn1 ZINC000023430393 507354319 /nfs/dbraw/zinc/35/43/19/507354319.db2.gz ZULRZHZCZGBPKV-HNNXBMFYSA-N 1 3 368.510 2.773 50 0 FFAAHO NCc1cn(C[C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)nn1 ZINC000023430393 507354326 /nfs/dbraw/zinc/35/43/26/507354326.db2.gz ZULRZHZCZGBPKV-HNNXBMFYSA-N 1 3 368.510 2.773 50 0 FFAAHO COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c(C)c1 ZINC000091690085 508002554 /nfs/dbraw/zinc/00/25/54/508002554.db2.gz CPBOWNVUMOELLM-UHFFFAOYSA-N 1 3 373.541 2.770 50 0 FFAAHO Cc1ccccc1C[NH+]1CCC2(CCC(=O)N([C@@H]3CCN(C)C3)C2)CC1 ZINC000092064977 508038905 /nfs/dbraw/zinc/03/89/05/508038905.db2.gz LXADQHHNQRVYJP-HXUWFJFHSA-N 1 3 355.526 2.904 50 0 FFAAHO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3cnccc3N)c2)CC1 ZINC000426563222 513982012 /nfs/dbraw/zinc/98/20/12/513982012.db2.gz HUOUKUXMDZTEKJ-UHFFFAOYSA-N 1 3 370.522 2.718 50 0 FFAAHO Cc1ccc(C(=O)N2CCCC[C@@H]2CN2CCCC2)c(OCCC[NH3+])c1 ZINC000426648203 514005313 /nfs/dbraw/zinc/00/53/13/514005313.db2.gz WBBVPWUWALPSDI-GOSISDBHSA-N 1 3 359.514 2.813 50 0 FFAAHO Cc1ccc(C2(CN(C)C[C@@H]3COc4ccccc4O3)CC[NH2+]CC2)nc1 ZINC000065385664 221208398 /nfs/dbraw/zinc/20/83/98/221208398.db2.gz LLHVIEHUGUMYME-GOSISDBHSA-N 1 3 367.493 2.783 50 0 FFAAHO COCCC[NH2+]Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000011839821 506797366 /nfs/dbraw/zinc/79/73/66/506797366.db2.gz NHHWSMPAQHYFTA-OAQYLSRUSA-N 1 3 372.509 2.684 50 0 FFAAHO CC(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012435706 506864366 /nfs/dbraw/zinc/86/43/66/506864366.db2.gz PXXSPYATIXOOMH-LJQANCHMSA-N 1 3 358.530 2.530 50 0 FFAAHO O[C@@H](COc1cccc(CN2CCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095525220 508195447 /nfs/dbraw/zinc/19/54/47/508195447.db2.gz WYZFQEUBGAQTOK-OAQYLSRUSA-N 1 3 352.478 2.690 50 0 FFAAHO O[C@@H](COc1cccc(CN2CCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000095525220 508195450 /nfs/dbraw/zinc/19/54/50/508195450.db2.gz WYZFQEUBGAQTOK-OAQYLSRUSA-N 1 3 352.478 2.690 50 0 FFAAHO O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(C[C@@H]1CC[NH2+]C1)CC2 ZINC000077354914 508304254 /nfs/dbraw/zinc/30/42/54/508304254.db2.gz BJHSMMNEAIWYKH-QGZVFWFLSA-N 1 3 361.917 2.764 50 0 FFAAHO CCCCOc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000241644619 520875153 /nfs/dbraw/zinc/87/51/53/520875153.db2.gz PSFQIOVHGFIIGB-PZJWPPBQSA-N 1 3 373.541 2.946 50 0 FFAAHO COc1ccc(C[C@@H]2CC[C@H](CN(C)C3CC[NH+](C)CC3)O2)cc1F ZINC000072411743 845555640 /nfs/dbraw/zinc/55/56/40/845555640.db2.gz ANFRTDMBZKMKKW-ZWKOTPCHSA-N 1 3 350.478 2.950 50 0 FFAAHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCN(Cc1ccncc1)CC2 ZINC000169750488 984951744 /nfs/dbraw/zinc/95/17/44/984951744.db2.gz CORCPRWVSRGSJX-NRFANRHFSA-N 1 3 351.494 2.788 50 0 FFAAHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCN(Cc1ccncc1)CC2 ZINC000169750488 984951750 /nfs/dbraw/zinc/95/17/50/984951750.db2.gz CORCPRWVSRGSJX-NRFANRHFSA-N 1 3 351.494 2.788 50 0 FFAAHO CC/C=C(/CN1CCC([NH+]2CCN(CCO)CC2)CC1)c1ccccc1 ZINC000952869932 1011002529 /nfs/dbraw/zinc/00/25/29/1011002529.db2.gz PRNKHCFPKCUWNS-MPUCSWFWSA-N 1 3 357.542 2.554 50 0 FFAAHO COCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000015074526 220145583 /nfs/dbraw/zinc/14/55/83/220145583.db2.gz CRSQRZYCYKJVQU-LJQANCHMSA-N 1 3 365.562 2.602 50 0 FFAAHO COCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000015074526 220145586 /nfs/dbraw/zinc/14/55/86/220145586.db2.gz CRSQRZYCYKJVQU-LJQANCHMSA-N 1 3 365.562 2.602 50 0 FFAAHO CC(C)(C)C[N@@H+]1CCN(C2CCN(Cc3ccco3)CC2)C[C@@H]1CCO ZINC000020877683 220344583 /nfs/dbraw/zinc/34/45/83/220344583.db2.gz OOXANRWQODNHEU-IBGZPJMESA-N 1 3 363.546 2.659 50 0 FFAAHO CC(C)(C)C[N@H+]1CCN(C2CCN(Cc3ccco3)CC2)C[C@@H]1CCO ZINC000020877683 220344585 /nfs/dbraw/zinc/34/45/85/220344585.db2.gz OOXANRWQODNHEU-IBGZPJMESA-N 1 3 363.546 2.659 50 0 FFAAHO OCCOCCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095375224 508179829 /nfs/dbraw/zinc/17/98/29/508179829.db2.gz JOYQQZZIGIKBJB-FQEVSTJZSA-N 1 3 358.526 2.729 50 0 FFAAHO OCCOCCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095375224 508179831 /nfs/dbraw/zinc/17/98/31/508179831.db2.gz JOYQQZZIGIKBJB-FQEVSTJZSA-N 1 3 358.526 2.729 50 0 FFAAHO COc1ccc(CN2CCC(CNC(C)=O)CC2)cc1C[NH+]1CCCC1 ZINC000215376224 509247331 /nfs/dbraw/zinc/24/73/31/509247331.db2.gz VQKZCNCEDZEMHQ-UHFFFAOYSA-N 1 3 359.514 2.639 50 0 FFAAHO CN1CCC(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)(c2ccccc2)CC1 ZINC000299781023 530047845 /nfs/dbraw/zinc/04/78/45/530047845.db2.gz OCOYGECWURCWMB-SFHVURJKSA-N 1 3 357.542 2.887 50 0 FFAAHO CN1CCC(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)(c2ccccc2)CC1 ZINC000299781023 530047846 /nfs/dbraw/zinc/04/78/46/530047846.db2.gz OCOYGECWURCWMB-SFHVURJKSA-N 1 3 357.542 2.887 50 0 FFAAHO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCN2CCCCC2)c1 ZINC000015002318 220140474 /nfs/dbraw/zinc/14/04/74/220140474.db2.gz FTTVNDOWWQXBBX-LJQANCHMSA-N 1 3 359.514 2.652 50 0 FFAAHO O[C@@]1(C[NH2+]CCc2csc(-c3cccnc3)n2)CCCN2CCCC[C@@H]21 ZINC000063855495 221143453 /nfs/dbraw/zinc/14/34/53/221143453.db2.gz CUAUKSBTMIYUEE-UYAOXDASSA-N 1 3 372.538 2.717 50 0 FFAAHO CCc1ccccc1NC(=O)CC[NH2+]C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063835315 221143666 /nfs/dbraw/zinc/14/36/66/221143666.db2.gz FHWNOHDPBOMMLO-TZIWHRDSSA-N 1 3 359.514 2.547 50 0 FFAAHO COCCCN(C(=O)CC[NH+]1CCCCCCC1)C1CCN(C)CC1 ZINC000063871625 221144926 /nfs/dbraw/zinc/14/49/26/221144926.db2.gz TZKAPAKHHJCZLI-UHFFFAOYSA-N 1 3 353.551 2.602 50 0 FFAAHO CCc1cccc(NC(=O)CCN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC000065525976 221230291 /nfs/dbraw/zinc/23/02/91/221230291.db2.gz XSGRQIPARAZTCM-UHFFFAOYSA-N 1 3 372.557 2.537 50 0 FFAAHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000107051159 222390313 /nfs/dbraw/zinc/39/03/13/222390313.db2.gz JXHHNFGWTDIXLS-OTWHNJEPSA-N 1 3 365.562 2.504 50 0 FFAAHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000107051159 222390317 /nfs/dbraw/zinc/39/03/17/222390317.db2.gz JXHHNFGWTDIXLS-OTWHNJEPSA-N 1 3 365.562 2.504 50 0 FFAAHO CCN(C)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011759164 506793232 /nfs/dbraw/zinc/79/32/32/506793232.db2.gz HCDJXPURGSBPTH-FQEVSTJZSA-N 1 3 369.553 2.809 50 0 FFAAHO COc1ccccc1CCC(=O)N1CCC[C@@H]([N@H+](C)CCCN(C)C)C1 ZINC000011771754 506793795 /nfs/dbraw/zinc/79/37/95/506793795.db2.gz GCLFRYKWMPRJSY-LJQANCHMSA-N 1 3 361.530 2.502 50 0 FFAAHO COc1ccccc1CCC(=O)N1CCC[C@@H]([N@@H+](C)CCCN(C)C)C1 ZINC000011771754 506793801 /nfs/dbraw/zinc/79/38/01/506793801.db2.gz GCLFRYKWMPRJSY-LJQANCHMSA-N 1 3 361.530 2.502 50 0 FFAAHO CN(C)Cc1ccccc1CNC(=O)NCc1ccccc1C[NH+](C)C ZINC000025044778 507460982 /nfs/dbraw/zinc/46/09/82/507460982.db2.gz PVAUZGFPGIPZBM-UHFFFAOYSA-N 1 3 354.498 2.809 50 0 FFAAHO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CN(CCN(C)C)C(=O)O3)CC2)o1 ZINC000072410392 507785406 /nfs/dbraw/zinc/78/54/06/507785406.db2.gz SDGKQESWTAUIKL-INIZCTEOSA-N 1 3 363.502 2.930 50 0 FFAAHO CN1CCCN(C[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H]2CO)CC1 ZINC000091712989 508005042 /nfs/dbraw/zinc/00/50/42/508005042.db2.gz PYWDMTHHEDMCBD-FGZHOGPDSA-N 1 3 367.537 2.518 50 0 FFAAHO CN1CCCN(C[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]2CO)CC1 ZINC000091712989 508005046 /nfs/dbraw/zinc/00/50/46/508005046.db2.gz PYWDMTHHEDMCBD-FGZHOGPDSA-N 1 3 367.537 2.518 50 0 FFAAHO COCCN1CC[C@@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000131540779 728722440 /nfs/dbraw/zinc/72/24/40/728722440.db2.gz QVDZTTOEOWROSQ-HNNXBMFYSA-N 1 3 360.889 2.855 50 0 FFAAHO CC(C)Cc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1 ZINC000039421434 205046914 /nfs/dbraw/zinc/04/69/14/205046914.db2.gz KIGNOTOFDGJEOI-HSZRJFAPSA-N 1 3 373.585 2.848 50 0 FFAAHO CC(C)Cc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1 ZINC000039421434 205046918 /nfs/dbraw/zinc/04/69/18/205046918.db2.gz KIGNOTOFDGJEOI-HSZRJFAPSA-N 1 3 373.585 2.848 50 0 FFAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CCSCC2)CC1 ZINC000012203546 506835201 /nfs/dbraw/zinc/83/52/01/506835201.db2.gz MRAPKIWZCQUQTM-LJQANCHMSA-N 1 3 367.603 2.975 50 0 FFAAHO NCc1cn(C[C@@H]2CCC[N@H+](C/C=C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000023581050 507360408 /nfs/dbraw/zinc/36/04/08/507360408.db2.gz MGJITHODMKRYGR-LTGKMHJSSA-N 1 3 355.461 2.858 50 0 FFAAHO NCc1cn(C[C@@H]2CCC[N@@H+](C/C=C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000023581050 507360415 /nfs/dbraw/zinc/36/04/15/507360415.db2.gz MGJITHODMKRYGR-LTGKMHJSSA-N 1 3 355.461 2.858 50 0 FFAAHO CC(C)(CN1CCC([N@@H+]2CCc3ccccc3C2)CC1)N1CCOCC1 ZINC000072162648 507765654 /nfs/dbraw/zinc/76/56/54/507765654.db2.gz GQISARMOLRFZQJ-UHFFFAOYSA-N 1 3 357.542 2.620 50 0 FFAAHO CC(C)(CN1CCC([N@H+]2CCc3ccccc3C2)CC1)N1CCOCC1 ZINC000072162648 507765658 /nfs/dbraw/zinc/76/56/58/507765658.db2.gz GQISARMOLRFZQJ-UHFFFAOYSA-N 1 3 357.542 2.620 50 0 FFAAHO CC(C)(C[NH+]1CCC(N2CCc3ccccc3C2)CC1)N1CCOCC1 ZINC000072162648 507765660 /nfs/dbraw/zinc/76/56/60/507765660.db2.gz GQISARMOLRFZQJ-UHFFFAOYSA-N 1 3 357.542 2.620 50 0 FFAAHO CC(C)C[N@H+](C)CCCN1CC2(CCN([C@@H]3CCSC3)CC2)OC1=O ZINC000072410660 507785782 /nfs/dbraw/zinc/78/57/82/507785782.db2.gz XYRJNPDSELETSI-QGZVFWFLSA-N 1 3 369.575 2.757 50 0 FFAAHO CC(C)C[N@@H+](C)CCCN1CC2(CCN([C@@H]3CCSC3)CC2)OC1=O ZINC000072410660 507785784 /nfs/dbraw/zinc/78/57/84/507785784.db2.gz XYRJNPDSELETSI-QGZVFWFLSA-N 1 3 369.575 2.757 50 0 FFAAHO c1coc([C@@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)N2CCCC2)c1 ZINC000072418561 507786015 /nfs/dbraw/zinc/78/60/15/507786015.db2.gz LXLRXFHIWUPHNQ-GOSISDBHSA-N 1 3 366.469 2.670 50 0 FFAAHO COc1cc(CN2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095496618 508189987 /nfs/dbraw/zinc/18/99/87/508189987.db2.gz JTCAAZSVWTWZHZ-IBGZPJMESA-N 1 3 362.514 2.907 50 0 FFAAHO c1ccc(CN2CCCO[C@H](CN3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000230253055 509435168 /nfs/dbraw/zinc/43/51/68/509435168.db2.gz TYWYNSCZJLXCTE-VXKWHMMOSA-N 1 3 357.542 2.695 50 0 FFAAHO COCCN1CCC[C@@]2(CC[N@H+](CC3=Cc4cc(OC)ccc4OC3)C2)C1 ZINC000012708895 1014925396 /nfs/dbraw/zinc/92/53/96/1014925396.db2.gz CGUBJSWTBOQHPE-JOCHJYFZSA-N 1 3 372.509 2.905 50 0 FFAAHO COCCN1CCC[C@@]2(CC[N@@H+](CC3=Cc4cc(OC)ccc4OC3)C2)C1 ZINC000012708895 1014925406 /nfs/dbraw/zinc/92/54/06/1014925406.db2.gz CGUBJSWTBOQHPE-JOCHJYFZSA-N 1 3 372.509 2.905 50 0 FFAAHO COc1ccc(CN2CCC3(C[N@@H+](C4CCC4)C[C@@H]3CO)CC2)cc1OC ZINC000169782453 984966774 /nfs/dbraw/zinc/96/67/74/984966774.db2.gz KEXUGIUWYMLYDN-GOSISDBHSA-N 1 3 374.525 2.763 50 0 FFAAHO COc1ccc(CN2CCC3(C[N@H+](C4CCC4)C[C@@H]3CO)CC2)cc1OC ZINC000169782453 984966780 /nfs/dbraw/zinc/96/67/80/984966780.db2.gz KEXUGIUWYMLYDN-GOSISDBHSA-N 1 3 374.525 2.763 50 0 FFAAHO Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000171653371 985351760 /nfs/dbraw/zinc/35/17/60/985351760.db2.gz REFRWKSXTBFBNG-KRWDZBQOSA-N 1 3 350.466 2.713 50 0 FFAAHO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000171653371 985351772 /nfs/dbraw/zinc/35/17/72/985351772.db2.gz REFRWKSXTBFBNG-KRWDZBQOSA-N 1 3 350.466 2.713 50 0 FFAAHO C[C@@H](COc1ccccc1)[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000011754181 506793474 /nfs/dbraw/zinc/79/34/74/506793474.db2.gz IWOGEJLMFOSIAG-SFHVURJKSA-N 1 3 361.530 2.624 50 0 FFAAHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)c1cccnc1 ZINC000115675695 508425386 /nfs/dbraw/zinc/42/53/86/508425386.db2.gz GTXBRNMBCVZBBJ-QGZVFWFLSA-N 1 3 373.545 2.733 50 0 FFAAHO OCC1(C[NH+]2CCCC2)CCN(Cc2cccc(Cn3cccn3)c2)CC1 ZINC000223661764 509344006 /nfs/dbraw/zinc/34/40/06/509344006.db2.gz ACLKZKJVVQITTR-UHFFFAOYSA-N 1 3 368.525 2.602 50 0 FFAAHO CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000244795347 509872385 /nfs/dbraw/zinc/87/23/85/509872385.db2.gz REQZQCMXJPDIAH-SFTDATJTSA-N 1 3 373.541 2.513 50 0 FFAAHO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1CN1CCCC1 ZINC000426525838 513970215 /nfs/dbraw/zinc/97/02/15/513970215.db2.gz HMJRQMAPXYMORV-MRXNPFEDSA-N 1 3 365.905 2.768 50 0 FFAAHO c1c(CNC2CCN(c3ccc4c(c3)CCC4)CC2)nn2c1C[NH2+]CCC2 ZINC000082083106 526400500 /nfs/dbraw/zinc/40/05/00/526400500.db2.gz PDGZBWOSKSQUNN-UHFFFAOYSA-N 1 3 365.525 2.624 50 0 FFAAHO CC(C)CC[NH2+][C@@H]1CCc2c(sc3ncn(CCN(C)C)c(=O)c32)C1 ZINC000012332043 845023239 /nfs/dbraw/zinc/02/32/39/845023239.db2.gz AWBCWLGPTOLOPJ-CQSZACIVSA-N 1 3 362.543 2.513 50 0 FFAAHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccco3)C2)CC1 ZINC000095366532 132208334 /nfs/dbraw/zinc/20/83/34/132208334.db2.gz BUTVKQGZIPBHQJ-GOSISDBHSA-N 1 3 368.481 2.544 50 0 FFAAHO O=C1CC[C@H]2CN(Cc3cccc(F)c3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072454779 507793668 /nfs/dbraw/zinc/79/36/68/507793668.db2.gz NEMOGFOMUWIWJC-AZUAARDMSA-N 1 3 359.489 2.638 50 0 FFAAHO Cc1ccccc1C[NH+]1CCC2(CCC(=O)N([C@H]3CCN(C)C3)C2)CC1 ZINC000092064979 508039419 /nfs/dbraw/zinc/03/94/19/508039419.db2.gz LXADQHHNQRVYJP-FQEVSTJZSA-N 1 3 355.526 2.904 50 0 FFAAHO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc(CN(C)C)cs2)C1 ZINC000095361715 508175791 /nfs/dbraw/zinc/17/57/91/508175791.db2.gz PERKLQGWYLDUAA-FUHWJXTLSA-N 1 3 373.570 2.938 50 0 FFAAHO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cc(CN(C)C)cs2)C1 ZINC000095361715 508175792 /nfs/dbraw/zinc/17/57/92/508175792.db2.gz PERKLQGWYLDUAA-FUHWJXTLSA-N 1 3 373.570 2.938 50 0 FFAAHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(Cl)c1OC ZINC000095425789 508185237 /nfs/dbraw/zinc/18/52/37/508185237.db2.gz NIJHGJQMWROFFO-SJORKVTESA-N 1 3 368.905 2.825 50 0 FFAAHO Cc1cc(N2CCC[N@H+](C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)ccn1 ZINC000299797905 511685183 /nfs/dbraw/zinc/68/51/83/511685183.db2.gz TXQFKLDTKMKMMT-LJQANCHMSA-N 1 3 364.493 2.955 50 0 FFAAHO Cc1cc(N2CCC[N@@H+](C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)ccn1 ZINC000299797905 511685189 /nfs/dbraw/zinc/68/51/89/511685189.db2.gz TXQFKLDTKMKMMT-LJQANCHMSA-N 1 3 364.493 2.955 50 0 FFAAHO O=C([C@H]1CC12CC[NH2+]CC2)N1CCCN(CCCc2ccccc2)CC1 ZINC000082091536 526529354 /nfs/dbraw/zinc/52/93/54/526529354.db2.gz NFRHREMPQOQGCN-HXUWFJFHSA-N 1 3 355.526 2.543 50 0 FFAAHO Cc1csc(CNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000012702579 727814994 /nfs/dbraw/zinc/81/49/94/727814994.db2.gz DEQZTABFUSGLBT-INIZCTEOSA-N 1 3 364.559 2.653 50 0 FFAAHO C[C@@H]1CCC(=O)N1c1ccc(N2CCC(N3CCC([NH3+])CC3)CC2)cc1 ZINC000063872211 991718824 /nfs/dbraw/zinc/71/88/24/991718824.db2.gz MNVDIELHRHAZNU-MRXNPFEDSA-N 1 3 356.514 2.594 50 0 FFAAHO c1cc(-c2nc3c(c(NCCC45CCC[NH+]4CCC5)n2)CCNC3)ccn1 ZINC000067851393 205397263 /nfs/dbraw/zinc/39/72/63/205397263.db2.gz WXGKATSUZDHTPC-UHFFFAOYSA-N 1 3 364.497 2.615 50 0 FFAAHO COc1ccc2[nH]nc(CN3CCCN(c4cc[nH+]c(C)c4)CC3)c2c1 ZINC000072153781 507763017 /nfs/dbraw/zinc/76/30/17/507763017.db2.gz FYSPIRKEXMCEIR-UHFFFAOYSA-N 1 3 351.454 2.987 50 0 FFAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1ccc(OC)cc1)CC[NH+](C)CC2 ZINC000072407023 507783670 /nfs/dbraw/zinc/78/36/70/507783670.db2.gz PWQMSHYGEGHMSF-FQEVSTJZSA-N 1 3 373.541 2.850 50 0 FFAAHO N[C@H](CCC[NH3+])C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091794042 508013743 /nfs/dbraw/zinc/01/37/43/508013743.db2.gz DHABHYFCIMVWMS-HXUWFJFHSA-N 1 3 351.494 2.661 50 0 FFAAHO COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@H](O)CN1CCCC1 ZINC000095508354 508192143 /nfs/dbraw/zinc/19/21/43/508192143.db2.gz FUCJXMAJNHGUJS-GOSISDBHSA-N 1 3 362.514 2.905 50 0 FFAAHO COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@H](O)CN1CCCC1 ZINC000095508354 508192144 /nfs/dbraw/zinc/19/21/44/508192144.db2.gz FUCJXMAJNHGUJS-GOSISDBHSA-N 1 3 362.514 2.905 50 0 FFAAHO Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000171653374 985351875 /nfs/dbraw/zinc/35/18/75/985351875.db2.gz REFRWKSXTBFBNG-QGZVFWFLSA-N 1 3 350.466 2.713 50 0 FFAAHO Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000171653374 985351884 /nfs/dbraw/zinc/35/18/84/985351884.db2.gz REFRWKSXTBFBNG-QGZVFWFLSA-N 1 3 350.466 2.713 50 0 FFAAHO COc1cccc([C@H]2CN(C(=O)c3cccn3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095391606 205751794 /nfs/dbraw/zinc/75/17/94/205751794.db2.gz XDOQHIJGSNCYCN-HMXCVIKNSA-N 1 3 365.477 2.736 50 0 FFAAHO CC(C)[NH+]1CCC(N2CCN(CCCc3ccccc3)C[C@H]2CCO)CC1 ZINC000104319993 206238478 /nfs/dbraw/zinc/23/84/78/206238478.db2.gz OFYYMUOTCCXAHG-HSZRJFAPSA-N 1 3 373.585 2.861 50 0 FFAAHO Cc1cc(N2CCC([NH2+]CCc3csc(C(C)C)n3)CC2)nc(N)n1 ZINC000095357257 132207566 /nfs/dbraw/zinc/20/75/66/132207566.db2.gz AZZULPUSGWFMGG-UHFFFAOYSA-N 1 3 360.531 2.748 50 0 FFAAHO Cc1cc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccco4)C3)CC2)cc[nH+]1 ZINC000095378952 132209463 /nfs/dbraw/zinc/20/94/63/132209463.db2.gz XMJWIQKLKZNVJB-SFHVURJKSA-N 1 3 368.481 2.544 50 0 FFAAHO CC(C)(C)C[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000012302788 506845506 /nfs/dbraw/zinc/84/55/06/506845506.db2.gz ACHUOHJFFTWAHC-SFHVURJKSA-N 1 3 372.557 2.920 50 0 FFAAHO Cc1cccc2nc([C@H]3CCCN(Cc4cc5n(n4)CCC[NH2+]C5)C3)[nH]c21 ZINC000072146637 507757888 /nfs/dbraw/zinc/75/78/88/507757888.db2.gz YXDWARXMDVGMMU-INIZCTEOSA-N 1 3 364.497 2.941 50 0 FFAAHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000072242425 507772050 /nfs/dbraw/zinc/77/20/50/507772050.db2.gz ZYNXTQSJKUJTIN-IRXDYDNUSA-N 1 3 360.477 2.990 50 0 FFAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3oc4ccccc4c3C)CC[C@H]21 ZINC000072448307 507793457 /nfs/dbraw/zinc/79/34/57/507793457.db2.gz YTKXBHQPXYMACL-FUHWJXTLSA-N 1 3 355.482 2.774 50 0 FFAAHO CCCN(Cc1ccc(OCC)cc1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072469654 507794445 /nfs/dbraw/zinc/79/44/45/507794445.db2.gz AFQHLIFODUEQCR-HXUWFJFHSA-N 1 3 373.541 2.898 50 0 FFAAHO Cc1c2cccc(C)c2[nH]c1CN1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072424767 507788402 /nfs/dbraw/zinc/78/84/02/507788402.db2.gz SXFLEHBIDOKGJL-QFBILLFUSA-N 1 3 354.498 2.556 50 0 FFAAHO O=C1CCC2(CC[NH2+]CC2)CN1CCN1CCC[C@H](c2ccccc2)C1 ZINC000091254781 507976770 /nfs/dbraw/zinc/97/67/70/507976770.db2.gz QZTWZEDKXSTVAK-FQEVSTJZSA-N 1 3 355.526 2.858 50 0 FFAAHO CCn1cc(CN2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@H]3CO)cn1 ZINC000097713537 508229000 /nfs/dbraw/zinc/22/90/00/508229000.db2.gz VVGVLEUYLQRFPK-FQEVSTJZSA-N 1 3 372.513 2.593 50 0 FFAAHO CCn1cc(CN2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@H]3CO)cn1 ZINC000097713537 508229003 /nfs/dbraw/zinc/22/90/03/508229003.db2.gz VVGVLEUYLQRFPK-FQEVSTJZSA-N 1 3 372.513 2.593 50 0 FFAAHO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000230217058 509435609 /nfs/dbraw/zinc/43/56/09/509435609.db2.gz BJOOBJUJSMSNNV-JPAWQOSXSA-N 1 3 374.525 2.579 50 0 FFAAHO CN(C)CCOc1ccccc1-c1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000534652323 517982301 /nfs/dbraw/zinc/98/23/01/517982301.db2.gz JSMYBMUXJITFPE-KRWDZBQOSA-N 1 3 367.493 2.715 50 0 FFAAHO C[C@H]1CN(CCCC[NH2+]Cc2cnc3ccc(Cl)cn23)C[C@H](C)O1 ZINC000078868882 524590589 /nfs/dbraw/zinc/59/05/89/524590589.db2.gz AMALVYRXJSBSOG-GJZGRUSLSA-N 1 3 350.894 2.967 50 0 FFAAHO COc1cccc(C[C@@H](C)[N@H+]2CCC(=O)N(CCN3CCCCC3)CC2)c1 ZINC000011970237 987835905 /nfs/dbraw/zinc/83/59/05/987835905.db2.gz SLDDJDBYEMPTCM-LJQANCHMSA-N 1 3 373.541 2.646 50 0 FFAAHO COc1cccc(C[C@@H](C)[N@@H+]2CCC(=O)N(CCN3CCCCC3)CC2)c1 ZINC000011970237 987835913 /nfs/dbraw/zinc/83/59/13/987835913.db2.gz SLDDJDBYEMPTCM-LJQANCHMSA-N 1 3 373.541 2.646 50 0 FFAAHO Cc1ccc(C2(CN(C)C[C@H]3Cc4ccccc4O3)CC[NH2+]CC2)nc1 ZINC000065410163 205348942 /nfs/dbraw/zinc/34/89/42/205348942.db2.gz VVLREIYYBILSQB-LJQANCHMSA-N 1 3 351.494 2.947 50 0 FFAAHO c1ccc(CN2CCCO[C@H](CN3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000170616852 206275881 /nfs/dbraw/zinc/27/58/81/206275881.db2.gz TYWYNSCZJLXCTE-YADHBBJMSA-N 1 3 357.542 2.695 50 0 FFAAHO C[C@@H](C1CC1)n1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000186801150 251264624 /nfs/dbraw/zinc/26/46/24/251264624.db2.gz GCFMIEKHIKYOPR-HNNXBMFYSA-N 1 3 374.533 2.534 50 0 FFAAHO CC(C)[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012210376 506836528 /nfs/dbraw/zinc/83/65/28/506836528.db2.gz SEMXFSQIUDYJFF-UHFFFAOYSA-N 1 3 367.921 2.883 50 0 FFAAHO O=C1CC[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072407992 507784753 /nfs/dbraw/zinc/78/47/53/507784753.db2.gz SYGATBZQFZKTHL-AZUAARDMSA-N 1 3 359.489 2.638 50 0 FFAAHO CN1CC2(C[C@H]1C(=O)N1CCC3(CCc4ccccc43)CC1)CC[NH2+]CC2 ZINC000072411469 507785303 /nfs/dbraw/zinc/78/53/03/507785303.db2.gz WIXDRICRWVSIKX-FQEVSTJZSA-N 1 3 367.537 2.567 50 0 FFAAHO CCC[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000095504687 508191150 /nfs/dbraw/zinc/19/11/50/508191150.db2.gz KLFHIHHVKRVJQV-UHFFFAOYSA-N 1 3 367.921 2.885 50 0 FFAAHO C[C@H]1CCCN(CCNC(=O)c2ccc(Cl)cc2OCCC[NH3+])C1 ZINC000426647925 514005170 /nfs/dbraw/zinc/00/51/70/514005170.db2.gz NBCHURPQGUGSCD-AWEZNQCLSA-N 1 3 353.894 2.529 50 0 FFAAHO O=C(NCC[NH+]1CCCC1)[C@@H]1OCCN(C2CCCC2)[C@H]1c1ccccc1 ZINC000675010896 971485342 /nfs/dbraw/zinc/48/53/42/971485342.db2.gz NKSJGDFSERBWNK-LEWJYISDSA-N 1 3 371.525 2.583 50 0 FFAAHO Cc1nn(CCO)c(C)c1CN(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000952962486 1011012597 /nfs/dbraw/zinc/01/25/97/1011012597.db2.gz CBACILFRGAQQBL-UHFFFAOYSA-N 1 3 370.541 2.836 50 0 FFAAHO c1cn(-c2ccc(C[NH+]3CCCC3)cc2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072433691 205547661 /nfs/dbraw/zinc/54/76/61/205547661.db2.gz IBRUUUODFQJUBE-UHFFFAOYSA-N 1 3 362.481 2.825 50 0 FFAAHO COc1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095391166 205751760 /nfs/dbraw/zinc/75/17/60/205751760.db2.gz BAGJYQPHOOCICH-SFHVURJKSA-N 1 3 370.497 2.863 50 0 FFAAHO CC(C)(C)C[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012305155 506847416 /nfs/dbraw/zinc/84/74/16/506847416.db2.gz FTYIRHBFMPVUNC-IBGZPJMESA-N 1 3 372.557 2.920 50 0 FFAAHO CC(C)NC(=O)C1CCN(C2CC[NH+]([C@@H](C)Cc3cccnc3)CC2)CC1 ZINC000012431869 506864120 /nfs/dbraw/zinc/86/41/20/506864120.db2.gz OANWVUPRCDFWDH-SFHVURJKSA-N 1 3 372.557 2.714 50 0 FFAAHO CCCNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071419478 507703862 /nfs/dbraw/zinc/70/38/62/507703862.db2.gz NZBYOTIEYIEXFM-FQEVSTJZSA-N 1 3 369.553 2.856 50 0 FFAAHO CCCN1CC2(C[C@@H]1C(=O)NCCCc1ccccc1)CC[NH+](C)CC2 ZINC000072418489 507786003 /nfs/dbraw/zinc/78/60/03/507786003.db2.gz VSFXHWAQGVSVCE-HXUWFJFHSA-N 1 3 357.542 2.932 50 0 FFAAHO Cc1ccc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c(F)c1 ZINC000091586753 507993845 /nfs/dbraw/zinc/99/38/45/507993845.db2.gz AUKDSCUOHHKWJZ-UHFFFAOYSA-N 1 3 361.505 2.900 50 0 FFAAHO CC(=O)c1ccc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1 ZINC000091650536 507999914 /nfs/dbraw/zinc/99/99/14/507999914.db2.gz PUZIUEWQGVVZPQ-UHFFFAOYSA-N 1 3 371.525 2.655 50 0 FFAAHO CN(C)CCOc1ccccc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261645913 510011701 /nfs/dbraw/zinc/01/17/01/510011701.db2.gz CQVRAEAOAAIDIE-UHFFFAOYSA-N 1 3 357.429 2.664 50 0 FFAAHO CC(C)(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1 ZINC000095358116 1028546545 /nfs/dbraw/zinc/54/65/45/1028546545.db2.gz IFEIVXNZGNBWHU-NHCUHLMSSA-N 1 3 374.569 2.729 50 0 FFAAHO CC(C)(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1 ZINC000095358116 1028546552 /nfs/dbraw/zinc/54/65/52/1028546552.db2.gz IFEIVXNZGNBWHU-NHCUHLMSSA-N 1 3 374.569 2.729 50 0 FFAAHO Cc1c(C[N@@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cnn1C ZINC000012308826 506847161 /nfs/dbraw/zinc/84/71/61/506847161.db2.gz FRHCFWBJLSZJEV-FQEVSTJZSA-N 1 3 353.514 2.858 50 0 FFAAHO Cc1c(C[N@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cnn1C ZINC000012308826 506847163 /nfs/dbraw/zinc/84/71/63/506847163.db2.gz FRHCFWBJLSZJEV-FQEVSTJZSA-N 1 3 353.514 2.858 50 0 FFAAHO CN1CC2(C[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1)CC[NH2+]CC2 ZINC000072454685 507793226 /nfs/dbraw/zinc/79/32/26/507793226.db2.gz PNIYJOKZTPBDQI-SFHVURJKSA-N 1 3 361.917 2.905 50 0 FFAAHO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000222323959 509314031 /nfs/dbraw/zinc/31/40/31/509314031.db2.gz BJOOBJUJSMSNNV-VQQMMKBISA-N 1 3 374.525 2.579 50 0 FFAAHO Cn1c(CNCC2(c3ccc(F)cc3)CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244794631 509872040 /nfs/dbraw/zinc/87/20/40/509872040.db2.gz QQSAXIUWIHTXMS-CZIWCDLHSA-N 1 3 357.477 2.761 50 0 FFAAHO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000426495545 513959227 /nfs/dbraw/zinc/95/92/27/513959227.db2.gz AQUVNVFFWNONLK-OAQYLSRUSA-N 1 3 367.497 2.868 50 0 FFAAHO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000426495545 513959233 /nfs/dbraw/zinc/95/92/33/513959233.db2.gz AQUVNVFFWNONLK-OAQYLSRUSA-N 1 3 367.497 2.868 50 0 FFAAHO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000426495544 513959573 /nfs/dbraw/zinc/95/95/73/513959573.db2.gz AQUVNVFFWNONLK-NRFANRHFSA-N 1 3 367.497 2.868 50 0 FFAAHO COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000426495544 513959582 /nfs/dbraw/zinc/95/95/82/513959582.db2.gz AQUVNVFFWNONLK-NRFANRHFSA-N 1 3 367.497 2.868 50 0 FFAAHO C[C@@H]1CCCN(CCNC(=O)c2ccc(Cl)cc2OCCC[NH3+])C1 ZINC000426647926 514005074 /nfs/dbraw/zinc/00/50/74/514005074.db2.gz NBCHURPQGUGSCD-CQSZACIVSA-N 1 3 353.894 2.529 50 0 FFAAHO COCC[N@H+](C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542448 523733134 /nfs/dbraw/zinc/73/31/34/523733134.db2.gz WUHGZBFLZGLEEF-IBGZPJMESA-N 1 3 372.553 2.993 50 0 FFAAHO COCC[N@@H+](C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542448 523733138 /nfs/dbraw/zinc/73/31/38/523733138.db2.gz WUHGZBFLZGLEEF-IBGZPJMESA-N 1 3 372.553 2.993 50 0 FFAAHO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542448 523733141 /nfs/dbraw/zinc/73/31/41/523733141.db2.gz WUHGZBFLZGLEEF-IBGZPJMESA-N 1 3 372.553 2.993 50 0 FFAAHO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542448 523733145 /nfs/dbraw/zinc/73/31/45/523733145.db2.gz WUHGZBFLZGLEEF-IBGZPJMESA-N 1 3 372.553 2.993 50 0 FFAAHO Cc1ncc(C[N@@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)n1C ZINC000020601770 527258251 /nfs/dbraw/zinc/25/82/51/527258251.db2.gz YYSVUOUITRGSKN-FQEVSTJZSA-N 1 3 353.514 2.858 50 0 FFAAHO Cc1ncc(C[N@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)n1C ZINC000020601770 527258253 /nfs/dbraw/zinc/25/82/53/527258253.db2.gz YYSVUOUITRGSKN-FQEVSTJZSA-N 1 3 353.514 2.858 50 0 FFAAHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012304244 207354802 /nfs/dbraw/zinc/35/48/02/207354802.db2.gz DKKUZKSVXCEDAF-GOSISDBHSA-N 1 3 372.557 2.920 50 0 FFAAHO CC(C)C[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012435708 207374937 /nfs/dbraw/zinc/37/49/37/207374937.db2.gz PXXSPYATIXOOMH-IBGZPJMESA-N 1 3 358.530 2.530 50 0 FFAAHO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(C3CCCC3)CC2)CC1 ZINC000012435530 207375270 /nfs/dbraw/zinc/37/52/70/207375270.db2.gz LGRKOCIJXCMZRC-UHFFFAOYSA-N 1 3 370.541 2.817 50 0 FFAAHO Cc1ccc(C2(CN3CCC(Oc4cccnc4)CC3)CC[NH2+]CC2)nc1 ZINC000065385409 506290176 /nfs/dbraw/zinc/29/01/76/506290176.db2.gz FVPNTARQXHYNQC-UHFFFAOYSA-N 1 3 366.509 2.950 50 0 FFAAHO CC(C)CC[N@@H+]1CCN(C2CCN(Cc3ccco3)CC2)C[C@@H]1CCO ZINC000023374003 507349678 /nfs/dbraw/zinc/34/96/78/507349678.db2.gz DAWBALZFMIMGAU-FQEVSTJZSA-N 1 3 363.546 2.659 50 0 FFAAHO CC(C)CC[N@H+]1CCN(C2CCN(Cc3ccco3)CC2)C[C@@H]1CCO ZINC000023374003 507349684 /nfs/dbraw/zinc/34/96/84/507349684.db2.gz DAWBALZFMIMGAU-FQEVSTJZSA-N 1 3 363.546 2.659 50 0 FFAAHO O=C(NCc1ccccn1)[C@H]1CCCN(C2CC[NH+](CC3CCC3)CC2)C1 ZINC000071774695 507716623 /nfs/dbraw/zinc/71/66/23/507716623.db2.gz IIVVHUVBQMVDFE-IBGZPJMESA-N 1 3 370.541 2.674 50 0 FFAAHO CN1CC2(C[C@@H]1C(=O)N1CCC3(CCc4ccccc43)CC1)CC[NH2+]CC2 ZINC000072411468 507785508 /nfs/dbraw/zinc/78/55/08/507785508.db2.gz WIXDRICRWVSIKX-HXUWFJFHSA-N 1 3 367.537 2.567 50 0 FFAAHO CN1CCCCC[C@H]1C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000091604271 507995750 /nfs/dbraw/zinc/99/57/50/507995750.db2.gz NOGMCNKMRKIIGV-NRFANRHFSA-N 1 3 355.526 2.563 50 0 FFAAHO CN1CCCCC[C@H]1C(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000091604271 507995752 /nfs/dbraw/zinc/99/57/52/507995752.db2.gz NOGMCNKMRKIIGV-NRFANRHFSA-N 1 3 355.526 2.563 50 0 FFAAHO NCc1cn(C[C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)nn1 ZINC000023369011 969273612 /nfs/dbraw/zinc/27/36/12/969273612.db2.gz PMFSAGLZRBXHDI-GOSISDBHSA-N 1 3 362.481 2.711 50 0 FFAAHO NCc1cn(C[C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)nn1 ZINC000023369011 969273615 /nfs/dbraw/zinc/27/36/15/969273615.db2.gz PMFSAGLZRBXHDI-GOSISDBHSA-N 1 3 362.481 2.711 50 0 FFAAHO O[C@H]1C[N@H+](Cc2cc(CN3CCCC3)cs2)C[C@H]1Cc1ccncc1 ZINC001529173855 1062202339 /nfs/dbraw/zinc/20/23/39/1062202339.db2.gz QORYBYJAMNQDSI-QUCCMNQESA-N 1 3 357.523 2.774 50 0 FFAAHO O[C@H]1C[N@@H+](Cc2cc(CN3CCCC3)cs2)C[C@H]1Cc1ccncc1 ZINC001529173855 1062202348 /nfs/dbraw/zinc/20/23/48/1062202348.db2.gz QORYBYJAMNQDSI-QUCCMNQESA-N 1 3 357.523 2.774 50 0 FFAAHO Cc1cccc(CCNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000011821990 207324063 /nfs/dbraw/zinc/32/40/63/207324063.db2.gz BNZXHLGEQLBRJQ-LJQANCHMSA-N 1 3 372.557 2.634 50 0 FFAAHO Cc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)c2ccccc2n1 ZINC000091426796 132201816 /nfs/dbraw/zinc/20/18/16/132201816.db2.gz KNTDCWAXNZOUDV-RTWAWAEBSA-N 1 3 369.509 2.841 50 0 FFAAHO NCc1cn(C[C@H]2CCC[N@H+](C/C=C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000023581052 507360113 /nfs/dbraw/zinc/36/01/13/507360113.db2.gz MGJITHODMKRYGR-QLHIAVGWSA-N 1 3 355.461 2.858 50 0 FFAAHO NCc1cn(C[C@H]2CCC[N@@H+](C/C=C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000023581052 507360117 /nfs/dbraw/zinc/36/01/17/507360117.db2.gz MGJITHODMKRYGR-QLHIAVGWSA-N 1 3 355.461 2.858 50 0 FFAAHO Cc1cccc(OCC(=O)N2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)c1C ZINC000072143798 507756056 /nfs/dbraw/zinc/75/60/56/507756056.db2.gz KTTQQHPEMCJWLU-IBGZPJMESA-N 1 3 361.530 2.557 50 0 FFAAHO Cc1cccc(OCC(=O)N2CCC[C@H]([N@H+](C)CCCN(C)C)C2)c1C ZINC000072143798 507756060 /nfs/dbraw/zinc/75/60/60/507756060.db2.gz KTTQQHPEMCJWLU-IBGZPJMESA-N 1 3 361.530 2.557 50 0 FFAAHO Cc1cccc2nc([C@@H]3CCCN(Cc4cc5n(n4)CCC[NH2+]C5)C3)[nH]c21 ZINC000072146636 507758092 /nfs/dbraw/zinc/75/80/92/507758092.db2.gz YXDWARXMDVGMMU-MRXNPFEDSA-N 1 3 364.497 2.941 50 0 FFAAHO CN(C)CCNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072470038 507794551 /nfs/dbraw/zinc/79/45/51/507794551.db2.gz HNWIDLTUXBEGQN-UHFFFAOYSA-N 1 3 359.905 2.773 50 0 FFAAHO Nc1nc(NCCN2CCC(c3ccccc3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000222877861 509323751 /nfs/dbraw/zinc/32/37/51/509323751.db2.gz FRESBEXHGQIXTR-UHFFFAOYSA-N 1 3 366.513 2.555 50 0 FFAAHO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccccc3OCCN(C)C)[C@H]2C1 ZINC000426402121 513928329 /nfs/dbraw/zinc/92/83/29/513928329.db2.gz WCPSCPROCCUYCI-HLAWJBBLSA-N 1 3 362.514 2.785 50 0 FFAAHO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccccc3OCCN(C)C)[C@H]2C1 ZINC000426402121 513928337 /nfs/dbraw/zinc/92/83/37/513928337.db2.gz WCPSCPROCCUYCI-HLAWJBBLSA-N 1 3 362.514 2.785 50 0 FFAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCCc3cccs3)C2)CC1 ZINC000011998623 727813113 /nfs/dbraw/zinc/81/31/13/727813113.db2.gz QNTRBBROEOHCOX-KRWDZBQOSA-N 1 3 363.571 2.992 50 0 FFAAHO COc1ccccc1CCC(=O)N1CCC[C@H]([N@H+](C)CCCN(C)C)C1 ZINC000011771760 207321283 /nfs/dbraw/zinc/32/12/83/207321283.db2.gz GCLFRYKWMPRJSY-IBGZPJMESA-N 1 3 361.530 2.502 50 0 FFAAHO COc1ccccc1CCC(=O)N1CCC[C@H]([N@@H+](C)CCCN(C)C)C1 ZINC000011771760 207321285 /nfs/dbraw/zinc/32/12/85/207321285.db2.gz GCLFRYKWMPRJSY-IBGZPJMESA-N 1 3 361.530 2.502 50 0 FFAAHO CCCc1ccc(CN2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)o1 ZINC000092022589 209010664 /nfs/dbraw/zinc/01/06/64/209010664.db2.gz FUACYDDJIGKAMT-OAQYLSRUSA-N 1 3 361.530 2.998 50 0 FFAAHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2N2CCOCC2)C[C@H](C)O1 ZINC000066990491 132305731 /nfs/dbraw/zinc/30/57/31/132305731.db2.gz QDGPOTIPWBFZRA-OALUTQOASA-N 1 3 361.530 2.502 50 0 FFAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCCOc3ccccc3)C2)CC1 ZINC000014957889 507007929 /nfs/dbraw/zinc/00/79/29/507007929.db2.gz KJHXBBSDCFPZFQ-LJQANCHMSA-N 1 3 373.541 2.766 50 0 FFAAHO COc1ccc(CN2CCC3(CC[NH2+]CC3)CC2)cc1Cn1cccn1 ZINC000072161083 507765360 /nfs/dbraw/zinc/76/53/60/507765360.db2.gz MYLVAUOAJGBIID-UHFFFAOYSA-N 1 3 354.498 2.906 50 0 FFAAHO Cc1ccccc1CN1CCN(C2CC[NH+](C(C)C)CC2)C[C@H]1CCO ZINC000104351382 508332648 /nfs/dbraw/zinc/33/26/48/508332648.db2.gz AOENMNDFDSCWFZ-JOCHJYFZSA-N 1 3 359.558 2.736 50 0 FFAAHO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000252485883 509839722 /nfs/dbraw/zinc/83/97/22/509839722.db2.gz BJOOBJUJSMSNNV-JZJXAQOMSA-N 1 3 374.525 2.579 50 0 FFAAHO Cc1csc(CNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000012702574 727814948 /nfs/dbraw/zinc/81/49/48/727814948.db2.gz DEQZTABFUSGLBT-MRXNPFEDSA-N 1 3 364.559 2.653 50 0 FFAAHO OCc1ccccc1CN1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000063870759 991719090 /nfs/dbraw/zinc/71/90/90/991719090.db2.gz PSHLYYASRAWMLS-RBBKRZOGSA-N 1 3 357.542 2.561 50 0 FFAAHO CCCCOc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000097162667 209172892 /nfs/dbraw/zinc/17/28/92/209172892.db2.gz PSFQIOVHGFIIGB-FPOVZHCZSA-N 1 3 373.541 2.946 50 0 FFAAHO Cc1[nH]c2ccccc2c1CC[NH2+]C1CCN(c2cc(C)nc(N)n2)CC1 ZINC000095371417 132208716 /nfs/dbraw/zinc/20/87/16/132208716.db2.gz YSSARHYZQJGMIO-UHFFFAOYSA-N 1 3 364.497 2.958 50 0 FFAAHO COc1ccc(C[NH+]2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)cc1 ZINC000091707792 508004515 /nfs/dbraw/zinc/00/45/15/508004515.db2.gz XCICATBMCQUHRB-IBGZPJMESA-N 1 3 371.525 2.604 50 0 FFAAHO COCCN1CCC2(CC1)C[N@@H+](C1CCOCC1)Cc1ccccc1O2 ZINC000257195701 509955579 /nfs/dbraw/zinc/95/55/79/509955579.db2.gz WRPOVERHJJAZHY-UHFFFAOYSA-N 1 3 360.498 2.541 50 0 FFAAHO COCCN1CCC2(CC1)C[N@H+](C1CCOCC1)Cc1ccccc1O2 ZINC000257195701 509955584 /nfs/dbraw/zinc/95/55/84/509955584.db2.gz WRPOVERHJJAZHY-UHFFFAOYSA-N 1 3 360.498 2.541 50 0 FFAAHO COc1cc(CN2CCCC[C@H]2CO)ccc1OCC[NH+]1CCCCC1 ZINC000216363612 522373537 /nfs/dbraw/zinc/37/35/37/522373537.db2.gz UTDHDBROPQRVBN-IBGZPJMESA-N 1 3 362.514 2.907 50 0 FFAAHO COc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1OCCN(C)C ZINC000215569663 568077396 /nfs/dbraw/zinc/07/73/96/568077396.db2.gz IZDKFXKKOLFBIF-LJQANCHMSA-N 1 3 361.530 2.696 50 0 FFAAHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000072242424 507771453 /nfs/dbraw/zinc/77/14/53/507771453.db2.gz ZYNXTQSJKUJTIN-CALCHBBNSA-N 1 3 360.477 2.990 50 0 FFAAHO C[C@H](C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1)N1CCOCC1 ZINC000072469751 507794503 /nfs/dbraw/zinc/79/45/03/507794503.db2.gz JYUPLOCUGNUPCO-GOSISDBHSA-N 1 3 354.498 2.805 50 0 FFAAHO OC[C@H]1C[N@H+](Cc2ccccc2)CC12CCN(Cc1ccccn1)CC2 ZINC000169750487 984951648 /nfs/dbraw/zinc/95/16/48/984951648.db2.gz YHJLXDSJFBHGPS-HXUWFJFHSA-N 1 3 351.494 2.788 50 0 FFAAHO OC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCN(Cc1ccccn1)CC2 ZINC000169750487 984951651 /nfs/dbraw/zinc/95/16/51/984951651.db2.gz YHJLXDSJFBHGPS-HXUWFJFHSA-N 1 3 351.494 2.788 50 0 FFAAHO CC(C)(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000012302786 207355500 /nfs/dbraw/zinc/35/55/00/207355500.db2.gz ACHUOHJFFTWAHC-GOSISDBHSA-N 1 3 372.557 2.920 50 0 FFAAHO COc1ccc2ccccc2c1CN1CCC2(CC1)[C@H](O)C[C@@H]2OCC[NH3+] ZINC000092061782 209014611 /nfs/dbraw/zinc/01/46/11/209014611.db2.gz GBFCGQOANSEAQF-RTWAWAEBSA-N 1 3 370.493 2.539 50 0 FFAAHO COc1cc(CN(C)C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000095506259 209065553 /nfs/dbraw/zinc/06/55/53/209065553.db2.gz DNECSQJRIOIPDS-GOSISDBHSA-N 1 3 350.503 2.763 50 0 FFAAHO Cc1c[nH+]ccc1N1CCCN(CCC(=O)NCc2cccs2)CC1 ZINC000065526144 506316407 /nfs/dbraw/zinc/31/64/07/506316407.db2.gz LPRAVNUHVOIEFG-UHFFFAOYSA-N 1 3 358.511 2.670 50 0 FFAAHO COCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000015074527 507018601 /nfs/dbraw/zinc/01/86/01/507018601.db2.gz CRSQRZYCYKJVQU-IBGZPJMESA-N 1 3 365.562 2.602 50 0 FFAAHO COCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000015074527 507018605 /nfs/dbraw/zinc/01/86/05/507018605.db2.gz CRSQRZYCYKJVQU-IBGZPJMESA-N 1 3 365.562 2.602 50 0 FFAAHO Cc1nc(NCCN2CCc3ccccc3C2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067907962 507048637 /nfs/dbraw/zinc/04/86/37/507048637.db2.gz XIRHIIOYMCUUJE-SFHVURJKSA-N 1 3 351.498 2.722 50 0 FFAAHO C[C@@H](C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1)N1CCOCC1 ZINC000072469749 507794916 /nfs/dbraw/zinc/79/49/16/507794916.db2.gz JYUPLOCUGNUPCO-SFHVURJKSA-N 1 3 354.498 2.805 50 0 FFAAHO C[NH+]1CCC(C(=O)N2CCC[C@@H]3CN(Cc4ccc(F)cc4)CC[C@H]32)CC1 ZINC000299802814 511685978 /nfs/dbraw/zinc/68/59/78/511685978.db2.gz WTJOIIUXGBMKNQ-TZIWHRDSSA-N 1 3 373.516 2.980 50 0 FFAAHO Cc1cc(C)c(C[N@H+]2CCCC[C@H](N(C)C)C2)cc1CN1CCN(C)CC1 ZINC000082098786 524260070 /nfs/dbraw/zinc/26/00/70/524260070.db2.gz HJUOUEVTKVDRIQ-QHCPKHFHSA-N 1 3 372.601 2.967 50 0 FFAAHO Cc1cc(C)c(C[N@@H+]2CCCC[C@H](N(C)C)C2)cc1CN1CCN(C)CC1 ZINC000082098786 524260077 /nfs/dbraw/zinc/26/00/77/524260077.db2.gz HJUOUEVTKVDRIQ-QHCPKHFHSA-N 1 3 372.601 2.967 50 0 FFAAHO Cc1cc(C)c(CN2CCCC[C@H]([NH+](C)C)C2)cc1CN1CCN(C)CC1 ZINC000082098786 524260080 /nfs/dbraw/zinc/26/00/80/524260080.db2.gz HJUOUEVTKVDRIQ-QHCPKHFHSA-N 1 3 372.601 2.967 50 0 FFAAHO COc1ccc(OC[C@H](O)CN(C)C)c(C[NH2+]C2CCCCCC2)c1 ZINC000012000037 207333047 /nfs/dbraw/zinc/33/30/47/207333047.db2.gz BSVVEPKSAWEVLG-GOSISDBHSA-N 1 3 350.503 2.809 50 0 FFAAHO CCCS(=O)(=O)C(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000055136766 506685120 /nfs/dbraw/zinc/68/51/20/506685120.db2.gz SUEJCDUUBNMTJT-MRXNPFEDSA-N 1 3 366.527 2.502 50 0 FFAAHO c1nnc(CNC2CCC3(CC[NH2+]CC3)CC2)n1CCc1ccccc1 ZINC000067851431 507026852 /nfs/dbraw/zinc/02/68/52/507026852.db2.gz HJQFVENBDJXPMP-UHFFFAOYSA-N 1 3 353.514 2.923 50 0 FFAAHO CN1CCCCC[C@@H]1C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000091604266 507995888 /nfs/dbraw/zinc/99/58/88/507995888.db2.gz NOGMCNKMRKIIGV-OAQYLSRUSA-N 1 3 355.526 2.563 50 0 FFAAHO CN1CCCCC[C@@H]1C(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000091604266 507995891 /nfs/dbraw/zinc/99/58/91/507995891.db2.gz NOGMCNKMRKIIGV-OAQYLSRUSA-N 1 3 355.526 2.563 50 0 FFAAHO Cc1ccccc1-n1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cn1 ZINC000215077588 509244785 /nfs/dbraw/zinc/24/47/85/509244785.db2.gz HTBKNEGSCPSRGN-UHFFFAOYSA-N 1 3 367.541 2.640 50 0 FFAAHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000216074012 509256291 /nfs/dbraw/zinc/25/62/91/509256291.db2.gz GZUGFCQEBJOBMZ-IBGZPJMESA-N 1 3 367.541 2.845 50 0 FFAAHO CC(C)C[N@@H+]1CC[C@@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 ZINC000257194190 509953894 /nfs/dbraw/zinc/95/38/94/509953894.db2.gz STGXBNUMOLSBER-LJQANCHMSA-N 1 3 353.514 2.782 50 0 FFAAHO CC(C)C[N@H+]1CC[C@@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 ZINC000257194190 509953900 /nfs/dbraw/zinc/95/39/00/509953900.db2.gz STGXBNUMOLSBER-LJQANCHMSA-N 1 3 353.514 2.782 50 0 FFAAHO Cc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCCC4)N(C)C3)CC2)s1 ZINC000675011333 971490135 /nfs/dbraw/zinc/49/01/35/971490135.db2.gz SLAXVLPZVGGKPY-GOSISDBHSA-N 1 3 361.555 2.965 50 0 FFAAHO CN(C[C@H]1CC[C@@H](Cc2ccc3c(cnn3C)c2)O1)C1CC[NH+](C)CC1 ZINC000072419662 1019891158 /nfs/dbraw/zinc/89/11/58/1019891158.db2.gz DCUJIQDXLQNKPN-VQTJNVASSA-N 1 3 356.514 2.689 50 0 FFAAHO [NH3+]CCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072161048 507765152 /nfs/dbraw/zinc/76/51/52/507765152.db2.gz HRAJYQCPNQWQSE-CEWLAPEOSA-N 1 3 359.489 2.733 50 0 FFAAHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCN(Cc1cccnc1)CC2 ZINC000169791323 984968616 /nfs/dbraw/zinc/96/86/16/984968616.db2.gz BUKNZMZWZOHSSN-NRFANRHFSA-N 1 3 351.494 2.788 50 0 FFAAHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCN(Cc1cccnc1)CC2 ZINC000169791323 984968620 /nfs/dbraw/zinc/96/86/20/984968620.db2.gz BUKNZMZWZOHSSN-NRFANRHFSA-N 1 3 351.494 2.788 50 0 FFAAHO O[C@H]1[C@H](NCCOc2ccccc2F)c2ccccc2C12CC[NH2+]CC2 ZINC000072156082 1019834408 /nfs/dbraw/zinc/83/44/08/1019834408.db2.gz OTLVZTWGWVJMPK-UXHICEINSA-N 1 3 356.441 2.531 50 0 FFAAHO O[C@@]1(CN2CCC(Cc3noc(C4CC4)n3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063848520 212033490 /nfs/dbraw/zinc/03/34/90/212033490.db2.gz VDYCVMFHEDSDTD-WIYYLYMNSA-N 1 3 374.529 2.581 50 0 FFAAHO O[C@@]1(CN2CCC(Cc3noc(C4CC4)n3)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063848520 212033495 /nfs/dbraw/zinc/03/34/95/212033495.db2.gz VDYCVMFHEDSDTD-WIYYLYMNSA-N 1 3 374.529 2.581 50 0 FFAAHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000058055592 507368783 /nfs/dbraw/zinc/36/87/83/507368783.db2.gz GYTPJOGYJGCBFB-UHFFFAOYSA-N 1 3 370.541 2.574 50 0 FFAAHO Cc1c2ccccc2oc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072410754 507785767 /nfs/dbraw/zinc/78/57/67/507785767.db2.gz ARTPSMILLVBCOH-FUHWJXTLSA-N 1 3 355.482 2.903 50 0 FFAAHO CCCN1CC2(C[C@@H]1C(=O)NCCOc1ccccc1C)CC[NH+](C)CC2 ZINC000072431609 507790675 /nfs/dbraw/zinc/79/06/75/507790675.db2.gz IAFQVWDLIPATBP-LJQANCHMSA-N 1 3 373.541 2.686 50 0 FFAAHO Cc1nc2ccccc2nc1CN1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077387864 508308668 /nfs/dbraw/zinc/30/86/68/508308668.db2.gz XHDGHIXTFQZMSC-SFHVURJKSA-N 1 3 367.541 2.786 50 0 FFAAHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3ccc(Cl)cn23)C[C@H](C)O1 ZINC000078868880 524941684 /nfs/dbraw/zinc/94/16/84/524941684.db2.gz AMALVYRXJSBSOG-GASCZTMLSA-N 1 3 350.894 2.967 50 0 FFAAHO CN(C)CCN(C)[C@@H]1CCC[N@@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000023478383 535854847 /nfs/dbraw/zinc/85/48/47/535854847.db2.gz WIYOCAKOTMEWPQ-LJQANCHMSA-N 1 3 362.537 2.752 50 0 FFAAHO CN(C)CCN(C)[C@@H]1CCC[N@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000023478383 535854852 /nfs/dbraw/zinc/85/48/52/535854852.db2.gz WIYOCAKOTMEWPQ-LJQANCHMSA-N 1 3 362.537 2.752 50 0 FFAAHO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000007346263 506555181 /nfs/dbraw/zinc/55/51/81/506555181.db2.gz SLCWQNRLCOQURR-HDICACEKSA-N 1 3 358.530 2.745 50 0 FFAAHO CC[NH+]1CCC(N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000019867454 507202903 /nfs/dbraw/zinc/20/29/03/507202903.db2.gz VVYQVRDLKQKOFZ-JOCHJYFZSA-N 1 3 374.548 2.896 50 0 FFAAHO O[C@H](COc1ccc(CN2CCC(F)CC2)cc1)C[NH+]1CCCCC1 ZINC000095508539 508192799 /nfs/dbraw/zinc/19/27/99/508192799.db2.gz JKOXKIAUGIXKQJ-IBGZPJMESA-N 1 3 350.478 2.846 50 0 FFAAHO C[C@H]1CN(CCCC[NH2+]Cc2c(Cl)nc3ccccn32)C[C@H](C)O1 ZINC000237608116 509688662 /nfs/dbraw/zinc/68/86/62/509688662.db2.gz NAYRYFUOPYNRMS-GJZGRUSLSA-N 1 3 350.894 2.967 50 0 FFAAHO O=C(NC[C@H](c1ccccc1)N1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000426444866 513942578 /nfs/dbraw/zinc/94/25/78/513942578.db2.gz DCFPSZLWQAZTEV-HXUWFJFHSA-N 1 3 370.541 2.999 50 0 FFAAHO OCCn1ccc([C@@H]2CCC[N@H+](Cc3cc(CN4CCCC4)cs3)C2)n1 ZINC000426504399 513962635 /nfs/dbraw/zinc/96/26/35/513962635.db2.gz BELHUBMXPJEKIP-GOSISDBHSA-N 1 3 374.554 2.912 50 0 FFAAHO OCCn1ccc([C@@H]2CCC[N@@H+](Cc3cc(CN4CCCC4)cs3)C2)n1 ZINC000426504399 513962642 /nfs/dbraw/zinc/96/26/42/513962642.db2.gz BELHUBMXPJEKIP-GOSISDBHSA-N 1 3 374.554 2.912 50 0 FFAAHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCCN(CCCc2ccccc2)CC1 ZINC000082091535 526461739 /nfs/dbraw/zinc/46/17/39/526461739.db2.gz NFRHREMPQOQGCN-FQEVSTJZSA-N 1 3 355.526 2.543 50 0 FFAAHO COC[C@H]1CN(Cc2ccc(OC)c(OC)c2Cl)CC12CC[NH2+]CC2 ZINC000169782386 728982895 /nfs/dbraw/zinc/98/28/95/728982895.db2.gz KWGAJGYFYMFFSC-OAHLLOKOSA-N 1 3 368.905 2.805 50 0 FFAAHO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(Cn3cc(CN)nn3)CC2)c1C ZINC000023368337 969272543 /nfs/dbraw/zinc/27/25/43/969272543.db2.gz OJKLHEGUQKORPY-UHFFFAOYSA-N 1 3 369.513 2.777 50 0 FFAAHO COc1ccccc1C[NH+]1CCC2(CCC(=O)N([C@@H]3CCN(C)C3)C2)CC1 ZINC000092065060 221834667 /nfs/dbraw/zinc/83/46/67/221834667.db2.gz ATPPFBHKLTWSMP-LJQANCHMSA-N 1 3 371.525 2.604 50 0 FFAAHO C[C@@H](Cc1ccccc1F)[NH+]1CCC(Cn2cc(C(C)(C)N)nn2)CC1 ZINC000020149174 507213664 /nfs/dbraw/zinc/21/36/64/507213664.db2.gz FFGOOYSXBNKZFY-HNNXBMFYSA-N 1 3 359.493 2.954 50 0 FFAAHO CCc1cccc(OCCCN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072454441 507793463 /nfs/dbraw/zinc/79/34/63/507793463.db2.gz VFKSKQSECVDEPO-HXUWFJFHSA-N 1 3 373.541 2.550 50 0 FFAAHO Cc1c2ccccc2[nH]c1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072477805 507796951 /nfs/dbraw/zinc/79/69/51/507796951.db2.gz PZKJXQAWSNGVLQ-OXJNMPFZSA-N 1 3 354.498 2.638 50 0 FFAAHO COc1ccc(OC[C@H](O)C[NH+](C)C)c(CN2CCC3(CCCC3)C2)c1 ZINC000095506720 508191866 /nfs/dbraw/zinc/19/18/66/508191866.db2.gz WFYJIUONXQKFGR-GOSISDBHSA-N 1 3 362.514 2.763 50 0 FFAAHO CCC[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1NC(C)=O ZINC000082109350 508226319 /nfs/dbraw/zinc/22/63/19/508226319.db2.gz IQDHACIZDNNXKP-IFMALSPDSA-N 1 3 357.542 2.930 50 0 FFAAHO CN(C(=O)CC1CCN(C)CC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000486661597 515586007 /nfs/dbraw/zinc/58/60/07/515586007.db2.gz XSYIOHTVAPRHBG-UHFFFAOYSA-N 1 3 359.514 2.856 50 0 FFAAHO O[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1Cc1ccccn1 ZINC001529118995 1062170753 /nfs/dbraw/zinc/17/07/53/1062170753.db2.gz RATVORHKUHLSMH-NFBKMPQASA-N 1 3 365.521 2.624 50 0 FFAAHO COc1ccc(CNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014949077 211106841 /nfs/dbraw/zinc/10/68/41/211106841.db2.gz ZAFMKCXVCCQWGF-IBGZPJMESA-N 1 3 373.541 2.896 50 0 FFAAHO COc1ccc(OC[C@@H](O)CN(C)C)c(C[NH2+]C2CCCCCC2)c1 ZINC000012000034 506808054 /nfs/dbraw/zinc/80/80/54/506808054.db2.gz BSVVEPKSAWEVLG-SFHVURJKSA-N 1 3 350.503 2.809 50 0 FFAAHO CC(C)(O)CCc1ccc(CN2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000072418519 507786530 /nfs/dbraw/zinc/78/65/30/507786530.db2.gz NVQXCMKPUJCEIC-UHFFFAOYSA-N 1 3 360.542 2.813 50 0 FFAAHO CN1CC2(C[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000072430536 507789652 /nfs/dbraw/zinc/78/96/52/507789652.db2.gz IDSAJYGFKKFRGU-HNNXBMFYSA-N 1 3 356.297 2.684 50 0 FFAAHO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](C1CCNCC1)CC2 ZINC000091988239 508030418 /nfs/dbraw/zinc/03/04/18/508030418.db2.gz FBXJVRAQRWITDZ-UHFFFAOYSA-N 1 3 363.452 2.531 50 0 FFAAHO CN(C)CCOc1cccc(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)c1 ZINC000012387275 506857307 /nfs/dbraw/zinc/85/73/07/506857307.db2.gz VCUVOVTXFBZFBR-UHFFFAOYSA-N 1 3 373.541 2.898 50 0 FFAAHO c1ccc(-c2nc3c(c(NCCC45CCC[NH+]4CCC5)n2)CCNC3)nc1 ZINC000072132906 507753467 /nfs/dbraw/zinc/75/34/67/507753467.db2.gz RTDYPLXLLGCZOE-UHFFFAOYSA-N 1 3 364.497 2.615 50 0 FFAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000072154582 507763417 /nfs/dbraw/zinc/76/34/17/507763417.db2.gz SZNGHOKDMQFBKQ-SFHVURJKSA-N 1 3 358.530 2.533 50 0 FFAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000072154582 507763419 /nfs/dbraw/zinc/76/34/19/507763419.db2.gz SZNGHOKDMQFBKQ-SFHVURJKSA-N 1 3 358.530 2.533 50 0 FFAAHO CCc1cccc(OCCCN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072454440 507793045 /nfs/dbraw/zinc/79/30/45/507793045.db2.gz VFKSKQSECVDEPO-FQEVSTJZSA-N 1 3 373.541 2.550 50 0 FFAAHO COc1cc(CN(C)C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000095506260 508191905 /nfs/dbraw/zinc/19/19/05/508191905.db2.gz DNECSQJRIOIPDS-SFHVURJKSA-N 1 3 350.503 2.763 50 0 FFAAHO [NH3+][C@@H]1[C@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)[C@@H]2CC[C@H]1C2 ZINC000082121608 508226062 /nfs/dbraw/zinc/22/60/62/508226062.db2.gz VZZACXJKRQONLX-MHTWAQMVSA-N 1 3 355.526 2.527 50 0 FFAAHO COc1cc(CN(C)C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000020867007 522347764 /nfs/dbraw/zinc/34/77/64/522347764.db2.gz HNNABIJFEZPISZ-SFHVURJKSA-N 1 3 350.503 2.761 50 0 FFAAHO COc1cc(CN(C)C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000020867007 522347773 /nfs/dbraw/zinc/34/77/73/522347773.db2.gz HNNABIJFEZPISZ-SFHVURJKSA-N 1 3 350.503 2.761 50 0 FFAAHO CC(C)c1noc(C2CC[NH+](C[C@]3(O)CCCN4CCCC[C@@H]43)CC2)n1 ZINC000063872545 212035872 /nfs/dbraw/zinc/03/58/72/212035872.db2.gz IDOXSMYAIMDYEQ-YLJYHZDGSA-N 1 3 362.518 2.752 50 0 FFAAHO Cc1cc(N2CCN(CC(C)(C)N3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000065382989 221207822 /nfs/dbraw/zinc/20/78/22/221207822.db2.gz SYFAVYCROMVKFY-UHFFFAOYSA-N 1 3 368.525 2.776 50 0 FFAAHO O=C(NCc1cccnc1)[C@@H]1CCCN(C2CC[NH+](CC3CCC3)CC2)C1 ZINC000071415670 221346635 /nfs/dbraw/zinc/34/66/35/221346635.db2.gz YCIJREJKGKECIR-HXUWFJFHSA-N 1 3 370.541 2.674 50 0 FFAAHO CC(C)CC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000011820924 506797507 /nfs/dbraw/zinc/79/75/07/506797507.db2.gz WMWRPSRPPIWDOC-LJQANCHMSA-N 1 3 372.557 2.920 50 0 FFAAHO CC(C)NC(=O)C1CCN(C2CC[NH+]([C@H](C)Cc3cccnc3)CC2)CC1 ZINC000012431870 506863213 /nfs/dbraw/zinc/86/32/13/506863213.db2.gz OANWVUPRCDFWDH-GOSISDBHSA-N 1 3 372.557 2.714 50 0 FFAAHO C[C@H](Cc1ccccc1F)[NH+]1CCC(Cn2cc(C(C)(C)N)nn2)CC1 ZINC000020149175 507213317 /nfs/dbraw/zinc/21/33/17/507213317.db2.gz FFGOOYSXBNKZFY-OAHLLOKOSA-N 1 3 359.493 2.954 50 0 FFAAHO O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(C[C@H]1CC[NH2+]C1)CC2 ZINC000077354915 508304496 /nfs/dbraw/zinc/30/44/96/508304496.db2.gz BJHSMMNEAIWYKH-KRWDZBQOSA-N 1 3 361.917 2.764 50 0 FFAAHO Cc1noc(C2CC2)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122564880 508554883 /nfs/dbraw/zinc/55/48/83/508554883.db2.gz PJZVNXBYULGLIK-UHFFFAOYSA-N 1 3 361.490 2.541 50 0 FFAAHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000534673733 517993795 /nfs/dbraw/zinc/99/37/95/517993795.db2.gz VUTSMIXELODJLA-HNNXBMFYSA-N 1 3 352.548 2.552 50 0 FFAAHO C[C@H](c1ccccn1)N(C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000952977425 1011020767 /nfs/dbraw/zinc/02/07/67/1011020767.db2.gz IBWPJUWRNVZALX-LJQANCHMSA-N 1 3 368.525 2.901 50 0 FFAAHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2N2CCOCC2)C[C@H](C)O1 ZINC000066990490 132305846 /nfs/dbraw/zinc/30/58/46/132305846.db2.gz QDGPOTIPWBFZRA-KDURUIRLSA-N 1 3 361.530 2.502 50 0 FFAAHO CCN(CC)CC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012577773 506880287 /nfs/dbraw/zinc/88/02/87/506880287.db2.gz DQWDFRZXLZHYEL-UHFFFAOYSA-N 1 3 363.521 2.880 50 0 FFAAHO C[C@@H](C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1)[NH+]1CCN(C)CC1 ZINC000077453430 508318292 /nfs/dbraw/zinc/31/82/92/508318292.db2.gz XFTOIVCRMRXTQO-SFHVURJKSA-N 1 3 373.589 2.990 50 0 FFAAHO C[NH+](C)CCCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2O ZINC000215443122 509248631 /nfs/dbraw/zinc/24/86/31/509248631.db2.gz TWFYETLZRGJVQQ-HXUWFJFHSA-N 1 3 362.514 2.523 50 0 FFAAHO C[NH+]1CCC(CN2CCN(Cc3c[nH]nc3-c3cccc(F)c3)CC2)CC1 ZINC000215989294 509256238 /nfs/dbraw/zinc/25/62/38/509256238.db2.gz OPKYVFKMMHEUOK-UHFFFAOYSA-N 1 3 371.504 2.675 50 0 FFAAHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000426492802 513958485 /nfs/dbraw/zinc/95/84/85/513958485.db2.gz LYNHXOXWRHTOTB-HXUWFJFHSA-N 1 3 370.541 2.921 50 0 FFAAHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000426492802 513958487 /nfs/dbraw/zinc/95/84/87/513958487.db2.gz LYNHXOXWRHTOTB-HXUWFJFHSA-N 1 3 370.541 2.921 50 0 FFAAHO COc1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc(OC)c1 ZINC000048782969 570959696 /nfs/dbraw/zinc/95/96/96/570959696.db2.gz VRXCQWBPYHMHOX-UHFFFAOYSA-N 1 3 369.509 2.741 50 0 FFAAHO CC(C)C[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000015075655 220145831 /nfs/dbraw/zinc/14/58/31/220145831.db2.gz SNDUWRQLBKHODE-SFHVURJKSA-N 1 3 358.530 2.530 50 0 FFAAHO Cc1nc(NC[C@H]2Cc3ccccc3CN2C)cc(C2CC[NH2+]CC2)n1 ZINC000067654187 221266526 /nfs/dbraw/zinc/26/65/26/221266526.db2.gz MLCPDNKAEXJBPX-LJQANCHMSA-N 1 3 351.498 2.721 50 0 FFAAHO Cc1cc(N2CCN(C(=O)CN3CC[C@H](c4ccccc4)C3)CC2)cc[nH+]1 ZINC000220537801 132275980 /nfs/dbraw/zinc/27/59/80/132275980.db2.gz XCVNFJIBTSQOAP-FQEVSTJZSA-N 1 3 364.493 2.528 50 0 FFAAHO Cc1c(C[N@@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cnn1C ZINC000012308825 506846940 /nfs/dbraw/zinc/84/69/40/506846940.db2.gz FRHCFWBJLSZJEV-HXUWFJFHSA-N 1 3 353.514 2.858 50 0 FFAAHO Cc1c(C[N@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cnn1C ZINC000012308825 506846948 /nfs/dbraw/zinc/84/69/48/506846948.db2.gz FRHCFWBJLSZJEV-HXUWFJFHSA-N 1 3 353.514 2.858 50 0 FFAAHO CC(C)(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012305154 506847071 /nfs/dbraw/zinc/84/70/71/506847071.db2.gz FTYIRHBFMPVUNC-LJQANCHMSA-N 1 3 372.557 2.920 50 0 FFAAHO CN(Cc1ccccc1)C1(C(=O)NC[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000072131839 507753017 /nfs/dbraw/zinc/75/30/17/507753017.db2.gz CXAAXFPPRBYIMO-NRFANRHFSA-N 1 3 363.505 2.524 50 0 FFAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1cccc(OC)c1)CC[NH+](C)CC2 ZINC000072476965 507795749 /nfs/dbraw/zinc/79/57/49/507795749.db2.gz DJQSNHHZKFYPAK-FQEVSTJZSA-N 1 3 373.541 2.550 50 0 FFAAHO C[C@H](C1CC[NH+](Cc2ccccc2Cn2cccn2)CC1)N1CCOCC1 ZINC000072478901 507796728 /nfs/dbraw/zinc/79/67/28/507796728.db2.gz AEURASMOHLUJOK-LJQANCHMSA-N 1 3 368.525 2.864 50 0 FFAAHO CN1CC[NH+]([C@H]2CCN(Cc3ccc4occc4c3)C[C@H]2CCCO)CC1 ZINC000092037014 508035717 /nfs/dbraw/zinc/03/57/17/508035717.db2.gz MMGIPKSJABWHPC-RTWAWAEBSA-N 1 3 371.525 2.643 50 0 FFAAHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000534673734 517994704 /nfs/dbraw/zinc/99/47/04/517994704.db2.gz VUTSMIXELODJLA-OAHLLOKOSA-N 1 3 352.548 2.552 50 0 FFAAHO O=C(c1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cc1)N1CCCNCC1 ZINC000584886044 518522175 /nfs/dbraw/zinc/52/21/75/518522175.db2.gz IEZSXIUIGYZKDG-UHFFFAOYSA-N 1 3 364.493 2.780 50 0 FFAAHO COCCN1CC[C@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000131540538 728722485 /nfs/dbraw/zinc/72/24/85/728722485.db2.gz QVDZTTOEOWROSQ-OAHLLOKOSA-N 1 3 360.889 2.855 50 0 FFAAHO O[C@H]1CC[N@H+](Cc2ccccc2CNCC2=Cc3ccccc3OC2)C1 ZINC000180993032 970878494 /nfs/dbraw/zinc/87/84/94/970878494.db2.gz XKXHCHWIBQIHAO-NRFANRHFSA-N 1 3 350.462 2.819 50 0 FFAAHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCC2=Cc3ccccc3OC2)C1 ZINC000180993032 970878506 /nfs/dbraw/zinc/87/85/06/970878506.db2.gz XKXHCHWIBQIHAO-NRFANRHFSA-N 1 3 350.462 2.819 50 0 FFAAHO c1sc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1CN1CCCC1 ZINC000827603761 999510739 /nfs/dbraw/zinc/51/07/39/999510739.db2.gz UUSFUMNANJDATO-SFHVURJKSA-N 1 3 363.571 2.888 50 0 FFAAHO c1sc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1CN1CCCC1 ZINC000827603761 999510740 /nfs/dbraw/zinc/51/07/40/999510740.db2.gz UUSFUMNANJDATO-SFHVURJKSA-N 1 3 363.571 2.888 50 0 FFAAHO CCCNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071419477 221347659 /nfs/dbraw/zinc/34/76/59/221347659.db2.gz NZBYOTIEYIEXFM-HXUWFJFHSA-N 1 3 369.553 2.856 50 0 FFAAHO CCC[NH+]1CCC(N2CCN(CCCc3ccccc3)[C@H](CCO)C2)CC1 ZINC000039387788 506450673 /nfs/dbraw/zinc/45/06/73/506450673.db2.gz VNQFJRSHXRQEBM-HSZRJFAPSA-N 1 3 373.585 2.862 50 0 FFAAHO O=C1[C@H](c2ccccc2)CC2(CC[NH+](C3CCNCC3)CC2)CN1C1CC1 ZINC000091526459 507991113 /nfs/dbraw/zinc/99/11/13/507991113.db2.gz QUGMUQRSGLUOTI-NRFANRHFSA-N 1 3 367.537 2.999 50 0 FFAAHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2(c3ccccc3)CCN(C)CC2)C1 ZINC000095353184 508173932 /nfs/dbraw/zinc/17/39/32/508173932.db2.gz OCRHSIGOKZOOCT-IBGZPJMESA-N 1 3 357.542 2.887 50 0 FFAAHO CC(C)[N@H+]1CCC[C@H](C(=O)NCC2(c3ccccc3)CCN(C)CC2)C1 ZINC000095353184 508173935 /nfs/dbraw/zinc/17/39/35/508173935.db2.gz OCRHSIGOKZOOCT-IBGZPJMESA-N 1 3 357.542 2.887 50 0 FFAAHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCN(C)CC2)C1 ZINC000095353185 508174151 /nfs/dbraw/zinc/17/41/51/508174151.db2.gz OCRHSIGOKZOOCT-LJQANCHMSA-N 1 3 357.542 2.887 50 0 FFAAHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCN(C)CC2)C1 ZINC000095353185 508174154 /nfs/dbraw/zinc/17/41/54/508174154.db2.gz OCRHSIGOKZOOCT-LJQANCHMSA-N 1 3 357.542 2.887 50 0 FFAAHO C[NH+](C)CCCOc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2O ZINC000215443175 509248524 /nfs/dbraw/zinc/24/85/24/509248524.db2.gz TWFYETLZRGJVQQ-FQEVSTJZSA-N 1 3 362.514 2.523 50 0 FFAAHO CN1CCN([C@@H]2CC[N@H+](Cc3ccc(C4CCCC4)s3)C[C@H]2O)CC1 ZINC000020911455 727832809 /nfs/dbraw/zinc/83/28/09/727832809.db2.gz MOSOIYSUZOAXJI-RTBURBONSA-N 1 3 363.571 2.588 50 0 FFAAHO CN1CCN([C@@H]2CC[N@@H+](Cc3ccc(C4CCCC4)s3)C[C@H]2O)CC1 ZINC000020911455 727832811 /nfs/dbraw/zinc/83/28/11/727832811.db2.gz MOSOIYSUZOAXJI-RTBURBONSA-N 1 3 363.571 2.588 50 0 FFAAHO O=C(NC1CC1)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020205791 220318751 /nfs/dbraw/zinc/31/87/51/220318751.db2.gz TZNNVBMOFGAZCN-LJQANCHMSA-N 1 3 367.537 2.609 50 0 FFAAHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCCN(Cc2cccs2)CC1 ZINC000058214717 221108709 /nfs/dbraw/zinc/10/87/09/221108709.db2.gz YNMUQXVHTHTDEQ-FQEVSTJZSA-N 1 3 373.566 2.749 50 0 FFAAHO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCCN(Cc2cccs2)CC1 ZINC000058214717 221108713 /nfs/dbraw/zinc/10/87/13/221108713.db2.gz YNMUQXVHTHTDEQ-FQEVSTJZSA-N 1 3 373.566 2.749 50 0 FFAAHO Cc1ccc(CN2CCC(C[NH2+]C3CCN(c4ncccn4)CC3)CC2)o1 ZINC000095526220 132214607 /nfs/dbraw/zinc/21/46/07/132214607.db2.gz LOJICXQUIVEQFJ-UHFFFAOYSA-N 1 3 369.513 2.849 50 0 FFAAHO COc1cccc(-c2cccc(C[N@@H+]3CC[C@@]4(O)CCNC[C@H]4C3)c2)c1 ZINC000091644737 507999537 /nfs/dbraw/zinc/99/95/37/507999537.db2.gz LBHBACZZWHIPMW-UNMCSNQZSA-N 1 3 352.478 2.909 50 0 FFAAHO COc1cccc(-c2cccc(C[N@H+]3CC[C@@]4(O)CCNC[C@H]4C3)c2)c1 ZINC000091644737 507999538 /nfs/dbraw/zinc/99/95/38/507999538.db2.gz LBHBACZZWHIPMW-UNMCSNQZSA-N 1 3 352.478 2.909 50 0 FFAAHO CN(CC(C)(C)CN1CCOCC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020205833 522550434 /nfs/dbraw/zinc/55/04/34/522550434.db2.gz PPEYNQBQDLCFFK-JOCHJYFZSA-N 1 3 373.585 2.984 50 0 FFAAHO CN(CC(C)(C)CN1CCOCC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020205833 522550438 /nfs/dbraw/zinc/55/04/38/522550438.db2.gz PPEYNQBQDLCFFK-JOCHJYFZSA-N 1 3 373.585 2.984 50 0 FFAAHO COc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1OCCN(C)C ZINC000215569623 568077418 /nfs/dbraw/zinc/07/74/18/568077418.db2.gz IZDKFXKKOLFBIF-IBGZPJMESA-N 1 3 361.530 2.696 50 0 FFAAHO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCN2CCCCC2)c1 ZINC000015002315 220139851 /nfs/dbraw/zinc/13/98/51/220139851.db2.gz FTTVNDOWWQXBBX-IBGZPJMESA-N 1 3 359.514 2.652 50 0 FFAAHO CC[NH+]1CCC(N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000019867457 507203136 /nfs/dbraw/zinc/20/31/36/507203136.db2.gz VVYQVRDLKQKOFZ-QFIPXVFZSA-N 1 3 374.548 2.896 50 0 FFAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cccc(F)c1F)CC[NH+](C)CC2 ZINC000072476348 507795811 /nfs/dbraw/zinc/79/58/11/507795811.db2.gz BPFCDQIPBYLRKR-QGZVFWFLSA-N 1 3 365.468 2.777 50 0 FFAAHO COCCCN(C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1)C1CCN(C)CC1 ZINC000095363119 508176806 /nfs/dbraw/zinc/17/68/06/508176806.db2.gz VGOWVOHXSOJNBN-HXUWFJFHSA-N 1 3 373.541 2.727 50 0 FFAAHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc(Cl)c1OC ZINC000095425792 508185295 /nfs/dbraw/zinc/18/52/95/508185295.db2.gz NIJHGJQMWROFFO-DLBZAZTESA-N 1 3 368.905 2.825 50 0 FFAAHO O[C@@H](COc1ccc(CN2CCC(F)CC2)cc1)C[NH+]1CCCCC1 ZINC000095508538 508192918 /nfs/dbraw/zinc/19/29/18/508192918.db2.gz JKOXKIAUGIXKQJ-LJQANCHMSA-N 1 3 350.478 2.846 50 0 FFAAHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)c1cccnc1 ZINC000115675694 508424831 /nfs/dbraw/zinc/42/48/31/508424831.db2.gz GTXBRNMBCVZBBJ-KRWDZBQOSA-N 1 3 373.545 2.733 50 0 FFAAHO Cc1cc(N2CCC[N@H+](C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)ccn1 ZINC000299797899 533893734 /nfs/dbraw/zinc/89/37/34/533893734.db2.gz TXQFKLDTKMKMMT-IBGZPJMESA-N 1 3 364.493 2.955 50 0 FFAAHO Cc1cc(N2CCC[N@@H+](C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)ccn1 ZINC000299797899 533893744 /nfs/dbraw/zinc/89/37/44/533893744.db2.gz TXQFKLDTKMKMMT-IBGZPJMESA-N 1 3 364.493 2.955 50 0 FFAAHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(OC3CCCC3)c1)CC2 ZINC000091536357 527189154 /nfs/dbraw/zinc/18/91/54/527189154.db2.gz ZMFAAMIDNPUWFY-RTWAWAEBSA-N 1 3 374.525 2.699 50 0 FFAAHO CC(C)C[N@@H+]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001529192144 1062216153 /nfs/dbraw/zinc/21/61/53/1062216153.db2.gz OSADRDDAJRLYBS-JOCHJYFZSA-N 1 3 359.558 2.941 50 0 FFAAHO CC(C)C[N@H+]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001529192144 1062216164 /nfs/dbraw/zinc/21/61/64/1062216164.db2.gz OSADRDDAJRLYBS-JOCHJYFZSA-N 1 3 359.558 2.941 50 0 FFAAHO COc1ccc(C[N@H+](C)C(C)C)cc1OC[C@H](O)CN1CCCCC1 ZINC000015072242 220146310 /nfs/dbraw/zinc/14/63/10/220146310.db2.gz PBVKKBSRMJMXIL-GOSISDBHSA-N 1 3 350.503 2.761 50 0 FFAAHO COc1ccc(C[N@@H+](C)C(C)C)cc1OC[C@H](O)CN1CCCCC1 ZINC000015072242 220146314 /nfs/dbraw/zinc/14/63/14/220146314.db2.gz PBVKKBSRMJMXIL-GOSISDBHSA-N 1 3 350.503 2.761 50 0 FFAAHO COc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000048782946 221014576 /nfs/dbraw/zinc/01/45/76/221014576.db2.gz HGXSGPOKTVGFCA-UHFFFAOYSA-N 1 3 369.509 2.741 50 0 FFAAHO Cc1ccc(C2(CN(C)Cc3n[nH]c4c3CCCC4)CC[NH2+]CC2)nc1 ZINC000067559354 221259549 /nfs/dbraw/zinc/25/95/49/221259549.db2.gz VRTGMFVBQSGYPA-UHFFFAOYSA-N 1 3 353.514 2.745 50 0 FFAAHO COc1cc(CN2CCC3(CC2)C[N@H+](C)CCN3C)ccc1OC(C)C ZINC000067974028 221310399 /nfs/dbraw/zinc/31/03/99/221310399.db2.gz JWGVPHFQVCKYGK-UHFFFAOYSA-N 1 3 361.530 2.694 50 0 FFAAHO COc1cc(CN2CCC3(CC2)C[N@@H+](C)CCN3C)ccc1OC(C)C ZINC000067974028 221310402 /nfs/dbraw/zinc/31/04/02/221310402.db2.gz JWGVPHFQVCKYGK-UHFFFAOYSA-N 1 3 361.530 2.694 50 0 FFAAHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000097164606 132228107 /nfs/dbraw/zinc/22/81/07/132228107.db2.gz RDMMKTLSIMWVKD-UHFFFAOYSA-N 1 3 361.534 2.634 50 0 FFAAHO COCCN(C)c1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000252506282 132293051 /nfs/dbraw/zinc/29/30/51/132293051.db2.gz VYIIGRUHFXRHKX-UHFFFAOYSA-N 1 3 369.513 2.565 50 0 FFAAHO CC(C)NC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011662361 506784509 /nfs/dbraw/zinc/78/45/09/506784509.db2.gz VJJDEHSHJLZALZ-HXUWFJFHSA-N 1 3 369.553 2.855 50 0 FFAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CCSCC2)CC1 ZINC000012203552 506835511 /nfs/dbraw/zinc/83/55/11/506835511.db2.gz MRAPKIWZCQUQTM-IBGZPJMESA-N 1 3 367.603 2.975 50 0 FFAAHO CN(C)[C@@H](CNc1nc(C2CC2)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072428071 507789316 /nfs/dbraw/zinc/78/93/16/507789316.db2.gz NHGYVLVHYHKKCN-INIZCTEOSA-N 1 3 357.527 2.819 50 0 FFAAHO CN1CCN(CC2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)CC1 ZINC000072474056 507795051 /nfs/dbraw/zinc/79/50/51/507795051.db2.gz OIXNVWPMVXQXPA-UHFFFAOYSA-N 1 3 373.585 2.850 50 0 FFAAHO O=C1O[C@@H]2C[N@@H+](C34CC5CC(CC(C5)C3)C4)C[C@@H]2N1CCN1CCCCC1 ZINC000020118740 220313907 /nfs/dbraw/zinc/31/39/07/220313907.db2.gz VVDUJWOCJMYLFP-GKHXVQBSSA-N 1 3 373.541 2.946 50 0 FFAAHO O=C1O[C@@H]2C[N@H+](C34CC5CC(CC(C5)C3)C4)C[C@@H]2N1CCN1CCCCC1 ZINC000020118740 220313910 /nfs/dbraw/zinc/31/39/10/220313910.db2.gz VVDUJWOCJMYLFP-GKHXVQBSSA-N 1 3 373.541 2.946 50 0 FFAAHO CC(C)Cc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cc1 ZINC000020994080 220347108 /nfs/dbraw/zinc/34/71/08/220347108.db2.gz KIGNOTOFDGJEOI-QHCPKHFHSA-N 1 3 373.585 2.848 50 0 FFAAHO CC(C)Cc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cc1 ZINC000020994080 220347112 /nfs/dbraw/zinc/34/71/12/220347112.db2.gz KIGNOTOFDGJEOI-QHCPKHFHSA-N 1 3 373.585 2.848 50 0 FFAAHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCCN(C2CC2)CC1 ZINC000058161006 221100199 /nfs/dbraw/zinc/10/01/99/221100199.db2.gz YCLWMEIJCUTVRY-UHFFFAOYSA-N 1 3 358.530 2.908 50 0 FFAAHO CN1C[C@H]2[C@@H](C1)[C@@H](c1ccc(-n3cccn3)cc1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065387205 221208334 /nfs/dbraw/zinc/20/83/34/221208334.db2.gz CVWXNQUJQUEPNP-KAOXLYBCSA-N 1 3 374.488 2.582 50 0 FFAAHO CC(C)[NH+]1CCC(N2CCN(CCCc3ccccc3)C[C@@H]2CCO)CC1 ZINC000019745167 263375487 /nfs/dbraw/zinc/37/54/87/263375487.db2.gz OFYYMUOTCCXAHG-QHCPKHFHSA-N 1 3 373.585 2.861 50 0 FFAAHO Cc1ccc(C)c(OCCCN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072424838 507788293 /nfs/dbraw/zinc/78/82/93/507788293.db2.gz PQDCZTMUVQUMRS-LJQANCHMSA-N 1 3 373.541 2.605 50 0 FFAAHO C[N@@H+](Cc1cc(=O)c2cccc(Cl)c2[nH]1)CC1CCN(CCO)CC1 ZINC000092062181 508038430 /nfs/dbraw/zinc/03/84/30/508038430.db2.gz GLJVCDXJLHWOAP-UHFFFAOYSA-N 1 3 363.889 2.730 50 0 FFAAHO C[N@H+](Cc1cc(=O)c2cccc(Cl)c2[nH]1)CC1CCN(CCO)CC1 ZINC000092062181 508038433 /nfs/dbraw/zinc/03/84/33/508038433.db2.gz GLJVCDXJLHWOAP-UHFFFAOYSA-N 1 3 363.889 2.730 50 0 FFAAHO CCNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020540814 521733751 /nfs/dbraw/zinc/73/37/51/521733751.db2.gz FBORVWPYJWUHBK-UHFFFAOYSA-N 1 3 357.542 2.932 50 0 FFAAHO CCN(Cc1cn(CC)nc1C)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000015064114 220144521 /nfs/dbraw/zinc/14/45/21/220144521.db2.gz XMZANCAKJKSHTI-UHFFFAOYSA-N 1 3 361.578 2.840 50 0 FFAAHO COCC[NH+]1CCC(CN2CCN(c3nccc4ccccc43)CC2)CC1 ZINC000065491488 221225682 /nfs/dbraw/zinc/22/56/82/221225682.db2.gz ZCQWWJINRKNVLL-UHFFFAOYSA-N 1 3 368.525 2.715 50 0 FFAAHO CN(C)CCN(C)C(=O)c1cccc(OC2CC[NH+](C3CCC3)CC2)c1 ZINC000011817507 263368205 /nfs/dbraw/zinc/36/82/05/263368205.db2.gz GIXUSRWALRCGDM-UHFFFAOYSA-N 1 3 359.514 2.716 50 0 FFAAHO CC(C)COc1ccccc1CN(C)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072432648 507790713 /nfs/dbraw/zinc/79/07/13/507790713.db2.gz AFYJXIPRLDMTQQ-LJQANCHMSA-N 1 3 373.541 2.754 50 0 FFAAHO Cc1cc(C)c(CN2CC[NH+](CC3CC3)CC2)cc1CN1CCN(C)CC1 ZINC000216114484 509258124 /nfs/dbraw/zinc/25/81/24/509258124.db2.gz ACCGBAJVHLZSRB-UHFFFAOYSA-N 1 3 370.585 2.578 50 0 FFAAHO CN1CCN(CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000253370720 509873517 /nfs/dbraw/zinc/87/35/17/509873517.db2.gz VEJWDYSFSQTDRY-NUNAXRQHSA-N 1 3 370.585 2.799 50 0 FFAAHO COc1cc(CN2CCCC[C@@H]2C[NH3+])ccc1OCCN1CCCCC1 ZINC000216354963 522373163 /nfs/dbraw/zinc/37/31/63/522373163.db2.gz QEWIGXGUYMBLPZ-LJQANCHMSA-N 1 3 361.530 2.873 50 0 FFAAHO COC[C@H]1CN(Cc2ccc(Br)s2)CC12CC[NH2+]CC2 ZINC000169783974 728982858 /nfs/dbraw/zinc/98/28/58/728982858.db2.gz HLJNXIWMIPYVFZ-GFCCVEGCSA-N 1 3 359.333 2.959 50 0 FFAAHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCC2=Cc3ccccc3OC2)C1 ZINC000180993051 991584916 /nfs/dbraw/zinc/58/49/16/991584916.db2.gz XKXHCHWIBQIHAO-OAQYLSRUSA-N 1 3 350.462 2.819 50 0 FFAAHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCC2=Cc3ccccc3OC2)C1 ZINC000180993051 991584926 /nfs/dbraw/zinc/58/49/26/991584926.db2.gz XKXHCHWIBQIHAO-OAQYLSRUSA-N 1 3 350.462 2.819 50 0 FFAAHO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCN(c2ccncc2)CC1 ZINC000095356643 132207441 /nfs/dbraw/zinc/20/74/41/132207441.db2.gz XOKAPMFEWBRULT-IBGZPJMESA-N 1 3 350.466 2.511 50 0 FFAAHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccco3)C2)CC1 ZINC000095366533 132208348 /nfs/dbraw/zinc/20/83/48/132208348.db2.gz BUTVKQGZIPBHQJ-SFHVURJKSA-N 1 3 368.481 2.544 50 0 FFAAHO Cc1ccc([C@@H](C[NH2+]C2CCN(c3cc(C)nc(N)n3)CC2)N(C)C)cc1 ZINC000095379654 132209589 /nfs/dbraw/zinc/20/95/89/132209589.db2.gz OPBIJFRGRMADHR-LJQANCHMSA-N 1 3 368.529 2.537 50 0 FFAAHO CN(C)Cc1csc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C)c1 ZINC000091493417 507989966 /nfs/dbraw/zinc/98/99/66/507989966.db2.gz DTBDSINJEWPYFX-UHFFFAOYSA-N 1 3 359.543 2.512 50 0 FFAAHO COC[C@]1(O)CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1(C)C ZINC000091876658 508021110 /nfs/dbraw/zinc/02/11/10/508021110.db2.gz UORFQWZQWIFJGJ-LJQANCHMSA-N 1 3 352.544 2.953 50 0 FFAAHO O[C@@H](COc1ccccc1CN1CCC(F)CC1)C[NH+]1CCCCC1 ZINC000095523418 508194544 /nfs/dbraw/zinc/19/45/44/508194544.db2.gz DGBMAVOQJQEPQI-LJQANCHMSA-N 1 3 350.478 2.846 50 0 FFAAHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)cc2)CC1 ZINC000095939772 508198505 /nfs/dbraw/zinc/19/85/05/508198505.db2.gz GFPNKGOUCMXRIX-NRFANRHFSA-N 1 3 370.541 2.637 50 0 FFAAHO Cc1c[nH+]ccc1NCCNC(=O)C1(c2ccccc2)CCN(C)CC1 ZINC000219311777 509287164 /nfs/dbraw/zinc/28/71/64/509287164.db2.gz AUBDQFYRNDIGPI-UHFFFAOYSA-N 1 3 352.482 2.582 50 0 FFAAHO