smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1CCN(c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164865724 721113596 /nfs/dbraw/zinc/11/35/96/721113596.db2.gz OVMRUPYADWKQLL-VQTJNVASSA-N 1 3 409.538 1.279 20 0 HDADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164881151 721172649 /nfs/dbraw/zinc/17/26/49/721172649.db2.gz ZHFRQDOXYNOHPX-RTWAWAEBSA-N 1 3 424.549 1.730 20 0 HDADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164783608 721453388 /nfs/dbraw/zinc/45/33/88/721453388.db2.gz CKCLEXUFKLDPBE-FQEVSTJZSA-N 1 3 415.582 1.856 20 0 HDADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164783608 721453392 /nfs/dbraw/zinc/45/33/92/721453392.db2.gz CKCLEXUFKLDPBE-FQEVSTJZSA-N 1 3 415.582 1.856 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164904680 721544318 /nfs/dbraw/zinc/54/43/18/721544318.db2.gz FZFJUAFDAJMPOQ-AZUAARDMSA-N 1 3 412.513 1.885 20 0 HDADHO CN(C(=O)CCN1CCN(c2ccccn2)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670113 1073624759 /nfs/dbraw/zinc/62/47/59/1073624759.db2.gz QWASFTGMSUWCPD-NRFANRHFSA-N 1 3 414.598 1.221 20 0 HDADHO CN(C(=O)CCN1CCN(c2ccccn2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670113 1073624763 /nfs/dbraw/zinc/62/47/63/1073624763.db2.gz QWASFTGMSUWCPD-NRFANRHFSA-N 1 3 414.598 1.221 20 0 HDADHO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000673672473 1073626908 /nfs/dbraw/zinc/62/69/08/1073626908.db2.gz ICOQYMUFYQWJDW-FCHUYYIVSA-N 1 3 400.567 1.564 20 0 HDADHO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000673672473 1073626912 /nfs/dbraw/zinc/62/69/12/1073626912.db2.gz ICOQYMUFYQWJDW-FCHUYYIVSA-N 1 3 400.567 1.564 20 0 HDADHO O=C(NCC1(CN2CCOCC2)CCCCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000674404446 1074315775 /nfs/dbraw/zinc/31/57/75/1074315775.db2.gz PGXRURSFFKGGEV-VQTJNVASSA-N 1 3 408.587 1.510 20 0 HDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000477030895 1074729333 /nfs/dbraw/zinc/72/93/33/1074729333.db2.gz GGSNLEPYBQCQGB-JEYLPNPQSA-N 1 3 406.493 1.754 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000509328043 1075109278 /nfs/dbraw/zinc/10/92/78/1075109278.db2.gz OGUMUAMLQQZSLS-UHFFFAOYSA-N 1 3 415.582 1.630 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000509328043 1075109282 /nfs/dbraw/zinc/10/92/82/1075109282.db2.gz OGUMUAMLQQZSLS-UHFFFAOYSA-N 1 3 415.582 1.630 20 0 HDADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)o1 ZINC000427257305 1075276471 /nfs/dbraw/zinc/27/64/71/1075276471.db2.gz OGRJGFKVKWDPQN-UHFFFAOYSA-N 1 3 416.526 1.580 20 0 HDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676344752 1075518373 /nfs/dbraw/zinc/51/83/73/1075518373.db2.gz SHOTWGNDXWKEIN-QFIPXVFZSA-N 1 3 400.567 1.958 20 0 HDADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000676394337 1075541838 /nfs/dbraw/zinc/54/18/38/1075541838.db2.gz ZMYWCEIWOOSAAV-JOCHJYFZSA-N 1 3 400.567 1.877 20 0 HDADHO Cc1cn(C)c(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000495127393 1076005882 /nfs/dbraw/zinc/00/58/82/1076005882.db2.gz JCAVXVRMMLHNHH-SJORKVTESA-N 1 3 413.566 1.195 20 0 HDADHO Cc1cn(C)c(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000495127393 1076005885 /nfs/dbraw/zinc/00/58/85/1076005885.db2.gz JCAVXVRMMLHNHH-SJORKVTESA-N 1 3 413.566 1.195 20 0 HDADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2)CC1 ZINC000730918055 1076691565 /nfs/dbraw/zinc/69/15/65/1076691565.db2.gz CEVWAIDIUHAGLL-OAQYLSRUSA-N 1 3 413.566 1.854 20 0 HDADHO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2)CC1 ZINC000730918055 1076691570 /nfs/dbraw/zinc/69/15/70/1076691570.db2.gz CEVWAIDIUHAGLL-OAQYLSRUSA-N 1 3 413.566 1.854 20 0 HDADHO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)cc(N(C)C)[nH+]1 ZINC001164826418 720434108 /nfs/dbraw/zinc/43/41/08/720434108.db2.gz WFXQAINTZRVMGH-QGZVFWFLSA-N 1 3 415.542 1.037 20 0 HDADHO C[NH+]1CCC(Oc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749293 720801121 /nfs/dbraw/zinc/80/11/21/720801121.db2.gz TVHHVZBLXFHARB-PXNSSMCTSA-N 1 3 410.522 1.687 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164865725 721114140 /nfs/dbraw/zinc/11/41/40/721114140.db2.gz OVMRUPYADWKQLL-WOJBJXKFSA-N 1 3 409.538 1.279 20 0 HDADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762834 721228364 /nfs/dbraw/zinc/22/83/64/721228364.db2.gz LLCATDZFSUATQK-PMACEKPBSA-N 1 3 411.554 1.547 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCN(CC(F)(F)F)CC3)CC2)CC1 ZINC000215983063 1073711395 /nfs/dbraw/zinc/71/13/95/1073711395.db2.gz RIZRVVAEROASAF-UHFFFAOYSA-N 1 3 405.509 1.825 20 0 HDADHO CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCSC1 ZINC000674040840 1074122673 /nfs/dbraw/zinc/12/26/73/1074122673.db2.gz XMDDMHVYNWKSDR-HXUWFJFHSA-N 1 3 408.568 1.509 20 0 HDADHO COC1CCN(CCNc2ncc(C)c(NCC[NH+]3CCC(OC)CC3)n2)CC1 ZINC000674747437 1074546223 /nfs/dbraw/zinc/54/62/23/1074546223.db2.gz FVLVVDOROGKCGN-UHFFFAOYSA-N 1 3 406.575 1.830 20 0 HDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093031 1075353154 /nfs/dbraw/zinc/35/31/54/1075353154.db2.gz CNNQBEICHFFQDE-UHFFFAOYSA-N 1 3 404.490 1.113 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000509265288 1075756677 /nfs/dbraw/zinc/75/66/77/1075756677.db2.gz UZQXLNXEDYTCHW-UHFFFAOYSA-N 1 3 415.582 1.978 20 0 HDADHO COc1cc(C[NH2+]C[C@](C)(O)CN(C)C)cc(I)c1OC ZINC000611039464 1075819013 /nfs/dbraw/zinc/81/90/13/1075819013.db2.gz XHYJPWYLCZYACN-HNNXBMFYSA-N 1 3 408.280 1.711 20 0 HDADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000495385927 1076008926 /nfs/dbraw/zinc/00/89/26/1076008926.db2.gz QKZHWHYHKYFSGX-AEFFLSMTSA-N 1 3 407.559 1.951 20 0 HDADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000733890352 1076251898 /nfs/dbraw/zinc/25/18/98/1076251898.db2.gz CGCSSFPCQJBTKV-SFHVURJKSA-N 1 3 402.539 1.186 20 0 HDADHO CC(C)[N@@H+]1CCCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000727824566 1076268083 /nfs/dbraw/zinc/26/80/83/1076268083.db2.gz XQRIIOXZUWCTMD-QHCPKHFHSA-N 1 3 413.566 1.947 20 0 HDADHO CC(C)[N@H+]1CCCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000727824566 1076268086 /nfs/dbraw/zinc/26/80/86/1076268086.db2.gz XQRIIOXZUWCTMD-QHCPKHFHSA-N 1 3 413.566 1.947 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 ZINC000730216074 1076479158 /nfs/dbraw/zinc/47/91/58/1076479158.db2.gz MPIDCMJNXUWPQI-INIZCTEOSA-N 1 3 402.514 1.853 20 0 HDADHO C[NH+]1CCC(Oc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749296 720800641 /nfs/dbraw/zinc/80/06/41/720800641.db2.gz TVHHVZBLXFHARB-YLJYHZDGSA-N 1 3 410.522 1.687 20 0 HDADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164881148 721172723 /nfs/dbraw/zinc/17/27/23/721172723.db2.gz ZHFRQDOXYNOHPX-LEWJYISDSA-N 1 3 424.549 1.730 20 0 HDADHO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000673672474 1073626929 /nfs/dbraw/zinc/62/69/29/1073626929.db2.gz ICOQYMUFYQWJDW-FGZHOGPDSA-N 1 3 400.567 1.564 20 0 HDADHO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000673672474 1073626932 /nfs/dbraw/zinc/62/69/32/1073626932.db2.gz ICOQYMUFYQWJDW-FGZHOGPDSA-N 1 3 400.567 1.564 20 0 HDADHO Cc1cccc(N2CCN(CCC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)c1 ZINC000673673715 1073630145 /nfs/dbraw/zinc/63/01/45/1073630145.db2.gz UVBRAPOLMAOWMN-QHCPKHFHSA-N 1 3 413.610 1.746 20 0 HDADHO Cc1cccc(N2CCN(CCC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)c1 ZINC000673673715 1073630148 /nfs/dbraw/zinc/63/01/48/1073630148.db2.gz UVBRAPOLMAOWMN-QHCPKHFHSA-N 1 3 413.610 1.746 20 0 HDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000439214276 1075228314 /nfs/dbraw/zinc/22/83/14/1075228314.db2.gz XEXBCWQZTGQOJS-LJQANCHMSA-N 1 3 412.538 1.685 20 0 HDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000439214276 1075228320 /nfs/dbraw/zinc/22/83/20/1075228320.db2.gz XEXBCWQZTGQOJS-LJQANCHMSA-N 1 3 412.538 1.685 20 0 HDADHO CS(=O)(=O)N1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000675753491 1075264303 /nfs/dbraw/zinc/26/43/03/1075264303.db2.gz ZDWICYZNSXKPIH-UHFFFAOYSA-N 1 3 408.612 1.598 20 0 HDADHO C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H](c1ccccc1)N(C)C ZINC000427236145 1075583670 /nfs/dbraw/zinc/58/36/70/1075583670.db2.gz DQIXYTSDADKPHY-OXQOHEQNSA-N 1 3 412.538 1.896 20 0 HDADHO COc1cc(C[NH2+]C[C@@](C)(O)CN(C)C)cc(I)c1OC ZINC000611039465 1075819078 /nfs/dbraw/zinc/81/90/78/1075819078.db2.gz XHYJPWYLCZYACN-OAHLLOKOSA-N 1 3 408.280 1.711 20 0 HDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000495396499 1076013293 /nfs/dbraw/zinc/01/32/93/1076013293.db2.gz PNXGZLUDBRXWBX-HXUWFJFHSA-N 1 3 419.570 1.540 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)CCC(=O)N3CCOc4ccccc43)CC2)CC1 ZINC000730281607 1076512442 /nfs/dbraw/zinc/51/24/42/1076512442.db2.gz OFQACLDBNUIASN-UHFFFAOYSA-N 1 3 414.550 1.867 20 0 HDADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164880280 721148711 /nfs/dbraw/zinc/14/87/11/721148711.db2.gz VQMOHOPTEHQVKD-UYAOXDASSA-N 1 3 410.522 1.482 20 0 HDADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164762852 721229743 /nfs/dbraw/zinc/22/97/43/721229743.db2.gz LLCATDZFSUATQK-WOJBJXKFSA-N 1 3 411.554 1.547 20 0 HDADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894412 721427282 /nfs/dbraw/zinc/42/72/82/721427282.db2.gz MKFQOSTUDJOQLS-FYYLOGMGSA-N 1 3 414.598 1.257 20 0 HDADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933281 721877624 /nfs/dbraw/zinc/87/76/24/721877624.db2.gz LJRULBRWNUTBAY-ZWKOTPCHSA-N 1 3 400.575 1.287 20 0 HDADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933281 721877626 /nfs/dbraw/zinc/87/76/26/721877626.db2.gz LJRULBRWNUTBAY-ZWKOTPCHSA-N 1 3 400.575 1.287 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCN(C4CCCCC4)C3=O)CC2)CC1 ZINC000675814574 1075275752 /nfs/dbraw/zinc/27/57/52/1075275752.db2.gz BCRMNISTMWTMPI-FQEVSTJZSA-N 1 3 405.587 1.778 20 0 HDADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000675887411 1075289504 /nfs/dbraw/zinc/28/95/04/1075289504.db2.gz IDDLKCRFIGDOQS-HXUWFJFHSA-N 1 3 417.554 1.787 20 0 HDADHO CCOC(=O)COc1ccc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000611211211 1075874747 /nfs/dbraw/zinc/87/47/47/1075874747.db2.gz UDRWKOYTMMDVGQ-SIKLNZKXSA-N 1 3 419.566 1.965 20 0 HDADHO CCOC(=O)COc1ccc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000611211211 1075874752 /nfs/dbraw/zinc/87/47/52/1075874752.db2.gz UDRWKOYTMMDVGQ-SIKLNZKXSA-N 1 3 419.566 1.965 20 0 HDADHO Cc1cn(C)c(CC(=O)NCC[NH+]2CCCCC2)c1C(=O)NCCN1CCCCC1 ZINC000494271567 1075999405 /nfs/dbraw/zinc/99/94/05/1075999405.db2.gz RBWJUZHBOWMBQE-UHFFFAOYSA-N 1 3 417.598 1.694 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000730124547 1076465261 /nfs/dbraw/zinc/46/52/61/1076465261.db2.gz BFUPSKIIZCYNBE-KRWDZBQOSA-N 1 3 409.575 1.854 20 0 HDADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000730921395 1076693786 /nfs/dbraw/zinc/69/37/86/1076693786.db2.gz SLGURBUUFXWIAY-OAQYLSRUSA-N 1 3 413.566 1.854 20 0 HDADHO CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164683014 719710226 /nfs/dbraw/zinc/71/02/26/719710226.db2.gz HUVBXGHYAYGTQC-UHFFFAOYSA-N 1 3 406.962 1.778 20 0 HDADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164785761 721463119 /nfs/dbraw/zinc/46/31/19/721463119.db2.gz NIGCNFRWCGHRAM-HXUWFJFHSA-N 1 3 415.582 1.856 20 0 HDADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164785761 721463121 /nfs/dbraw/zinc/46/31/21/721463121.db2.gz NIGCNFRWCGHRAM-HXUWFJFHSA-N 1 3 415.582 1.856 20 0 HDADHO CN1CCN(c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164980528 722129244 /nfs/dbraw/zinc/12/92/44/722129244.db2.gz RRCOPFNWPJSVFY-VXKWHMMOSA-N 1 3 422.577 1.956 20 0 HDADHO CN1CCN(c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164980528 722129246 /nfs/dbraw/zinc/12/92/46/722129246.db2.gz RRCOPFNWPJSVFY-VXKWHMMOSA-N 1 3 422.577 1.956 20 0 HDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000477056935 1074762886 /nfs/dbraw/zinc/76/28/86/1074762886.db2.gz MOZSKIXBKLGZEE-SFHVURJKSA-N 1 3 403.571 1.393 20 0 HDADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000804242262 1075798765 /nfs/dbraw/zinc/79/87/65/1075798765.db2.gz DAFGYULIIOWZOE-UHFFFAOYSA-N 1 3 402.583 1.856 20 0 HDADHO Cc1nc(N(C)C)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164711938 720170318 /nfs/dbraw/zinc/17/03/18/720170318.db2.gz DUZMLTUJVSMKSQ-QGZVFWFLSA-N 1 3 400.531 1.196 20 0 HDADHO O=C(c1nn(-c2nc(Cl)ccc2CN2CCCC2)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164815104 720247879 /nfs/dbraw/zinc/24/78/79/720247879.db2.gz AIPULWIMTUQTPB-UHFFFAOYSA-N 1 3 416.913 1.592 20 0 HDADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164783614 721453166 /nfs/dbraw/zinc/45/31/66/721453166.db2.gz CKCLEXUFKLDPBE-HXUWFJFHSA-N 1 3 415.582 1.856 20 0 HDADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164783614 721453168 /nfs/dbraw/zinc/45/31/68/721453168.db2.gz CKCLEXUFKLDPBE-HXUWFJFHSA-N 1 3 415.582 1.856 20 0 HDADHO c1cncc(CN2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3C2)c1 ZINC001164976021 722133425 /nfs/dbraw/zinc/13/34/25/722133425.db2.gz GKTXNGYALYDKGI-IFMALSPDSA-N 1 3 408.550 1.614 20 0 HDADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000673775320 1073708337 /nfs/dbraw/zinc/70/83/37/1073708337.db2.gz BILLPMLCTFOEBQ-FPOVZHCZSA-N 1 3 415.582 1.880 20 0 HDADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000673775320 1073708344 /nfs/dbraw/zinc/70/83/44/1073708344.db2.gz BILLPMLCTFOEBQ-FPOVZHCZSA-N 1 3 415.582 1.880 20 0 HDADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000673775321 1073708632 /nfs/dbraw/zinc/70/86/32/1073708632.db2.gz BILLPMLCTFOEBQ-PZJWPPBQSA-N 1 3 415.582 1.880 20 0 HDADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000673775321 1073708637 /nfs/dbraw/zinc/70/86/37/1073708637.db2.gz BILLPMLCTFOEBQ-PZJWPPBQSA-N 1 3 415.582 1.880 20 0 HDADHO COC(=O)CCCc1nnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000444862844 1074706493 /nfs/dbraw/zinc/70/64/93/1074706493.db2.gz WNLUHLOMVITHEO-UHFFFAOYSA-N 1 3 424.571 1.714 20 0 HDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477101283 1074799415 /nfs/dbraw/zinc/79/94/15/1074799415.db2.gz QDIKEFYTWKXXCL-IPMKNSEASA-N 1 3 410.603 1.571 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000509346049 1075181922 /nfs/dbraw/zinc/18/19/22/1075181922.db2.gz UYWJYKJEZZKSHN-PMACEKPBSA-N 1 3 409.619 1.940 20 0 HDADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676094267 1075356567 /nfs/dbraw/zinc/35/65/67/1075356567.db2.gz HCZQUMQASNPVFN-UHFFFAOYSA-N 1 3 400.527 1.282 20 0 HDADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N(C)Cc1ccccc1 ZINC000426928746 1075572669 /nfs/dbraw/zinc/57/26/69/1075572669.db2.gz KHKYFOJUMISGMY-KRWDZBQOSA-N 1 3 412.538 1.725 20 0 HDADHO CC(C)(CO)[NH+]1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000676702296 1075652162 /nfs/dbraw/zinc/65/21/62/1075652162.db2.gz UMJUDHBVYUHLBP-FQEVSTJZSA-N 1 3 423.001 1.982 20 0 HDADHO CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000611181016 1075868583 /nfs/dbraw/zinc/86/85/83/1075868583.db2.gz AQNYRVAEZCNRCR-IBGZPJMESA-N 1 3 408.587 1.279 20 0 HDADHO CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C)[C@@H](C(C)C)C3)n2)CC[N@@H+]1C ZINC000489367046 1075882716 /nfs/dbraw/zinc/88/27/16/1075882716.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 1 3 415.582 1.906 20 0 HDADHO CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C)[C@@H](C(C)C)C3)n2)CC[N@H+]1C ZINC000489367046 1075882719 /nfs/dbraw/zinc/88/27/19/1075882719.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 1 3 415.582 1.906 20 0 HDADHO CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)n2)CCN1C ZINC000489367046 1075882724 /nfs/dbraw/zinc/88/27/24/1075882724.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 1 3 415.582 1.906 20 0 HDADHO CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)n2)CCN1C ZINC000489367046 1075882729 /nfs/dbraw/zinc/88/27/29/1075882729.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 1 3 415.582 1.906 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000727153293 1076053771 /nfs/dbraw/zinc/05/37/71/1076053771.db2.gz JZIVWSHIGKUXEQ-QGZVFWFLSA-N 1 3 412.600 1.971 20 0 HDADHO CNC(=O)CN1CCCC12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164690279 719756073 /nfs/dbraw/zinc/75/60/73/719756073.db2.gz YEAVRKLKQFGRSG-UHFFFAOYSA-N 1 3 401.555 1.641 20 0 HDADHO c1cc(OCC[NH+]2CCCC2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743366 720743041 /nfs/dbraw/zinc/74/30/41/720743041.db2.gz PSNMOTOTQVKTSO-RTBURBONSA-N 1 3 410.522 1.688 20 0 HDADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164880274 721149194 /nfs/dbraw/zinc/14/91/94/721149194.db2.gz VQMOHOPTEHQVKD-ICSRJNTNSA-N 1 3 410.522 1.482 20 0 HDADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164881149 721173547 /nfs/dbraw/zinc/17/35/47/721173547.db2.gz ZHFRQDOXYNOHPX-NHCUHLMSSA-N 1 3 424.549 1.730 20 0 HDADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762841 721229881 /nfs/dbraw/zinc/22/98/81/721229881.db2.gz LLCATDZFSUATQK-UXHICEINSA-N 1 3 411.554 1.547 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978052 722130337 /nfs/dbraw/zinc/13/03/37/722130337.db2.gz JKLVGYDNZKTHPH-CTNGQTDRSA-N 1 3 423.565 1.526 20 0 HDADHO COc1cccc(COC[C@@H](O)C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000543522510 1073979877 /nfs/dbraw/zinc/97/98/77/1073979877.db2.gz MJXSRMNDBZCLTM-NRFANRHFSA-N 1 3 405.583 1.922 20 0 HDADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000674882514 1074601163 /nfs/dbraw/zinc/60/11/63/1074601163.db2.gz OSUZSLJOWSGITC-HSZRJFAPSA-N 1 3 415.626 1.715 20 0 HDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000477103203 1074801175 /nfs/dbraw/zinc/80/11/75/1074801175.db2.gz UYDWTBRPZBTUDH-AZUAARDMSA-N 1 3 404.555 1.240 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)CC1 ZINC000675557526 1075202320 /nfs/dbraw/zinc/20/23/20/1075202320.db2.gz OWHAVKYYHBEQPO-LJQANCHMSA-N 1 3 405.587 1.635 20 0 HDADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000675887410 1075289566 /nfs/dbraw/zinc/28/95/66/1075289566.db2.gz IDDLKCRFIGDOQS-FQEVSTJZSA-N 1 3 417.554 1.787 20 0 HDADHO CC[C@H](C)n1nc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1C ZINC000439218684 1075488654 /nfs/dbraw/zinc/48/86/54/1075488654.db2.gz WQEWJTHIGDYACV-WMZOPIPTSA-N 1 3 406.575 1.976 20 0 HDADHO CC[C@H](C)n1nc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1C ZINC000439218684 1075488661 /nfs/dbraw/zinc/48/86/61/1075488661.db2.gz WQEWJTHIGDYACV-WMZOPIPTSA-N 1 3 406.575 1.976 20 0 HDADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000676394339 1075541893 /nfs/dbraw/zinc/54/18/93/1075541893.db2.gz ZMYWCEIWOOSAAV-QFIPXVFZSA-N 1 3 400.567 1.877 20 0 HDADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676719503 1075655011 /nfs/dbraw/zinc/65/50/11/1075655011.db2.gz HECUVPFJUQDYRR-FQEVSTJZSA-N 1 3 400.567 1.956 20 0 HDADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000676719503 1075655015 /nfs/dbraw/zinc/65/50/15/1075655015.db2.gz HECUVPFJUQDYRR-FQEVSTJZSA-N 1 3 400.567 1.956 20 0 HDADHO CC(C)C(=O)Nc1nc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000050797852 1075802785 /nfs/dbraw/zinc/80/27/85/1075802785.db2.gz QYWQVEHPMWLAPA-UHFFFAOYSA-N 1 3 407.584 1.955 20 0 HDADHO CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000611181021 1075868503 /nfs/dbraw/zinc/86/85/03/1075868503.db2.gz AQNYRVAEZCNRCR-LJQANCHMSA-N 1 3 408.587 1.279 20 0 HDADHO CC(C)[NH+]1CCN(C2CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)CC1 ZINC000611180902 1075868631 /nfs/dbraw/zinc/86/86/31/1075868631.db2.gz FQFFGCKZYOQHCH-AWEZNQCLSA-N 1 3 407.481 1.253 20 0 HDADHO NC(=O)COc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000731040777 1076716910 /nfs/dbraw/zinc/71/69/10/1076716910.db2.gz AKVXIVQHSFVRBW-HXUWFJFHSA-N 1 3 410.518 1.538 20 0 HDADHO NC(=O)COc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000731040777 1076716914 /nfs/dbraw/zinc/71/69/14/1076716914.db2.gz AKVXIVQHSFVRBW-HXUWFJFHSA-N 1 3 410.518 1.538 20 0 HDADHO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933278 721877579 /nfs/dbraw/zinc/87/75/79/721877579.db2.gz LJRULBRWNUTBAY-MSOLQXFVSA-N 1 3 400.575 1.287 20 0 HDADHO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933278 721877580 /nfs/dbraw/zinc/87/75/80/721877580.db2.gz LJRULBRWNUTBAY-MSOLQXFVSA-N 1 3 400.575 1.287 20 0 HDADHO C[NH+](C)CCn1cc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000673871218 1073836664 /nfs/dbraw/zinc/83/66/64/1073836664.db2.gz ZMESWGQMDIFIOO-UHFFFAOYSA-N 1 3 413.570 1.774 20 0 HDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(CN4CCOCC4)CCCCC3)C2)CC1 ZINC000674390637 1074305196 /nfs/dbraw/zinc/30/51/96/1074305196.db2.gz IZTQKPOKSMWKQN-FQEVSTJZSA-N 1 3 421.630 1.737 20 0 HDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCC3(CN4CCOCC4)CCCCC3)C2)CC1 ZINC000674390637 1074305206 /nfs/dbraw/zinc/30/52/06/1074305206.db2.gz IZTQKPOKSMWKQN-FQEVSTJZSA-N 1 3 421.630 1.737 20 0 HDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NCC3(CN4CCOCC4)CCCCC3)C2)CC1 ZINC000674390637 1074305213 /nfs/dbraw/zinc/30/52/13/1074305213.db2.gz IZTQKPOKSMWKQN-FQEVSTJZSA-N 1 3 421.630 1.737 20 0 HDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000477103209 1074801151 /nfs/dbraw/zinc/80/11/51/1074801151.db2.gz UYDWTBRPZBTUDH-UYAOXDASSA-N 1 3 404.555 1.240 20 0 HDADHO Cc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474382 1075361045 /nfs/dbraw/zinc/36/10/45/1075361045.db2.gz PJGWMWAFEQXDRI-ZWKOTPCHSA-N 1 3 410.522 1.157 20 0 HDADHO Cc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731474382 1075361051 /nfs/dbraw/zinc/36/10/51/1075361051.db2.gz PJGWMWAFEQXDRI-ZWKOTPCHSA-N 1 3 410.522 1.157 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000509392471 1075460619 /nfs/dbraw/zinc/46/06/19/1075460619.db2.gz JHJNDQAKMZIKSR-HXUWFJFHSA-N 1 3 403.571 1.355 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000509434740 1075678561 /nfs/dbraw/zinc/67/85/61/1075678561.db2.gz ZBKYBHXTORCWMR-HXUWFJFHSA-N 1 3 403.571 1.793 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000732252937 1075680550 /nfs/dbraw/zinc/68/05/50/1075680550.db2.gz KRRQBINTOCXFQV-QGZVFWFLSA-N 1 3 409.575 1.854 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](N4CCCCC4=O)C3)CC2)CC1 ZINC000732824034 1075880075 /nfs/dbraw/zinc/88/00/75/1075880075.db2.gz GCUBJGRSBHOERR-HXUWFJFHSA-N 1 3 405.587 1.732 20 0 HDADHO C[N@H+](CCCO)C1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000536209202 1076256317 /nfs/dbraw/zinc/25/63/17/1076256317.db2.gz RLILFKFHJIEMSZ-UHFFFAOYSA-N 1 3 402.583 1.894 20 0 HDADHO C[N@@H+](CCCO)C1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000536209202 1076256322 /nfs/dbraw/zinc/25/63/22/1076256322.db2.gz RLILFKFHJIEMSZ-UHFFFAOYSA-N 1 3 402.583 1.894 20 0 HDADHO c1cncc(CN2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164977261 722105748 /nfs/dbraw/zinc/10/57/48/722105748.db2.gz FLUQSCKJUNPYKE-VQTJNVASSA-N 1 3 409.538 1.009 20 0 HDADHO CN1CCN(c2ncnc3c2CCN(c2cccc(N4CCC([NH3+])CC4)n2)CC3)CC1 ZINC001165001585 722236739 /nfs/dbraw/zinc/23/67/39/722236739.db2.gz JLXBRVLGIVRBLT-UHFFFAOYSA-N 1 3 422.581 1.156 20 0 HDADHO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000673672476 1073626696 /nfs/dbraw/zinc/62/66/96/1073626696.db2.gz ICOQYMUFYQWJDW-YADHBBJMSA-N 1 3 400.567 1.564 20 0 HDADHO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000673672476 1073626703 /nfs/dbraw/zinc/62/67/03/1073626703.db2.gz ICOQYMUFYQWJDW-YADHBBJMSA-N 1 3 400.567 1.564 20 0 HDADHO COC(=O)c1cccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000509209711 1074123130 /nfs/dbraw/zinc/12/31/30/1074123130.db2.gz HWAKBPRFSBPEOL-UHFFFAOYSA-N 1 3 402.539 1.874 20 0 HDADHO COC1CCN(CCNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000674328962 1074277955 /nfs/dbraw/zinc/27/79/55/1074277955.db2.gz VPVVHVLYWRXHQQ-UHFFFAOYSA-N 1 3 404.555 1.553 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000509346050 1075181908 /nfs/dbraw/zinc/18/19/08/1075181908.db2.gz UYWJYKJEZZKSHN-WOJBJXKFSA-N 1 3 409.619 1.940 20 0 HDADHO Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474380 1075361265 /nfs/dbraw/zinc/36/12/65/1075361265.db2.gz PJGWMWAFEQXDRI-QZTJIDSGSA-N 1 3 410.522 1.157 20 0 HDADHO Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731474380 1075361268 /nfs/dbraw/zinc/36/12/68/1075361268.db2.gz PJGWMWAFEQXDRI-QZTJIDSGSA-N 1 3 410.522 1.157 20 0 HDADHO CC(C)[NH+]1CCN(C2CCN([C@@H](C)C(=O)NC(=O)NCc3ccccc3)CC2)CC1 ZINC000611181241 1075867836 /nfs/dbraw/zinc/86/78/36/1075867836.db2.gz WOQNWCWEBIEAGM-IBGZPJMESA-N 1 3 415.582 1.891 20 0 HDADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC000495344351 1076006673 /nfs/dbraw/zinc/00/66/73/1076006673.db2.gz WQECOBHVUDJMBW-IBGZPJMESA-N 1 3 407.534 1.670 20 0 HDADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748704 720804181 /nfs/dbraw/zinc/80/41/81/720804181.db2.gz RBICSKRDDCPXTR-QUCCMNQESA-N 1 3 410.522 1.592 20 0 HDADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894413 721426850 /nfs/dbraw/zinc/42/68/50/721426850.db2.gz MKFQOSTUDJOQLS-GGAORHGYSA-N 1 3 414.598 1.257 20 0 HDADHO c1cc(CN2CCOCC3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2)ccn1 ZINC001164961936 722051711 /nfs/dbraw/zinc/05/17/11/722051711.db2.gz ZFKJVOSLWJQYTM-UHFFFAOYSA-N 1 3 408.550 1.679 20 0 HDADHO CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670021 1073625473 /nfs/dbraw/zinc/62/54/73/1073625473.db2.gz OIMLDRLBUPUULR-DHIUTWEWSA-N 1 3 414.594 1.904 20 0 HDADHO CCN1CCN(Cc2ccccc2CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673866436 1073843634 /nfs/dbraw/zinc/84/36/34/1073843634.db2.gz CIHNYEJLDSQDES-UHFFFAOYSA-N 1 3 413.570 1.904 20 0 HDADHO CC(C)(CO)[NH+]1CCN(CC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000673896312 1073867320 /nfs/dbraw/zinc/86/73/20/1073867320.db2.gz UEFKUMHGWFXTNR-UHFFFAOYSA-N 1 3 424.589 1.873 20 0 HDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000477056934 1074762524 /nfs/dbraw/zinc/76/25/24/1074762524.db2.gz MOZSKIXBKLGZEE-GOSISDBHSA-N 1 3 403.571 1.393 20 0 HDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477101281 1074798747 /nfs/dbraw/zinc/79/87/47/1074798747.db2.gz QDIKEFYTWKXXCL-GBESFXJTSA-N 1 3 410.603 1.571 20 0 HDADHO CN(C(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000675605855 1075222709 /nfs/dbraw/zinc/22/27/09/1075222709.db2.gz ZMLRTDUOLNRNLU-RTBURBONSA-N 1 3 411.550 1.699 20 0 HDADHO CN(C(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000675605855 1075222712 /nfs/dbraw/zinc/22/27/12/1075222712.db2.gz ZMLRTDUOLNRNLU-RTBURBONSA-N 1 3 411.550 1.699 20 0 HDADHO CC(=O)Nc1ccc(CN2CCC(NC(=O)COC3CC[NH+](C)CC3)CC2)cc1 ZINC001129158424 1075323382 /nfs/dbraw/zinc/32/33/82/1075323382.db2.gz OSFYJECPHCBPAT-UHFFFAOYSA-N 1 3 402.539 1.836 20 0 HDADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)cn1 ZINC000676094960 1075355162 /nfs/dbraw/zinc/35/51/62/1075355162.db2.gz BRRAPPBMXJJZPX-UHFFFAOYSA-N 1 3 422.599 1.251 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000509436955 1075707360 /nfs/dbraw/zinc/70/73/60/1075707360.db2.gz NGOLCHQTKYAUTG-UHFFFAOYSA-N 1 3 403.571 1.834 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000509436955 1075707369 /nfs/dbraw/zinc/70/73/69/1075707369.db2.gz NGOLCHQTKYAUTG-UHFFFAOYSA-N 1 3 403.571 1.834 20 0 HDADHO C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000495367291 1076007034 /nfs/dbraw/zinc/00/70/34/1076007034.db2.gz BBNHJDPGJLCIHX-UTKZUKDTSA-N 1 3 403.571 1.920 20 0 HDADHO O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000727169732 1076068362 /nfs/dbraw/zinc/06/83/62/1076068362.db2.gz MSYQNULFDGMLJR-NZQKXSOJSA-N 1 3 411.550 1.701 20 0 HDADHO O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727169733 1076068470 /nfs/dbraw/zinc/06/84/70/1076068470.db2.gz MSYQNULFDGMLJR-OFNKIYASSA-N 1 3 411.550 1.701 20 0 HDADHO CC(C)[NH+]1CC[C@H](CN=c2cc(NC[C@@H]3CC[N@@H+](C(C)C)C3)n3[n-]cnc3n2)C1 ZINC000530528421 1076236406 /nfs/dbraw/zinc/23/64/06/1076236406.db2.gz QXQXTTUTAYTSRO-MSOLQXFVSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@H](CN=c2cc(NC[C@@H]3CC[N@H+](C(C)C)C3)n3[n-]cnc3n2)C1 ZINC000530528421 1076236412 /nfs/dbraw/zinc/23/64/12/1076236412.db2.gz QXQXTTUTAYTSRO-MSOLQXFVSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@@H](CNc2cc(=NC[C@H]3CC[N@@H+](C(C)C)C3)nc3nc[n-]n32)C1 ZINC000530528421 1076236420 /nfs/dbraw/zinc/23/64/20/1076236420.db2.gz QXQXTTUTAYTSRO-MSOLQXFVSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@@H](CNc2cc(=NC[C@H]3CC[N@H+](C(C)C)C3)nc3nc[n-]n32)C1 ZINC000530528421 1076236426 /nfs/dbraw/zinc/23/64/26/1076236426.db2.gz QXQXTTUTAYTSRO-MSOLQXFVSA-N 1 3 400.575 1.831 20 0 HDADHO COCCN(CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC000733952425 1076273544 /nfs/dbraw/zinc/27/35/44/1076273544.db2.gz HAAZGVOTUIXBSH-UHFFFAOYSA-N 1 3 412.575 1.545 20 0 HDADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164881153 721174179 /nfs/dbraw/zinc/17/41/79/721174179.db2.gz ZHFRQDOXYNOHPX-SFTDATJTSA-N 1 3 424.549 1.730 20 0 HDADHO c1cncc(CN2CCO[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164971866 722122683 /nfs/dbraw/zinc/12/26/83/722122683.db2.gz CXVKHJRSZXHPOI-PMACEKPBSA-N 1 3 409.538 1.009 20 0 HDADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000509187833 1073995663 /nfs/dbraw/zinc/99/56/63/1073995663.db2.gz YHBTWQLUMXLJJZ-OALUTQOASA-N 1 3 422.520 1.847 20 0 HDADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000509187833 1073995665 /nfs/dbraw/zinc/99/56/65/1073995665.db2.gz YHBTWQLUMXLJJZ-OALUTQOASA-N 1 3 422.520 1.847 20 0 HDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000674686715 1074524158 /nfs/dbraw/zinc/52/41/58/1074524158.db2.gz BMLPKIXYYQVZDK-GOSISDBHSA-N 1 3 414.554 1.650 20 0 HDADHO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000676128846 1075388767 /nfs/dbraw/zinc/38/87/67/1075388767.db2.gz FPIOQARTKGUCPP-AZUAARDMSA-N 1 3 400.527 1.449 20 0 HDADHO CC[NH+](CC)CCOC1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000466736162 1075594195 /nfs/dbraw/zinc/59/41/95/1075594195.db2.gz UDPHBHWWUWCQJN-KRWDZBQOSA-N 1 3 403.523 1.466 20 0 HDADHO CN(CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188916 1075654462 /nfs/dbraw/zinc/65/44/62/1075654462.db2.gz OKPJMEKBNMIUAP-OFNKIYASSA-N 1 3 411.550 1.699 20 0 HDADHO CN(CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732188916 1075654464 /nfs/dbraw/zinc/65/44/64/1075654464.db2.gz OKPJMEKBNMIUAP-OFNKIYASSA-N 1 3 411.550 1.699 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3CN3CCCC3=O)CC2)CC1 ZINC000732457798 1075749359 /nfs/dbraw/zinc/74/93/59/1075749359.db2.gz AFUFZKXDIIHSIZ-FQEVSTJZSA-N 1 3 405.587 1.732 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCNc3ccc4ccccc4n3)CC2)CC1 ZINC000555336358 1075777462 /nfs/dbraw/zinc/77/74/62/1075777462.db2.gz RJFZEJWXLVLVMC-UHFFFAOYSA-N 1 3 410.566 2.505 20 0 HDADHO CC(C)[NH+]1CCN(C2CCN([C@H](C)C(=O)NC(=O)NCc3ccccc3)CC2)CC1 ZINC000611181242 1075867897 /nfs/dbraw/zinc/86/78/97/1075867897.db2.gz WOQNWCWEBIEAGM-LJQANCHMSA-N 1 3 415.582 1.891 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](N4CCCCC4=O)C3)CC2)CC1 ZINC000732824033 1075880059 /nfs/dbraw/zinc/88/00/59/1075880059.db2.gz GCUBJGRSBHOERR-FQEVSTJZSA-N 1 3 405.587 1.732 20 0 HDADHO Cc1cn(C)c(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000495127391 1076005660 /nfs/dbraw/zinc/00/56/60/1076005660.db2.gz JCAVXVRMMLHNHH-IAGOWNOFSA-N 1 3 413.566 1.195 20 0 HDADHO Cc1cn(C)c(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000495127391 1076005665 /nfs/dbraw/zinc/00/56/65/1076005665.db2.gz JCAVXVRMMLHNHH-IAGOWNOFSA-N 1 3 413.566 1.195 20 0 HDADHO O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000727169734 1076068448 /nfs/dbraw/zinc/06/84/48/1076068448.db2.gz MSYQNULFDGMLJR-REWPJTCUSA-N 1 3 411.550 1.701 20 0 HDADHO CNC(=O)CN1CCCC12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164690053 719751617 /nfs/dbraw/zinc/75/16/17/719751617.db2.gz RIFJGYVMOZGHQG-UHFFFAOYSA-N 1 3 402.543 1.036 20 0 HDADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748703 720804173 /nfs/dbraw/zinc/80/41/73/720804173.db2.gz RBICSKRDDCPXTR-ICSRJNTNSA-N 1 3 410.522 1.592 20 0 HDADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748705 720804433 /nfs/dbraw/zinc/80/44/33/720804433.db2.gz RBICSKRDDCPXTR-UYAOXDASSA-N 1 3 410.522 1.592 20 0 HDADHO c1cc(CN2CCOCC3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)CC3)C2)ccn1 ZINC001164961168 722053699 /nfs/dbraw/zinc/05/36/99/722053699.db2.gz TXZYESKULJDGHQ-UHFFFAOYSA-N 1 3 423.565 1.400 20 0 HDADHO CN(C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670022 1073625565 /nfs/dbraw/zinc/62/55/65/1073625565.db2.gz OIMLDRLBUPUULR-GOTSBHOMSA-N 1 3 414.594 1.904 20 0 HDADHO CN1CCN(CCCNC(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](c2ccccc2)C1 ZINC000673867908 1073833057 /nfs/dbraw/zinc/83/30/57/1073833057.db2.gz UBESXYASZDOUKA-NRFANRHFSA-N 1 3 413.570 1.945 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000509392470 1075460813 /nfs/dbraw/zinc/46/08/13/1075460813.db2.gz JHJNDQAKMZIKSR-FQEVSTJZSA-N 1 3 403.571 1.355 20 0 HDADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000732246126 1075679805 /nfs/dbraw/zinc/67/98/05/1075679805.db2.gz NKWPDRZEVUYMBQ-FPOVZHCZSA-N 1 3 402.539 1.824 20 0 HDADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1Cc1ccccc1 ZINC000495373713 1076008989 /nfs/dbraw/zinc/00/89/89/1076008989.db2.gz HNSZSEGOEPHUDP-RXVVDRJESA-N 1 3 415.582 1.891 20 0 HDADHO c1cncc(CN2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3C2)c1 ZINC001164976023 722133212 /nfs/dbraw/zinc/13/32/12/722133212.db2.gz GKTXNGYALYDKGI-IRLDBZIGSA-N 1 3 408.550 1.614 20 0 HDADHO Cc1cc(N2CCC(NC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)nc(C)n1 ZINC000674159966 1074195616 /nfs/dbraw/zinc/19/56/16/1074195616.db2.gz UFFSIBJGFPTCSF-IBGZPJMESA-N 1 3 415.586 1.530 20 0 HDADHO O=C1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CN1CCN1CCOCC1 ZINC000676419597 1075549852 /nfs/dbraw/zinc/54/98/52/1075549852.db2.gz VVQSQCRAACEMSH-OAQYLSRUSA-N 1 3 416.566 1.184 20 0 HDADHO CC(C)OC(=O)N1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000732995769 1075943003 /nfs/dbraw/zinc/94/30/03/1075943003.db2.gz SDFXQSVWXVAQAQ-UHFFFAOYSA-N 1 3 409.575 1.854 20 0 HDADHO Cn1ccnc1N1CCN(CCCCC[NH+]2CCN(c3nccn3C)CC2)CC1 ZINC000534111332 1076246889 /nfs/dbraw/zinc/24/68/89/1076246889.db2.gz ZBEFCJCOHVJDSX-UHFFFAOYSA-N 1 3 400.575 1.268 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)CC2)CC1 ZINC000727801146 1076258746 /nfs/dbraw/zinc/25/87/46/1076258746.db2.gz FBGLLJYCUMZLSU-MRXNPFEDSA-N 1 3 420.476 1.825 20 0 HDADHO CC(C)[N@@H+]1CCCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000727824565 1076268144 /nfs/dbraw/zinc/26/81/44/1076268144.db2.gz XQRIIOXZUWCTMD-HSZRJFAPSA-N 1 3 413.566 1.947 20 0 HDADHO CC(C)[N@H+]1CCCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000727824565 1076268150 /nfs/dbraw/zinc/26/81/50/1076268150.db2.gz XQRIIOXZUWCTMD-HSZRJFAPSA-N 1 3 413.566 1.947 20 0 HDADHO CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCSC1 ZINC000674040839 1074122686 /nfs/dbraw/zinc/12/26/86/1074122686.db2.gz XMDDMHVYNWKSDR-FQEVSTJZSA-N 1 3 408.568 1.509 20 0 HDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(CN4CCOCC4)CCCCC3)C2)CC1 ZINC000674390638 1074305068 /nfs/dbraw/zinc/30/50/68/1074305068.db2.gz IZTQKPOKSMWKQN-HXUWFJFHSA-N 1 3 421.630 1.737 20 0 HDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(CN4CCOCC4)CCCCC3)C2)CC1 ZINC000674390638 1074305073 /nfs/dbraw/zinc/30/50/73/1074305073.db2.gz IZTQKPOKSMWKQN-HXUWFJFHSA-N 1 3 421.630 1.737 20 0 HDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCC3(CN4CCOCC4)CCCCC3)C2)CC1 ZINC000674390638 1074305082 /nfs/dbraw/zinc/30/50/82/1074305082.db2.gz IZTQKPOKSMWKQN-HXUWFJFHSA-N 1 3 421.630 1.737 20 0 HDADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674669261 1074519793 /nfs/dbraw/zinc/51/97/93/1074519793.db2.gz LCHQBTLAEWDRGJ-INIZCTEOSA-N 1 3 407.580 1.868 20 0 HDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676094138 1075357118 /nfs/dbraw/zinc/35/71/18/1075357118.db2.gz QYWKNFWESXQHRK-UHFFFAOYSA-N 1 3 422.480 1.252 20 0 HDADHO CN(CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188917 1075654555 /nfs/dbraw/zinc/65/45/55/1075654555.db2.gz OKPJMEKBNMIUAP-REWPJTCUSA-N 1 3 411.550 1.699 20 0 HDADHO CN(CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732188917 1075654558 /nfs/dbraw/zinc/65/45/58/1075654558.db2.gz OKPJMEKBNMIUAP-REWPJTCUSA-N 1 3 411.550 1.699 20 0 HDADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2)CC1 ZINC000611181094 1075867869 /nfs/dbraw/zinc/86/78/69/1075867869.db2.gz FZBRVYLNEXTTFY-UHFFFAOYSA-N 1 3 407.481 1.255 20 0 HDADHO CC(C)[NH+]1CCN(C2CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)CC1 ZINC000611180903 1075868488 /nfs/dbraw/zinc/86/84/88/1075868488.db2.gz FQFFGCKZYOQHCH-CQSZACIVSA-N 1 3 407.481 1.253 20 0 HDADHO CS[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C[C@H]1[NH+](C)C ZINC000611217170 1075878184 /nfs/dbraw/zinc/87/81/84/1075878184.db2.gz VFJKOZZFLXJUGO-MOPGFXCFSA-N 1 3 414.579 1.681 20 0 HDADHO CS[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C[C@@H]1[NH+](C)C ZINC000611217175 1075878342 /nfs/dbraw/zinc/87/83/42/1075878342.db2.gz VFJKOZZFLXJUGO-OALUTQOASA-N 1 3 414.579 1.681 20 0 HDADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000495396498 1076013376 /nfs/dbraw/zinc/01/33/76/1076013376.db2.gz PNXGZLUDBRXWBX-FQEVSTJZSA-N 1 3 419.570 1.540 20 0 HDADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)cc2)CC1 ZINC000730918054 1076691429 /nfs/dbraw/zinc/69/14/29/1076691429.db2.gz CEVWAIDIUHAGLL-NRFANRHFSA-N 1 3 413.566 1.854 20 0 HDADHO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)cc2)CC1 ZINC000730918054 1076691436 /nfs/dbraw/zinc/69/14/36/1076691436.db2.gz CEVWAIDIUHAGLL-NRFANRHFSA-N 1 3 413.566 1.854 20 0 HDADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933279 721877388 /nfs/dbraw/zinc/87/73/88/721877388.db2.gz LJRULBRWNUTBAY-QZTJIDSGSA-N 1 3 400.575 1.287 20 0 HDADHO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933279 721877389 /nfs/dbraw/zinc/87/73/89/721877389.db2.gz LJRULBRWNUTBAY-QZTJIDSGSA-N 1 3 400.575 1.287 20 0 HDADHO c1cncc(CN2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164977262 722105844 /nfs/dbraw/zinc/10/58/44/722105844.db2.gz FLUQSCKJUNPYKE-WOJBJXKFSA-N 1 3 409.538 1.009 20 0 HDADHO CN1CCN(CCCNC(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](c2ccccc2)C1 ZINC000673867909 1073833863 /nfs/dbraw/zinc/83/38/63/1073833863.db2.gz UBESXYASZDOUKA-OAQYLSRUSA-N 1 3 413.570 1.945 20 0 HDADHO CN1CCN(C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000674139844 1074194125 /nfs/dbraw/zinc/19/41/25/1074194125.db2.gz DBCXIGOCZVDADY-UHFFFAOYSA-N 1 3 417.598 1.469 20 0 HDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477101284 1074799475 /nfs/dbraw/zinc/79/94/75/1074799475.db2.gz QDIKEFYTWKXXCL-QRVBRYPASA-N 1 3 410.603 1.571 20 0 HDADHO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000676092113 1075352918 /nfs/dbraw/zinc/35/29/18/1075352918.db2.gz XRNHSWPJAKTIIB-UHFFFAOYSA-N 1 3 404.474 1.940 20 0 HDADHO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000676128856 1075388708 /nfs/dbraw/zinc/38/87/08/1075388708.db2.gz FPIOQARTKGUCPP-UYAOXDASSA-N 1 3 400.527 1.449 20 0 HDADHO CC(C)(CO)[NH+]1CCN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000676702298 1075652173 /nfs/dbraw/zinc/65/21/73/1075652173.db2.gz UMJUDHBVYUHLBP-HXUWFJFHSA-N 1 3 423.001 1.982 20 0 HDADHO CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427137835 1075723391 /nfs/dbraw/zinc/72/33/91/1075723391.db2.gz UFHDTDUWAQXOSR-UHFFFAOYSA-N 1 3 412.538 1.679 20 0 HDADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000495385930 1076008976 /nfs/dbraw/zinc/00/89/76/1076008976.db2.gz QKZHWHYHKYFSGX-WMZOPIPTSA-N 1 3 407.559 1.951 20 0 HDADHO Cc1nc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)cc(N(C)C)[nH+]1 ZINC001164826416 720433603 /nfs/dbraw/zinc/43/36/03/720433603.db2.gz WFXQAINTZRVMGH-KRWDZBQOSA-N 1 3 415.542 1.037 20 0 HDADHO c1cc(OCC[NH+]2CCCC2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743359 720742700 /nfs/dbraw/zinc/74/27/00/720742700.db2.gz PSNMOTOTQVKTSO-MOPGFXCFSA-N 1 3 410.522 1.688 20 0 HDADHO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883873 721414997 /nfs/dbraw/zinc/41/49/97/721414997.db2.gz CEBUCVMLHKAGRL-IIBYNOLFSA-N 1 3 401.511 1.178 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978054 722130871 /nfs/dbraw/zinc/13/08/71/722130871.db2.gz JKLVGYDNZKTHPH-FPOVZHCZSA-N 1 3 423.565 1.526 20 0 HDADHO CN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670020 1073625288 /nfs/dbraw/zinc/62/52/88/1073625288.db2.gz OFILLBLTPHVXRB-QHCPKHFHSA-N 1 3 413.610 1.675 20 0 HDADHO CN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670020 1073625292 /nfs/dbraw/zinc/62/52/92/1073625292.db2.gz OFILLBLTPHVXRB-QHCPKHFHSA-N 1 3 413.610 1.675 20 0 HDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000477030891 1074729387 /nfs/dbraw/zinc/72/93/87/1074729387.db2.gz GGSNLEPYBQCQGB-IUDNXUCKSA-N 1 3 406.493 1.754 20 0 HDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494361 1074748921 /nfs/dbraw/zinc/74/89/21/1074748921.db2.gz SFLBMYPKYOXASU-UHFFFAOYSA-N 1 3 403.354 1.604 20 0 HDADHO CN(CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188914 1075654587 /nfs/dbraw/zinc/65/45/87/1075654587.db2.gz OKPJMEKBNMIUAP-NFBKMPQASA-N 1 3 411.550 1.699 20 0 HDADHO CN(CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732188914 1075654590 /nfs/dbraw/zinc/65/45/90/1075654590.db2.gz OKPJMEKBNMIUAP-NFBKMPQASA-N 1 3 411.550 1.699 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000509277956 1075817590 /nfs/dbraw/zinc/81/75/90/1075817590.db2.gz DDAIUNOBLPITSI-FQEVSTJZSA-N 1 3 409.619 1.939 20 0 HDADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1Cc1ccccc1 ZINC000495373714 1076008948 /nfs/dbraw/zinc/00/89/48/1076008948.db2.gz HNSZSEGOEPHUDP-WIYYLYMNSA-N 1 3 415.582 1.891 20 0 HDADHO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883872 721414345 /nfs/dbraw/zinc/41/43/45/721414345.db2.gz CEBUCVMLHKAGRL-IERDGZPVSA-N 1 3 401.511 1.178 20 0 HDADHO CCOC(=O)c1cnc2cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)[nH]cc1-2 ZINC001164796831 721518150 /nfs/dbraw/zinc/51/81/50/721518150.db2.gz CZHKDDZZNPSRRW-UHFFFAOYSA-N 1 3 423.521 1.704 20 0 HDADHO CN1CCN(c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164980530 722128770 /nfs/dbraw/zinc/12/87/70/722128770.db2.gz RRCOPFNWPJSVFY-YADHBBJMSA-N 1 3 422.577 1.956 20 0 HDADHO CN1CCN(c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164980530 722128773 /nfs/dbraw/zinc/12/87/73/722128773.db2.gz RRCOPFNWPJSVFY-YADHBBJMSA-N 1 3 422.577 1.956 20 0 HDADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)Nc1cnn(-c2ccncc2)c1 ZINC000673864103 1073831624 /nfs/dbraw/zinc/83/16/24/1073831624.db2.gz GDIPGPQPDAURCT-UHFFFAOYSA-N 1 3 406.494 1.996 20 0 HDADHO O=C(NCC1(CN2CCOCC2)CCCCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674404445 1074315470 /nfs/dbraw/zinc/31/54/70/1074315470.db2.gz PGXRURSFFKGGEV-UXHICEINSA-N 1 3 408.587 1.510 20 0 HDADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1-c1cc(C)cc(C)c1 ZINC000526132125 1074687863 /nfs/dbraw/zinc/68/78/63/1074687863.db2.gz YKPGPQJJVJSORW-UHFFFAOYSA-N 1 3 414.554 1.688 20 0 HDADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC1=O ZINC000675511685 1075191106 /nfs/dbraw/zinc/19/11/06/1075191106.db2.gz RIVYULWIYGOPLQ-QRVBRYPASA-N 1 3 414.550 1.675 20 0 HDADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC1=O ZINC000675511685 1075191108 /nfs/dbraw/zinc/19/11/08/1075191108.db2.gz RIVYULWIYGOPLQ-QRVBRYPASA-N 1 3 414.550 1.675 20 0 HDADHO c1cc2c(cn1)nc(NCCN1CCCOCC1)cc2NCC[N@@H+]1CCCOCC1 ZINC000561304746 1075322476 /nfs/dbraw/zinc/32/24/76/1075322476.db2.gz QVKFFKWQOALAGC-UHFFFAOYSA-N 1 3 414.554 1.898 20 0 HDADHO c1cc2c(cn1)nc(NCCN1CCCOCC1)cc2NCC[N@H+]1CCCOCC1 ZINC000561304746 1075322477 /nfs/dbraw/zinc/32/24/77/1075322477.db2.gz QVKFFKWQOALAGC-UHFFFAOYSA-N 1 3 414.554 1.898 20 0 HDADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448514743 1075722961 /nfs/dbraw/zinc/72/29/61/1075722961.db2.gz YJXIUPDWUCVYDV-UHFFFAOYSA-N 1 3 420.945 1.627 20 0 HDADHO CCOC(=O)COc1ccc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000611211204 1075874822 /nfs/dbraw/zinc/87/48/22/1075874822.db2.gz UDRWKOYTMMDVGQ-DENIHFKCSA-N 1 3 419.566 1.965 20 0 HDADHO CCOC(=O)COc1ccc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000611211204 1075874825 /nfs/dbraw/zinc/87/48/25/1075874825.db2.gz UDRWKOYTMMDVGQ-DENIHFKCSA-N 1 3 419.566 1.965 20 0 HDADHO C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000495367292 1076007013 /nfs/dbraw/zinc/00/70/13/1076007013.db2.gz BBNHJDPGJLCIHX-UWJYYQICSA-N 1 3 403.571 1.920 20 0 HDADHO O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727169730 1076068494 /nfs/dbraw/zinc/06/84/94/1076068494.db2.gz MSYQNULFDGMLJR-NFBKMPQASA-N 1 3 411.550 1.701 20 0 HDADHO C[NH+](C)CCn1cc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cn1 ZINC000674571666 1074449728 /nfs/dbraw/zinc/44/97/28/1074449728.db2.gz IASBBABODWHMKS-UHFFFAOYSA-N 1 3 400.527 1.723 20 0 HDADHO COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)N2CCCCC2)cc1 ZINC000670527673 1075151491 /nfs/dbraw/zinc/15/14/91/1075151491.db2.gz WBRROWLNDZZMAA-AZUAARDMSA-N 1 3 402.539 1.549 20 0 HDADHO COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)N2CCCCC2)cc1 ZINC000670527673 1075151492 /nfs/dbraw/zinc/15/14/92/1075151492.db2.gz WBRROWLNDZZMAA-AZUAARDMSA-N 1 3 402.539 1.549 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000509346048 1075181993 /nfs/dbraw/zinc/18/19/93/1075181993.db2.gz UYWJYKJEZZKSHN-BGYRXZFFSA-N 1 3 409.619 1.940 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000509346048 1075181996 /nfs/dbraw/zinc/18/19/96/1075181996.db2.gz UYWJYKJEZZKSHN-BGYRXZFFSA-N 1 3 409.619 1.940 20 0 HDADHO CN(C(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1)[C@H]1CCN(C2CC2)C1 ZINC000675605853 1075222590 /nfs/dbraw/zinc/22/25/90/1075222590.db2.gz ZMLRTDUOLNRNLU-OALUTQOASA-N 1 3 411.550 1.699 20 0 HDADHO CN(C(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)n1)[C@H]1CCN(C2CC2)C1 ZINC000675605853 1075222594 /nfs/dbraw/zinc/22/25/94/1075222594.db2.gz ZMLRTDUOLNRNLU-OALUTQOASA-N 1 3 411.550 1.699 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000509407059 1075518372 /nfs/dbraw/zinc/51/83/72/1075518372.db2.gz IXDNAMXHFACIHM-UHFFFAOYSA-N 1 3 415.582 1.978 20 0 HDADHO O=C1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CN1CCN1CCOCC1 ZINC000676419595 1075549678 /nfs/dbraw/zinc/54/96/78/1075549678.db2.gz VVQSQCRAACEMSH-NRFANRHFSA-N 1 3 416.566 1.184 20 0 HDADHO C[C@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2C[N@H+](C)CC3)c2c1CNCC2 ZINC001164855020 720806067 /nfs/dbraw/zinc/80/60/67/720806067.db2.gz WDBIGIOALHWOBD-LBPRGKRZSA-N 1 3 415.929 1.574 20 0 HDADHO C[C@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2C[N@@H+](C)CC3)c2c1CNCC2 ZINC001164855020 720806072 /nfs/dbraw/zinc/80/60/72/720806072.db2.gz WDBIGIOALHWOBD-LBPRGKRZSA-N 1 3 415.929 1.574 20 0 HDADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894415 721427072 /nfs/dbraw/zinc/42/70/72/721427072.db2.gz MKFQOSTUDJOQLS-JTHBVZDNSA-N 1 3 414.598 1.257 20 0 HDADHO c1cncc(CN2CCO[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164971869 722122051 /nfs/dbraw/zinc/12/20/51/722122051.db2.gz CXVKHJRSZXHPOI-WOJBJXKFSA-N 1 3 409.538 1.009 20 0 HDADHO c1cncc(CN2CCO[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164971867 722122346 /nfs/dbraw/zinc/12/23/46/722122346.db2.gz CXVKHJRSZXHPOI-UXHICEINSA-N 1 3 409.538 1.009 20 0 HDADHO C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)n2)CN1C1CC1 ZINC000674710073 1074537031 /nfs/dbraw/zinc/53/70/31/1074537031.db2.gz WPRUHKRTRMWEMT-NCOADZHNSA-N 1 3 411.550 1.792 20 0 HDADHO C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)n2)CN1C1CC1 ZINC000674710073 1074537040 /nfs/dbraw/zinc/53/70/40/1074537040.db2.gz WPRUHKRTRMWEMT-NCOADZHNSA-N 1 3 411.550 1.792 20 0 HDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543617955 1074780219 /nfs/dbraw/zinc/78/02/19/1074780219.db2.gz JPLGZHXDKOOEGT-UHFFFAOYSA-N 1 3 404.603 1.415 20 0 HDADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC1=O ZINC000675511682 1075191124 /nfs/dbraw/zinc/19/11/24/1075191124.db2.gz RIVYULWIYGOPLQ-GUDVDZBRSA-N 1 3 414.550 1.675 20 0 HDADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC1=O ZINC000675511682 1075191126 /nfs/dbraw/zinc/19/11/26/1075191126.db2.gz RIVYULWIYGOPLQ-GUDVDZBRSA-N 1 3 414.550 1.675 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000509384878 1075375116 /nfs/dbraw/zinc/37/51/16/1075375116.db2.gz ICMWKRYEMJPELG-UHFFFAOYSA-N 1 3 415.582 1.978 20 0 HDADHO C[NH+](C)CCn1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)n1 ZINC000438698233 1075737423 /nfs/dbraw/zinc/73/74/23/1075737423.db2.gz RYRPHRMLLHJUPU-UHFFFAOYSA-N 1 3 413.570 2.169 20 0 HDADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC2)CC1 ZINC000611181161 1075868186 /nfs/dbraw/zinc/86/81/86/1075868186.db2.gz RKGVBCFNRUKSCH-UHFFFAOYSA-N 1 3 415.582 1.893 20 0 HDADHO C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000495367290 1076006590 /nfs/dbraw/zinc/00/65/90/1076006590.db2.gz BBNHJDPGJLCIHX-LAUBAEHRSA-N 1 3 403.571 1.920 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 ZINC000730216076 1076478959 /nfs/dbraw/zinc/47/89/59/1076478959.db2.gz MPIDCMJNXUWPQI-MRXNPFEDSA-N 1 3 402.514 1.853 20 0 HDADHO CN1CCC(NC(=S)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000730949323 1076699941 /nfs/dbraw/zinc/69/99/41/1076699941.db2.gz COOQTTMYAWPURV-GOSISDBHSA-N 1 3 403.596 1.442 20 0 HDADHO CN1CCC(NC(=S)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000730949323 1076699948 /nfs/dbraw/zinc/69/99/48/1076699948.db2.gz COOQTTMYAWPURV-GOSISDBHSA-N 1 3 403.596 1.442 20 0 HDADHO c1cc(OCC[NH+]2CCCC2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743361 720742677 /nfs/dbraw/zinc/74/26/77/720742677.db2.gz PSNMOTOTQVKTSO-OALUTQOASA-N 1 3 410.522 1.688 20 0 HDADHO c1cc(OCC[NH+]2CCCC2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743363 720744386 /nfs/dbraw/zinc/74/43/86/720744386.db2.gz PSNMOTOTQVKTSO-RBUKOAKNSA-N 1 3 410.522 1.688 20 0 HDADHO C[NH+]1CCC(Oc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749292 720800788 /nfs/dbraw/zinc/80/07/88/720800788.db2.gz TVHHVZBLXFHARB-FXAWDEMLSA-N 1 3 410.522 1.687 20 0 HDADHO C[NH+]1CCC(Oc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749294 720801072 /nfs/dbraw/zinc/80/10/72/720801072.db2.gz TVHHVZBLXFHARB-XLIONFOSSA-N 1 3 410.522 1.687 20 0 HDADHO C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2C[N@H+](C)CC3)c2c1CNCC2 ZINC001164855017 720806396 /nfs/dbraw/zinc/80/63/96/720806396.db2.gz WDBIGIOALHWOBD-GFCCVEGCSA-N 1 3 415.929 1.574 20 0 HDADHO C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2C[N@@H+](C)CC3)c2c1CNCC2 ZINC001164855017 720806398 /nfs/dbraw/zinc/80/63/98/720806398.db2.gz WDBIGIOALHWOBD-GFCCVEGCSA-N 1 3 415.929 1.574 20 0 HDADHO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3c1CCNC3)CC2 ZINC001164749666 720961578 /nfs/dbraw/zinc/96/15/78/720961578.db2.gz GIQXOKMUVSVDHX-UHFFFAOYSA-N 1 3 404.902 1.223 20 0 HDADHO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883874 721414875 /nfs/dbraw/zinc/41/48/75/721414875.db2.gz CEBUCVMLHKAGRL-KKSFZXQISA-N 1 3 401.511 1.178 20 0 HDADHO CN(C)C(=O)CN1CCC2(CCCN2c2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001165010983 721743487 /nfs/dbraw/zinc/74/34/87/721743487.db2.gz RQRIPFYSHNOPLD-UHFFFAOYSA-N 1 3 400.571 1.532 20 0 HDADHO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001164999872 722251422 /nfs/dbraw/zinc/25/14/22/722251422.db2.gz HXMZZBMFQRPVHU-UHFFFAOYSA-N 1 3 413.482 1.381 20 0 HDADHO CN(C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670023 1073625362 /nfs/dbraw/zinc/62/53/62/1073625362.db2.gz OIMLDRLBUPUULR-PKTZIBPZSA-N 1 3 414.594 1.904 20 0 HDADHO Cc1cccc(N2CCN(CCC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)c1 ZINC000673673714 1073630001 /nfs/dbraw/zinc/63/00/01/1073630001.db2.gz UVBRAPOLMAOWMN-HSZRJFAPSA-N 1 3 413.610 1.746 20 0 HDADHO Cc1cccc(N2CCN(CCC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)c1 ZINC000673673714 1073630004 /nfs/dbraw/zinc/63/00/04/1073630004.db2.gz UVBRAPOLMAOWMN-HSZRJFAPSA-N 1 3 413.610 1.746 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)CC2)CC1 ZINC000675814575 1075275702 /nfs/dbraw/zinc/27/57/02/1075275702.db2.gz BCRMNISTMWTMPI-HXUWFJFHSA-N 1 3 405.587 1.778 20 0 HDADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732885624 1075891575 /nfs/dbraw/zinc/89/15/75/1075891575.db2.gz CCRLPBLBWIEMIB-MRXNPFEDSA-N 1 3 419.492 1.350 20 0 HDADHO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883871 721414001 /nfs/dbraw/zinc/41/40/01/721414001.db2.gz CEBUCVMLHKAGRL-HRAATJIYSA-N 1 3 401.511 1.178 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164904682 721544187 /nfs/dbraw/zinc/54/41/87/721544187.db2.gz FZFJUAFDAJMPOQ-ICSRJNTNSA-N 1 3 412.513 1.885 20 0 HDADHO CN(C(=O)CCN1CCN(c2ccccn2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670114 1073624724 /nfs/dbraw/zinc/62/47/24/1073624724.db2.gz QWASFTGMSUWCPD-OAQYLSRUSA-N 1 3 414.598 1.221 20 0 HDADHO CN(C(=O)CCN1CCN(c2ccccn2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670114 1073624731 /nfs/dbraw/zinc/62/47/31/1073624731.db2.gz QWASFTGMSUWCPD-OAQYLSRUSA-N 1 3 414.598 1.221 20 0 HDADHO CN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670019 1073625481 /nfs/dbraw/zinc/62/54/81/1073625481.db2.gz OFILLBLTPHVXRB-HSZRJFAPSA-N 1 3 413.610 1.675 20 0 HDADHO CN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670019 1073625489 /nfs/dbraw/zinc/62/54/89/1073625489.db2.gz OFILLBLTPHVXRB-HSZRJFAPSA-N 1 3 413.610 1.675 20 0 HDADHO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000673672475 1073626798 /nfs/dbraw/zinc/62/67/98/1073626798.db2.gz ICOQYMUFYQWJDW-VXKWHMMOSA-N 1 3 400.567 1.564 20 0 HDADHO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000673672475 1073626800 /nfs/dbraw/zinc/62/68/00/1073626800.db2.gz ICOQYMUFYQWJDW-VXKWHMMOSA-N 1 3 400.567 1.564 20 0 HDADHO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000673958858 1073938487 /nfs/dbraw/zinc/93/84/87/1073938487.db2.gz YGEGPBKMKVFRDR-OAQYLSRUSA-N 1 3 414.579 1.731 20 0 HDADHO COC1CCN(CCNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000674331459 1074286223 /nfs/dbraw/zinc/28/62/23/1074286223.db2.gz HFIHFNDFSOFZBC-UHFFFAOYSA-N 1 3 404.555 1.553 20 0 HDADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674669264 1074519714 /nfs/dbraw/zinc/51/97/14/1074519714.db2.gz LCHQBTLAEWDRGJ-MRXNPFEDSA-N 1 3 407.580 1.868 20 0 HDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000674686716 1074524073 /nfs/dbraw/zinc/52/40/73/1074524073.db2.gz BMLPKIXYYQVZDK-SFHVURJKSA-N 1 3 414.554 1.650 20 0 HDADHO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)N2CCCCC2)cc1 ZINC000670527675 1075152412 /nfs/dbraw/zinc/15/24/12/1075152412.db2.gz WBRROWLNDZZMAA-QUCCMNQESA-N 1 3 402.539 1.549 20 0 HDADHO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)N2CCCCC2)cc1 ZINC000670527675 1075152417 /nfs/dbraw/zinc/15/24/17/1075152417.db2.gz WBRROWLNDZZMAA-QUCCMNQESA-N 1 3 402.539 1.549 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)CC1 ZINC000675557523 1075202422 /nfs/dbraw/zinc/20/24/22/1075202422.db2.gz OWHAVKYYHBEQPO-IBGZPJMESA-N 1 3 405.587 1.635 20 0 HDADHO CN(C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675606090 1075222793 /nfs/dbraw/zinc/22/27/93/1075222793.db2.gz VACWVDOOIMCINU-GGAORHGYSA-N 1 3 414.594 1.811 20 0 HDADHO Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474381 1075361125 /nfs/dbraw/zinc/36/11/25/1075361125.db2.gz PJGWMWAFEQXDRI-ROUUACIJSA-N 1 3 410.522 1.157 20 0 HDADHO Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731474381 1075361132 /nfs/dbraw/zinc/36/11/32/1075361132.db2.gz PJGWMWAFEQXDRI-ROUUACIJSA-N 1 3 410.522 1.157 20 0 HDADHO C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H](c1ccccc1)N(C)C ZINC000427236146 1075583755 /nfs/dbraw/zinc/58/37/55/1075583755.db2.gz DQIXYTSDADKPHY-UZLBHIALSA-N 1 3 412.538 1.896 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000509277957 1075817477 /nfs/dbraw/zinc/81/74/77/1075817477.db2.gz DDAIUNOBLPITSI-HXUWFJFHSA-N 1 3 409.619 1.939 20 0 HDADHO c1cncc(CN2CCO[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164971868 722122596 /nfs/dbraw/zinc/12/25/96/722122596.db2.gz CXVKHJRSZXHPOI-VQTJNVASSA-N 1 3 409.538 1.009 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978058 722130359 /nfs/dbraw/zinc/13/03/59/722130359.db2.gz JKLVGYDNZKTHPH-TZIWHRDSSA-N 1 3 423.565 1.526 20 0 HDADHO CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670024 1073625417 /nfs/dbraw/zinc/62/54/17/1073625417.db2.gz OIMLDRLBUPUULR-XZOQPEGZSA-N 1 3 414.594 1.904 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000509339097 1075152622 /nfs/dbraw/zinc/15/26/22/1075152622.db2.gz AAAIXBOFYTXFOA-UHFFFAOYSA-N 1 3 419.570 1.323 20 0 HDADHO CN1CCN(c2cccc(C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)n2)CC1 ZINC000509396778 1075473890 /nfs/dbraw/zinc/47/38/90/1075473890.db2.gz MOMHJGBLXAVEEW-UHFFFAOYSA-N 1 3 415.582 1.798 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000509434738 1075678598 /nfs/dbraw/zinc/67/85/98/1075678598.db2.gz ZBKYBHXTORCWMR-FQEVSTJZSA-N 1 3 403.571 1.793 20 0 HDADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000732246128 1075679798 /nfs/dbraw/zinc/67/97/98/1075679798.db2.gz NKWPDRZEVUYMBQ-TZIWHRDSSA-N 1 3 402.539 1.824 20 0 HDADHO C[NH+](C)CCn1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 ZINC000467951129 1075737414 /nfs/dbraw/zinc/73/74/14/1075737414.db2.gz AJXRJPKRJQQGEW-UHFFFAOYSA-N 1 3 402.465 2.372 20 0 HDADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748702 720804497 /nfs/dbraw/zinc/80/44/97/720804497.db2.gz RBICSKRDDCPXTR-AZUAARDMSA-N 1 3 410.522 1.592 20 0 HDADHO O=C(NCC1(CN2CCOCC2)CCCCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000674404447 1074315896 /nfs/dbraw/zinc/31/58/96/1074315896.db2.gz PGXRURSFFKGGEV-WOJBJXKFSA-N 1 3 408.587 1.510 20 0 HDADHO c1cnc2nc(NCCN3CCSCC3)c(NCC[NH+]3CCSCC3)nc2c1 ZINC000675151113 1074738420 /nfs/dbraw/zinc/73/84/20/1074738420.db2.gz HKRCOWNPCWHRNN-UHFFFAOYSA-N 1 3 419.624 1.946 20 0 HDADHO c1cnc2nc(NCC[NH+]3CCSCC3)c(NCCN3CCSCC3)nc2c1 ZINC000675151113 1074738426 /nfs/dbraw/zinc/73/84/26/1074738426.db2.gz HKRCOWNPCWHRNN-UHFFFAOYSA-N 1 3 419.624 1.946 20 0 HDADHO CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675606089 1075222774 /nfs/dbraw/zinc/22/27/74/1075222774.db2.gz VACWVDOOIMCINU-FYYLOGMGSA-N 1 3 414.594 1.811 20 0 HDADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093779 1075353650 /nfs/dbraw/zinc/35/36/50/1075353650.db2.gz OZAHYHBDZWISEC-UHFFFAOYSA-N 1 3 420.945 1.627 20 0 HDADHO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000676128851 1075388734 /nfs/dbraw/zinc/38/87/34/1075388734.db2.gz FPIOQARTKGUCPP-ICSRJNTNSA-N 1 3 400.527 1.449 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3CN3CCCC3=O)CC2)CC1 ZINC000732457800 1075749293 /nfs/dbraw/zinc/74/92/93/1075749293.db2.gz AFUFZKXDIIHSIZ-HXUWFJFHSA-N 1 3 405.587 1.732 20 0 HDADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000727951117 1076295800 /nfs/dbraw/zinc/29/58/00/1076295800.db2.gz GWYHMWUBWRMLOB-UHFFFAOYSA-N 1 3 401.555 1.710 20 0 HDADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000727951117 1076295804 /nfs/dbraw/zinc/29/58/04/1076295804.db2.gz GWYHMWUBWRMLOB-UHFFFAOYSA-N 1 3 401.555 1.710 20 0 HDADHO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000728024810 1076308775 /nfs/dbraw/zinc/30/87/75/1076308775.db2.gz CVEOEDAAKWBCJM-WPBBSXQFSA-N 1 3 408.612 1.919 20 0 HDADHO COC1CCN(CCNC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000674329051 1074278045 /nfs/dbraw/zinc/27/80/45/1074278045.db2.gz WNAQGYWRMXMFGU-UHFFFAOYSA-N 1 3 417.598 1.999 20 0 HDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000477053709 1074755070 /nfs/dbraw/zinc/75/50/70/1074755070.db2.gz ASEGGHDSPIYZEI-KRWDZBQOSA-N 1 3 404.555 1.106 20 0 HDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000439214275 1075229317 /nfs/dbraw/zinc/22/93/17/1075229317.db2.gz XEXBCWQZTGQOJS-IBGZPJMESA-N 1 3 412.538 1.685 20 0 HDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000439214275 1075229319 /nfs/dbraw/zinc/22/93/19/1075229319.db2.gz XEXBCWQZTGQOJS-IBGZPJMESA-N 1 3 412.538 1.685 20 0 HDADHO CC(C)C1CCC(N2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)CC1 ZINC000440476855 1075803325 /nfs/dbraw/zinc/80/33/25/1075803325.db2.gz JRMMTYLNOZCBLZ-UHFFFAOYSA-N 1 3 424.549 2.565 20 0 HDADHO O=C(CN1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1)N1CCCC1 ZINC000509278269 1075811367 /nfs/dbraw/zinc/81/13/67/1075811367.db2.gz YCQRLVQOEYCHCW-UHFFFAOYSA-N 1 3 413.610 1.829 20 0 HDADHO CCOC(=O)COc1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000611211212 1075874637 /nfs/dbraw/zinc/87/46/37/1075874637.db2.gz UDRWKOYTMMDVGQ-UGKGYDQZSA-N 1 3 419.566 1.965 20 0 HDADHO CCOC(=O)COc1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000611211212 1075874644 /nfs/dbraw/zinc/87/46/44/1075874644.db2.gz UDRWKOYTMMDVGQ-UGKGYDQZSA-N 1 3 419.566 1.965 20 0 HDADHO CS[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C[C@@H]1[NH+](C)C ZINC000611217176 1075878326 /nfs/dbraw/zinc/87/83/26/1075878326.db2.gz VFJKOZZFLXJUGO-RBUKOAKNSA-N 1 3 414.579 1.681 20 0 HDADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732885617 1075891441 /nfs/dbraw/zinc/89/14/41/1075891441.db2.gz CCRLPBLBWIEMIB-INIZCTEOSA-N 1 3 419.492 1.350 20 0 HDADHO Cc1cn(C)c(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000495127389 1076004809 /nfs/dbraw/zinc/00/48/09/1076004809.db2.gz JCAVXVRMMLHNHH-DLBZAZTESA-N 1 3 413.566 1.195 20 0 HDADHO Cc1cn(C)c(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000495127389 1076004813 /nfs/dbraw/zinc/00/48/13/1076004813.db2.gz JCAVXVRMMLHNHH-DLBZAZTESA-N 1 3 413.566 1.195 20 0 HDADHO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)[nH+]c(C)n3)C2)C1 ZINC001164717250 720218957 /nfs/dbraw/zinc/21/89/57/720218957.db2.gz HIYVJDHJWHZCLO-NRFANRHFSA-N 1 3 402.543 1.050 20 0 HDADHO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)nc(C)[nH+]3)C2)C1 ZINC001164717250 720218959 /nfs/dbraw/zinc/21/89/59/720218959.db2.gz HIYVJDHJWHZCLO-NRFANRHFSA-N 1 3 402.543 1.050 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164865723 721113145 /nfs/dbraw/zinc/11/31/45/721113145.db2.gz OVMRUPYADWKQLL-UXHICEINSA-N 1 3 409.538 1.279 20 0 HDADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894414 721426915 /nfs/dbraw/zinc/42/69/15/721426915.db2.gz MKFQOSTUDJOQLS-GMAHTHKFSA-N 1 3 414.598 1.257 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164904686 721543787 /nfs/dbraw/zinc/54/37/87/721543787.db2.gz FZFJUAFDAJMPOQ-UYAOXDASSA-N 1 3 412.513 1.885 20 0 HDADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933280 721877513 /nfs/dbraw/zinc/87/75/13/721877513.db2.gz LJRULBRWNUTBAY-ROUUACIJSA-N 1 3 400.575 1.287 20 0 HDADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933280 721877515 /nfs/dbraw/zinc/87/75/15/721877515.db2.gz LJRULBRWNUTBAY-ROUUACIJSA-N 1 3 400.575 1.287 20 0 HDADHO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000673958857 1073938525 /nfs/dbraw/zinc/93/85/25/1073938525.db2.gz YGEGPBKMKVFRDR-NRFANRHFSA-N 1 3 414.579 1.731 20 0 HDADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000509187829 1073995597 /nfs/dbraw/zinc/99/55/97/1073995597.db2.gz YHBTWQLUMXLJJZ-MOPGFXCFSA-N 1 3 422.520 1.847 20 0 HDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000509187829 1073995602 /nfs/dbraw/zinc/99/56/02/1073995602.db2.gz YHBTWQLUMXLJJZ-MOPGFXCFSA-N 1 3 422.520 1.847 20 0 HDADHO Cc1cc(N2CCC(NC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)nc(C)n1 ZINC000674159967 1074195706 /nfs/dbraw/zinc/19/57/06/1074195706.db2.gz UFFSIBJGFPTCSF-LJQANCHMSA-N 1 3 415.586 1.530 20 0 HDADHO COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)N2CCCCC2)cc1 ZINC000670527674 1075152495 /nfs/dbraw/zinc/15/24/95/1075152495.db2.gz WBRROWLNDZZMAA-ICSRJNTNSA-N 1 3 402.539 1.549 20 0 HDADHO COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)N2CCCCC2)cc1 ZINC000670527674 1075152497 /nfs/dbraw/zinc/15/24/97/1075152497.db2.gz WBRROWLNDZZMAA-ICSRJNTNSA-N 1 3 402.539 1.549 20 0 HDADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC1=O ZINC000675511683 1075191177 /nfs/dbraw/zinc/19/11/77/1075191177.db2.gz RIVYULWIYGOPLQ-IPMKNSEASA-N 1 3 414.550 1.675 20 0 HDADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC1=O ZINC000675511683 1075191179 /nfs/dbraw/zinc/19/11/79/1075191179.db2.gz RIVYULWIYGOPLQ-IPMKNSEASA-N 1 3 414.550 1.675 20 0 HDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000439218066 1075229692 /nfs/dbraw/zinc/22/96/92/1075229692.db2.gz UCWKDYXWKJBYLV-AWEZNQCLSA-N 1 3 410.588 1.649 20 0 HDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000439218066 1075229694 /nfs/dbraw/zinc/22/96/94/1075229694.db2.gz UCWKDYXWKJBYLV-AWEZNQCLSA-N 1 3 410.588 1.649 20 0 HDADHO CCOC(=O)C1CCN(C(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000611181032 1075868493 /nfs/dbraw/zinc/86/84/93/1075868493.db2.gz BBCJEIKVVPSNGS-UHFFFAOYSA-N 1 3 408.587 1.279 20 0 HDADHO CCOC(=O)N(C)C1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000727033795 1076029223 /nfs/dbraw/zinc/02/92/23/1076029223.db2.gz WRBYUAKKLALDNP-UHFFFAOYSA-N 1 3 409.575 1.807 20 0 HDADHO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000728024809 1076308797 /nfs/dbraw/zinc/30/87/97/1076308797.db2.gz CVEOEDAAKWBCJM-ONGAVZMUSA-N 1 3 408.612 1.919 20 0 HDADHO Cc1nc(N(C)C)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164711933 720170036 /nfs/dbraw/zinc/17/00/36/720170036.db2.gz DUZMLTUJVSMKSQ-KRWDZBQOSA-N 1 3 400.531 1.196 20 0 HDADHO CN1CCN(c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164980526 722129038 /nfs/dbraw/zinc/12/90/38/722129038.db2.gz RRCOPFNWPJSVFY-FGZHOGPDSA-N 1 3 422.577 1.956 20 0 HDADHO CN1CCN(c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164980526 722129042 /nfs/dbraw/zinc/12/90/42/722129042.db2.gz RRCOPFNWPJSVFY-FGZHOGPDSA-N 1 3 422.577 1.956 20 0 HDADHO c1cncc(CN2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3C2)c1 ZINC001164976027 722133987 /nfs/dbraw/zinc/13/39/87/722133987.db2.gz GKTXNGYALYDKGI-UNMCSNQZSA-N 1 3 408.550 1.614 20 0 HDADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000674882515 1074601061 /nfs/dbraw/zinc/60/10/61/1074601061.db2.gz OSUZSLJOWSGITC-QHCPKHFHSA-N 1 3 415.626 1.715 20 0 HDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093428 1075354286 /nfs/dbraw/zinc/35/42/86/1075354286.db2.gz JLBNBTSVLRMQJF-UHFFFAOYSA-N 1 3 422.480 1.252 20 0 HDADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000495385929 1076009006 /nfs/dbraw/zinc/00/90/06/1076009006.db2.gz QKZHWHYHKYFSGX-SJLPKXTDSA-N 1 3 407.559 1.951 20 0 HDADHO CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(N4CCCC4)[nH+]c(C)n3)C2)C1 ZINC001164717251 720218555 /nfs/dbraw/zinc/21/85/55/720218555.db2.gz HIYVJDHJWHZCLO-OAQYLSRUSA-N 1 3 402.543 1.050 20 0 HDADHO CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(N4CCCC4)nc(C)[nH+]3)C2)C1 ZINC001164717251 720218563 /nfs/dbraw/zinc/21/85/63/720218563.db2.gz HIYVJDHJWHZCLO-OAQYLSRUSA-N 1 3 402.543 1.050 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164865722 721114780 /nfs/dbraw/zinc/11/47/80/721114780.db2.gz OVMRUPYADWKQLL-PMACEKPBSA-N 1 3 409.538 1.279 20 0 HDADHO COc1cccc(COC[C@H](O)C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000543522532 1073992681 /nfs/dbraw/zinc/99/26/81/1073992681.db2.gz MJXSRMNDBZCLTM-OAQYLSRUSA-N 1 3 405.583 1.922 20 0 HDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000477053710 1074755513 /nfs/dbraw/zinc/75/55/13/1074755513.db2.gz ASEGGHDSPIYZEI-QGZVFWFLSA-N 1 3 404.555 1.106 20 0 HDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000477103205 1074801318 /nfs/dbraw/zinc/80/13/18/1074801318.db2.gz UYDWTBRPZBTUDH-ICSRJNTNSA-N 1 3 404.555 1.240 20 0 HDADHO CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675606092 1075222551 /nfs/dbraw/zinc/22/25/51/1075222551.db2.gz VACWVDOOIMCINU-JTHBVZDNSA-N 1 3 414.594 1.811 20 0 HDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435022264 1075229434 /nfs/dbraw/zinc/22/94/34/1075229434.db2.gz WMZBEUXPEDEERK-KRWDZBQOSA-N 1 3 419.570 2.319 20 0 HDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435022264 1075229437 /nfs/dbraw/zinc/22/94/37/1075229437.db2.gz WMZBEUXPEDEERK-KRWDZBQOSA-N 1 3 419.570 2.319 20 0 HDADHO CCOC(=O)Cc1csc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000051235968 1075267066 /nfs/dbraw/zinc/26/70/66/1075267066.db2.gz GZMVLOSEZYFNET-UHFFFAOYSA-N 1 3 409.556 1.929 20 0 HDADHO CC(C)[NH+]1CC[C@@H](CN=c2cc(NC[C@H]3CC[N@@H+](C(C)C)C3)n3[n-]cnc3n2)C1 ZINC000530528424 1076236629 /nfs/dbraw/zinc/23/66/29/1076236629.db2.gz QXQXTTUTAYTSRO-ZWKOTPCHSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@@H](CN=c2cc(NC[C@H]3CC[N@H+](C(C)C)C3)n3[n-]cnc3n2)C1 ZINC000530528424 1076236634 /nfs/dbraw/zinc/23/66/34/1076236634.db2.gz QXQXTTUTAYTSRO-ZWKOTPCHSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@H](CNc2cc(=NC[C@@H]3CC[N@@H+](C(C)C)C3)nc3nc[n-]n32)C1 ZINC000530528424 1076236637 /nfs/dbraw/zinc/23/66/37/1076236637.db2.gz QXQXTTUTAYTSRO-ZWKOTPCHSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@H](CNc2cc(=NC[C@@H]3CC[N@H+](C(C)C)C3)nc3nc[n-]n32)C1 ZINC000530528424 1076236639 /nfs/dbraw/zinc/23/66/39/1076236639.db2.gz QXQXTTUTAYTSRO-ZWKOTPCHSA-N 1 3 400.575 1.831 20 0 HDADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164880271 721149510 /nfs/dbraw/zinc/14/95/10/721149510.db2.gz VQMOHOPTEHQVKD-AZUAARDMSA-N 1 3 410.522 1.482 20 0 HDADHO c1cncc(CN2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3C2)c1 ZINC001164976025 722134091 /nfs/dbraw/zinc/13/40/91/722134091.db2.gz GKTXNGYALYDKGI-RBBKRZOGSA-N 1 3 408.550 1.614 20 0 HDADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000673775318 1073708278 /nfs/dbraw/zinc/70/82/78/1073708278.db2.gz BILLPMLCTFOEBQ-CTNGQTDRSA-N 1 3 415.582 1.880 20 0 HDADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000673775318 1073708290 /nfs/dbraw/zinc/70/82/90/1073708290.db2.gz BILLPMLCTFOEBQ-CTNGQTDRSA-N 1 3 415.582 1.880 20 0 HDADHO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)Nc1cnn(-c2ccncc2)c1 ZINC000673861258 1073829648 /nfs/dbraw/zinc/82/96/48/1073829648.db2.gz QNPWCMCWGOLUED-UHFFFAOYSA-N 1 3 421.509 1.781 20 0 HDADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000509187838 1073995550 /nfs/dbraw/zinc/99/55/50/1073995550.db2.gz YHBTWQLUMXLJJZ-RTBURBONSA-N 1 3 422.520 1.847 20 0 HDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000509187838 1073995555 /nfs/dbraw/zinc/99/55/55/1073995555.db2.gz YHBTWQLUMXLJJZ-RTBURBONSA-N 1 3 422.520 1.847 20 0 HDADHO O=C(NCC1(CN2CCOCC2)CCCCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000674404444 1074315369 /nfs/dbraw/zinc/31/53/69/1074315369.db2.gz PGXRURSFFKGGEV-PMACEKPBSA-N 1 3 408.587 1.510 20 0 HDADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000732246127 1075679831 /nfs/dbraw/zinc/67/98/31/1075679831.db2.gz NKWPDRZEVUYMBQ-PZJWPPBQSA-N 1 3 402.539 1.824 20 0 HDADHO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N(C)Cc1ccccc1 ZINC000426928747 1075755584 /nfs/dbraw/zinc/75/55/84/1075755584.db2.gz KHKYFOJUMISGMY-QGZVFWFLSA-N 1 3 412.538 1.725 20 0 HDADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H](CN3CCCC3)c3ccccc3)n2)CC1 ZINC000427109983 1075780725 /nfs/dbraw/zinc/78/07/25/1075780725.db2.gz JSTWUHAHXDYECZ-HXUWFJFHSA-N 1 3 424.549 2.042 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)CC2)CC1 ZINC000727801145 1076258684 /nfs/dbraw/zinc/25/86/84/1076258684.db2.gz FBGLLJYCUMZLSU-INIZCTEOSA-N 1 3 420.476 1.825 20 0 HDADHO NC(=O)COc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000731040776 1076716762 /nfs/dbraw/zinc/71/67/62/1076716762.db2.gz AKVXIVQHSFVRBW-FQEVSTJZSA-N 1 3 410.518 1.538 20 0 HDADHO NC(=O)COc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000731040776 1076716769 /nfs/dbraw/zinc/71/67/69/1076716769.db2.gz AKVXIVQHSFVRBW-FQEVSTJZSA-N 1 3 410.518 1.538 20 0 HDADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164880277 721148643 /nfs/dbraw/zinc/14/86/43/721148643.db2.gz VQMOHOPTEHQVKD-QUCCMNQESA-N 1 3 410.522 1.482 20 0 HDADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164762847 721228988 /nfs/dbraw/zinc/22/89/88/721228988.db2.gz LLCATDZFSUATQK-VQTJNVASSA-N 1 3 411.554 1.547 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164904684 721544737 /nfs/dbraw/zinc/54/47/37/721544737.db2.gz FZFJUAFDAJMPOQ-QUCCMNQESA-N 1 3 412.513 1.885 20 0 HDADHO [NH3+]C1CCN(c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978056 722130799 /nfs/dbraw/zinc/13/07/99/722130799.db2.gz JKLVGYDNZKTHPH-PZJWPPBQSA-N 1 3 423.565 1.526 20 0 HDADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000673775323 1073708498 /nfs/dbraw/zinc/70/84/98/1073708498.db2.gz BILLPMLCTFOEBQ-TZIWHRDSSA-N 1 3 415.582 1.880 20 0 HDADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000673775323 1073708503 /nfs/dbraw/zinc/70/85/03/1073708503.db2.gz BILLPMLCTFOEBQ-TZIWHRDSSA-N 1 3 415.582 1.880 20 0 HDADHO CCN1CCN(Cc2ccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)cc2)CC1 ZINC000673865825 1073844504 /nfs/dbraw/zinc/84/45/04/1073844504.db2.gz QAXRYKXWOBRYDB-UHFFFAOYSA-N 1 3 413.570 1.904 20 0 HDADHO CN(C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675606091 1075222642 /nfs/dbraw/zinc/22/26/42/1075222642.db2.gz VACWVDOOIMCINU-GMAHTHKFSA-N 1 3 414.594 1.811 20 0 HDADHO COC(=O)COc1c(C)cc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000731453919 1075363265 /nfs/dbraw/zinc/36/32/65/1075363265.db2.gz ULMSCLYVGUDJJJ-UHFFFAOYSA-N 1 3 405.539 1.888 20 0 HDADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1Cc1ccccc1 ZINC000495373711 1076009020 /nfs/dbraw/zinc/00/90/20/1076009020.db2.gz HNSZSEGOEPHUDP-GHTZIAJQSA-N 1 3 415.582 1.891 20 0 HDADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000733890351 1076251876 /nfs/dbraw/zinc/25/18/76/1076251876.db2.gz CGCSSFPCQJBTKV-GOSISDBHSA-N 1 3 402.539 1.186 20 0 HDADHO c1cncc(CN2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164977259 722105737 /nfs/dbraw/zinc/10/57/37/722105737.db2.gz FLUQSCKJUNPYKE-UXHICEINSA-N 1 3 409.538 1.009 20 0 HDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477101280 1074798941 /nfs/dbraw/zinc/79/89/41/1074798941.db2.gz QDIKEFYTWKXXCL-FHWLQOOXSA-N 1 3 410.603 1.571 20 0 HDADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC1=O ZINC000675511684 1075191183 /nfs/dbraw/zinc/19/11/83/1075191183.db2.gz RIVYULWIYGOPLQ-OTWHNJEPSA-N 1 3 414.550 1.675 20 0 HDADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC1=O ZINC000675511684 1075191184 /nfs/dbraw/zinc/19/11/84/1075191184.db2.gz RIVYULWIYGOPLQ-OTWHNJEPSA-N 1 3 414.550 1.675 20 0 HDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676344751 1075518276 /nfs/dbraw/zinc/51/82/76/1075518276.db2.gz SHOTWGNDXWKEIN-JOCHJYFZSA-N 1 3 400.567 1.958 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000509418842 1075575611 /nfs/dbraw/zinc/57/56/11/1075575611.db2.gz SWEAPUILJVGXMO-UHFFFAOYSA-N 1 3 403.571 1.704 20 0 HDADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000509418842 1075575615 /nfs/dbraw/zinc/57/56/15/1075575615.db2.gz SWEAPUILJVGXMO-UHFFFAOYSA-N 1 3 403.571 1.704 20 0 HDADHO CC[NH+](CC)CCOC1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000466736163 1075594217 /nfs/dbraw/zinc/59/42/17/1075594217.db2.gz UDPHBHWWUWCQJN-QGZVFWFLSA-N 1 3 403.523 1.466 20 0 HDADHO CS[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C[C@H]1[NH+](C)C ZINC000611217177 1075878234 /nfs/dbraw/zinc/87/82/34/1075878234.db2.gz VFJKOZZFLXJUGO-RTBURBONSA-N 1 3 414.579 1.681 20 0 HDADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1Cc1ccccc1 ZINC000495373712 1076009103 /nfs/dbraw/zinc/00/91/03/1076009103.db2.gz HNSZSEGOEPHUDP-NQIIRXRSSA-N 1 3 415.582 1.891 20 0 HDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)[NH+](C)C ZINC000727612621 1076182826 /nfs/dbraw/zinc/18/28/26/1076182826.db2.gz OPIMMIXPRRBNBO-KRWDZBQOSA-N 1 3 417.554 1.896 20 0 HDADHO CC(C)[NH+]1CC[C@@H](CN=c2cc(NC[C@@H]3CC[N@@H+](C(C)C)C3)n3[n-]cnc3n2)C1 ZINC000530528423 1076236582 /nfs/dbraw/zinc/23/65/82/1076236582.db2.gz QXQXTTUTAYTSRO-ROUUACIJSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@@H](CN=c2cc(NC[C@@H]3CC[N@H+](C(C)C)C3)n3[n-]cnc3n2)C1 ZINC000530528423 1076236585 /nfs/dbraw/zinc/23/65/85/1076236585.db2.gz QXQXTTUTAYTSRO-ROUUACIJSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@@H](CNc2cc(=NC[C@@H]3CC[N@@H+](C(C)C)C3)nc3nc[n-]n32)C1 ZINC000530528423 1076236591 /nfs/dbraw/zinc/23/65/91/1076236591.db2.gz QXQXTTUTAYTSRO-ROUUACIJSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@@H](CNc2cc(=NC[C@@H]3CC[N@H+](C(C)C)C3)nc3nc[n-]n32)C1 ZINC000530528423 1076236594 /nfs/dbraw/zinc/23/65/94/1076236594.db2.gz QXQXTTUTAYTSRO-ROUUACIJSA-N 1 3 400.575 1.831 20 0 HDADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000730921393 1076693856 /nfs/dbraw/zinc/69/38/56/1076693856.db2.gz SLGURBUUFXWIAY-NRFANRHFSA-N 1 3 413.566 1.854 20 0 HDADHO CN1CCC(NC(=S)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000730949324 1076700018 /nfs/dbraw/zinc/70/00/18/1076700018.db2.gz COOQTTMYAWPURV-SFHVURJKSA-N 1 3 403.596 1.442 20 0 HDADHO CN1CCC(NC(=S)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000730949324 1076700024 /nfs/dbraw/zinc/70/00/24/1076700024.db2.gz COOQTTMYAWPURV-SFHVURJKSA-N 1 3 403.596 1.442 20 0 HDADHO c1cncc(CN2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164977258 722105584 /nfs/dbraw/zinc/10/55/84/722105584.db2.gz FLUQSCKJUNPYKE-PMACEKPBSA-N 1 3 409.538 1.009 20 0 HDADHO CN1CCN(c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164980525 722129202 /nfs/dbraw/zinc/12/92/02/722129202.db2.gz RRCOPFNWPJSVFY-FCHUYYIVSA-N 1 3 422.577 1.956 20 0 HDADHO CN1CCN(c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164980525 722129204 /nfs/dbraw/zinc/12/92/04/722129204.db2.gz RRCOPFNWPJSVFY-FCHUYYIVSA-N 1 3 422.577 1.956 20 0 HDADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000509187836 1073995499 /nfs/dbraw/zinc/99/54/99/1073995499.db2.gz YHBTWQLUMXLJJZ-RBUKOAKNSA-N 1 3 422.520 1.847 20 0 HDADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000509187836 1073995501 /nfs/dbraw/zinc/99/55/01/1073995501.db2.gz YHBTWQLUMXLJJZ-RBUKOAKNSA-N 1 3 422.520 1.847 20 0 HDADHO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000676128853 1075388790 /nfs/dbraw/zinc/38/87/90/1075388790.db2.gz FPIOQARTKGUCPP-QUCCMNQESA-N 1 3 400.527 1.449 20 0 HDADHO CC[C@H](C)n1nc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1C ZINC000439218682 1075488726 /nfs/dbraw/zinc/48/87/26/1075488726.db2.gz WQEWJTHIGDYACV-FUHWJXTLSA-N 1 3 406.575 1.976 20 0 HDADHO CC[C@H](C)n1nc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1C ZINC000439218682 1075488729 /nfs/dbraw/zinc/48/87/29/1075488729.db2.gz WQEWJTHIGDYACV-FUHWJXTLSA-N 1 3 406.575 1.976 20 0 HDADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676719504 1075655059 /nfs/dbraw/zinc/65/50/59/1075655059.db2.gz HECUVPFJUQDYRR-HXUWFJFHSA-N 1 3 400.567 1.956 20 0 HDADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000676719504 1075655061 /nfs/dbraw/zinc/65/50/61/1075655061.db2.gz HECUVPFJUQDYRR-HXUWFJFHSA-N 1 3 400.567 1.956 20 0 HDADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000732246125 1075679790 /nfs/dbraw/zinc/67/97/90/1075679790.db2.gz NKWPDRZEVUYMBQ-CTNGQTDRSA-N 1 3 402.539 1.824 20 0 HDADHO C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000495367289 1076006648 /nfs/dbraw/zinc/00/66/48/1076006648.db2.gz BBNHJDPGJLCIHX-DYESRHJHSA-N 1 3 403.571 1.920 20 0 HDADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000495385928 1076009111 /nfs/dbraw/zinc/00/91/11/1076009111.db2.gz QKZHWHYHKYFSGX-FUHWJXTLSA-N 1 3 407.559 1.951 20 0 HDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)[NH+](C)C ZINC000727612625 1076182868 /nfs/dbraw/zinc/18/28/68/1076182868.db2.gz OPIMMIXPRRBNBO-QGZVFWFLSA-N 1 3 417.554 1.896 20 0 HDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000730124549 1076465356 /nfs/dbraw/zinc/46/53/56/1076465356.db2.gz BFUPSKIIZCYNBE-QGZVFWFLSA-N 1 3 409.575 1.854 20 0 HDADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164785757 721463147 /nfs/dbraw/zinc/46/31/47/721463147.db2.gz NIGCNFRWCGHRAM-FQEVSTJZSA-N 1 3 415.582 1.856 20 0 HDADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164785757 721463149 /nfs/dbraw/zinc/46/31/49/721463149.db2.gz NIGCNFRWCGHRAM-FQEVSTJZSA-N 1 3 415.582 1.856 20 0 HDADHO c1cc(CN2CCOCC3(CCN(c4cncc(N5CC[NH2+]CC5)n4)CC3)C2)ccn1 ZINC001164963999 722056656 /nfs/dbraw/zinc/05/66/56/722056656.db2.gz QPQQICKHTVVJAG-UHFFFAOYSA-N 1 3 423.565 1.400 20 0 HDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000477103207 1074801044 /nfs/dbraw/zinc/80/10/44/1074801044.db2.gz UYDWTBRPZBTUDH-QUCCMNQESA-N 1 3 404.555 1.240 20 0 HDADHO Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474379 1075361211 /nfs/dbraw/zinc/36/12/11/1075361211.db2.gz PJGWMWAFEQXDRI-MSOLQXFVSA-N 1 3 410.522 1.157 20 0 HDADHO Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731474379 1075361217 /nfs/dbraw/zinc/36/12/17/1075361217.db2.gz PJGWMWAFEQXDRI-MSOLQXFVSA-N 1 3 410.522 1.157 20 0 HDADHO CN(CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188915 1075654520 /nfs/dbraw/zinc/65/45/20/1075654520.db2.gz OKPJMEKBNMIUAP-NZQKXSOJSA-N 1 3 411.550 1.699 20 0 HDADHO CN(CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732188915 1075654524 /nfs/dbraw/zinc/65/45/24/1075654524.db2.gz OKPJMEKBNMIUAP-NZQKXSOJSA-N 1 3 411.550 1.699 20 0 HDADHO CCOC(=O)COc1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000611211209 1075874849 /nfs/dbraw/zinc/87/48/49/1075874849.db2.gz UDRWKOYTMMDVGQ-KNQAVFIVSA-N 1 3 419.566 1.965 20 0 HDADHO CCOC(=O)COc1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000611211209 1075874850 /nfs/dbraw/zinc/87/48/50/1075874850.db2.gz UDRWKOYTMMDVGQ-KNQAVFIVSA-N 1 3 419.566 1.965 20 0 HDADHO Cc1cn(C)c(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000495127392 1076005759 /nfs/dbraw/zinc/00/57/59/1076005759.db2.gz JCAVXVRMMLHNHH-IRXDYDNUSA-N 1 3 413.566 1.195 20 0 HDADHO Cc1cn(C)c(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000495127392 1076005764 /nfs/dbraw/zinc/00/57/64/1076005764.db2.gz JCAVXVRMMLHNHH-IRXDYDNUSA-N 1 3 413.566 1.195 20 0 HDADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC000495344352 1076006711 /nfs/dbraw/zinc/00/67/11/1076006711.db2.gz WQECOBHVUDJMBW-LJQANCHMSA-N 1 3 407.534 1.670 20 0 HDADHO CC(C)[NH+]1CC[C@H](CN=c2cc(NC[C@H]3CC[N@@H+](C(C)C)C3)n3[n-]cnc3n2)C1 ZINC000530528422 1076236500 /nfs/dbraw/zinc/23/65/00/1076236500.db2.gz QXQXTTUTAYTSRO-QZTJIDSGSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@H](CN=c2cc(NC[C@H]3CC[N@H+](C(C)C)C3)n3[n-]cnc3n2)C1 ZINC000530528422 1076236504 /nfs/dbraw/zinc/23/65/04/1076236504.db2.gz QXQXTTUTAYTSRO-QZTJIDSGSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@H](CNc2cc(=NC[C@H]3CC[N@@H+](C(C)C)C3)nc3nc[n-]n32)C1 ZINC000530528422 1076236511 /nfs/dbraw/zinc/23/65/11/1076236511.db2.gz QXQXTTUTAYTSRO-QZTJIDSGSA-N 1 3 400.575 1.831 20 0 HDADHO CC(C)[NH+]1CC[C@H](CNc2cc(=NC[C@H]3CC[N@H+](C(C)C)C3)nc3nc[n-]n32)C1 ZINC000530528422 1076236516 /nfs/dbraw/zinc/23/65/16/1076236516.db2.gz QXQXTTUTAYTSRO-QZTJIDSGSA-N 1 3 400.575 1.831 20 0 HDADHO