smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001168322454 1087293549 /nfs/dbraw/zinc/29/35/49/1087293549.db2.gz BWPAEAYJOPBKSX-XBMUEBEBSA-N 2 3 307.526 3.200 20 0 DGADHP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001168322454 1087293554 /nfs/dbraw/zinc/29/35/54/1087293554.db2.gz BWPAEAYJOPBKSX-XBMUEBEBSA-N 2 3 307.526 3.200 20 0 DGADHP Cc1ccccc1C[N@H+](C[C@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554758 1099677617 /nfs/dbraw/zinc/67/76/17/1099677617.db2.gz UPDQBHMDIPWELA-IHPCNDPISA-N 2 3 315.505 3.067 20 0 DGADHP Cc1ccccc1C[N@@H+](C[C@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554758 1099677623 /nfs/dbraw/zinc/67/76/23/1099677623.db2.gz UPDQBHMDIPWELA-IHPCNDPISA-N 2 3 315.505 3.067 20 0 DGADHP CC(C)[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246251229 1104459110 /nfs/dbraw/zinc/45/91/10/1104459110.db2.gz ODYKRKSADLQMFG-HSALFYBXSA-N 2 3 315.505 3.094 20 0 DGADHP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246369294 1104513781 /nfs/dbraw/zinc/51/37/81/1104513781.db2.gz ZLKZCWOLUZDSGM-QZTJIDSGSA-N 2 3 309.542 3.255 20 0 DGADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CCN1 ZINC001246424182 1104536004 /nfs/dbraw/zinc/53/60/04/1104536004.db2.gz PPMXBZUCGYPUPS-MSOLQXFVSA-N 2 3 321.553 3.303 20 0 DGADHP CCCC[C@H]1C[C@H]([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CCN1 ZINC001246425021 1104536217 /nfs/dbraw/zinc/53/62/17/1104536217.db2.gz VHNYFMGSORQLRP-RBUKOAKNSA-N 2 3 321.553 3.447 20 0 DGADHP C(C1CCC1)C1([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCNCC1 ZINC001246446013 1104541558 /nfs/dbraw/zinc/54/15/58/1104541558.db2.gz JPXGTRGPFYVGCX-UHFFFAOYSA-N 2 3 319.537 3.201 20 0 DGADHP C1CN([C@H]2CC[NH2+]C3(CCCCC3)C2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246609141 1104623835 /nfs/dbraw/zinc/62/38/35/1104623835.db2.gz XMPJODQESBCZMF-HKUYNNGSSA-N 2 3 305.510 3.049 20 0 DGADHP C1CCC2(CC1)C[C@H]([N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1)CCN2 ZINC001246661077 1104653443 /nfs/dbraw/zinc/65/34/43/1104653443.db2.gz TXAFYRRPMXYCQP-MOPGFXCFSA-N 2 3 319.537 3.295 20 0 DGADHP C1CCC2(CC1)C[C@H]([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)CCN2 ZINC001246661077 1104653448 /nfs/dbraw/zinc/65/34/48/1104653448.db2.gz TXAFYRRPMXYCQP-MOPGFXCFSA-N 2 3 319.537 3.295 20 0 DGADHP CCCC[C@@H]1C[C@@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246797584 1104680556 /nfs/dbraw/zinc/68/05/56/1104680556.db2.gz URMMTADPCSQNHK-MOPGFXCFSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@@H]1C[C@@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246797584 1104680561 /nfs/dbraw/zinc/68/05/61/1104680561.db2.gz URMMTADPCSQNHK-MOPGFXCFSA-N 2 3 307.526 3.009 20 0 DGADHP CC(C)[C@H]1C[C@H]([N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246962224 1104752638 /nfs/dbraw/zinc/75/26/38/1104752638.db2.gz AXTQZABUPGSQRR-NCXUSEDFSA-N 2 3 307.526 3.135 20 0 DGADHP CC(C)[C@H]1C[C@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246962224 1104752641 /nfs/dbraw/zinc/75/26/41/1104752641.db2.gz AXTQZABUPGSQRR-NCXUSEDFSA-N 2 3 307.526 3.135 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCC2)[C@H]2CCNC3(CCC3)C2)CC1 ZINC001246964018 1104753996 /nfs/dbraw/zinc/75/39/96/1104753996.db2.gz JPONTUFHYRQASC-BZSNNMDCSA-N 2 3 305.510 3.033 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@H]2CCNC3(CCC3)C2)CC1 ZINC001246964018 1104754002 /nfs/dbraw/zinc/75/40/02/1104754002.db2.gz JPONTUFHYRQASC-BZSNNMDCSA-N 2 3 305.510 3.033 20 0 DGADHP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)c1 ZINC001246974748 1104757712 /nfs/dbraw/zinc/75/77/12/1104757712.db2.gz RSCKUPOKMDCLJE-AFYVEPGGSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)c1 ZINC001246974748 1104757718 /nfs/dbraw/zinc/75/77/18/1104757718.db2.gz RSCKUPOKMDCLJE-AFYVEPGGSA-N 2 3 315.505 3.207 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)C1 ZINC000356779770 285485715 /nfs/dbraw/zinc/48/57/15/285485715.db2.gz PCAMSZJCILSTGR-HKUYNNGSSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635006741 401401154 /nfs/dbraw/zinc/40/11/54/401401154.db2.gz NDEQQFITDGQTFB-YWTNHNAXSA-N 2 3 307.526 3.137 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)CC1 ZINC000422964369 278536815 /nfs/dbraw/zinc/53/68/15/278536815.db2.gz ILWXUVPPQQQGRR-UGXKVIGPSA-N 2 3 307.526 3.137 20 0 DGADHP CC1CC[NH+](Cc2ccccc2CN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422969619 281826539 /nfs/dbraw/zinc/82/65/39/281826539.db2.gz UXAITECAZCNFDD-XLIONFOSSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCC[N@H+](C)C3CC3)CC2)C1 ZINC000453388623 433145234 /nfs/dbraw/zinc/14/52/34/433145234.db2.gz BTIHTSJLOVTFHW-XLIONFOSSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)C1 ZINC000453388623 433145246 /nfs/dbraw/zinc/14/52/46/433145246.db2.gz BTIHTSJLOVTFHW-XLIONFOSSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(C)CC[NH2+]CC3)CC2)C1 ZINC000414906462 433910611 /nfs/dbraw/zinc/91/06/11/433910611.db2.gz PTCQZZGKTKAVIB-AEFFLSMTSA-N 2 3 307.526 3.009 20 0 DGADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796756 434011416 /nfs/dbraw/zinc/01/14/16/434011416.db2.gz YYTRHOWZLIDUOG-UXHICEINSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422802916 434017992 /nfs/dbraw/zinc/01/79/92/434017992.db2.gz HXFPRGCNNRLPPG-IAGOWNOFSA-N 2 3 303.494 3.134 20 0 DGADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823716 434030577 /nfs/dbraw/zinc/03/05/77/434030577.db2.gz DZQXFSPZGMMHMT-WMZOPIPTSA-N 2 3 321.534 3.067 20 0 DGADHP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422781177 433993965 /nfs/dbraw/zinc/99/39/65/433993965.db2.gz DXRKBECFMQGKHA-RBUKOAKNSA-N 2 3 303.494 3.278 20 0 DGADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)C1 ZINC000422877375 434073441 /nfs/dbraw/zinc/07/34/41/434073441.db2.gz HWWHOUWOYNFIHW-GJJHYRHESA-N 2 3 315.505 3.134 20 0 DGADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)C1 ZINC000422877375 434073447 /nfs/dbraw/zinc/07/34/47/434073447.db2.gz HWWHOUWOYNFIHW-GJJHYRHESA-N 2 3 315.505 3.134 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422890342 434088608 /nfs/dbraw/zinc/08/86/08/434088608.db2.gz IEBNYYOETWEPEK-XWTMOSNGSA-N 2 3 317.521 3.380 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422890342 434088616 /nfs/dbraw/zinc/08/86/16/434088616.db2.gz IEBNYYOETWEPEK-XWTMOSNGSA-N 2 3 317.521 3.380 20 0 DGADHP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422969620 434141820 /nfs/dbraw/zinc/14/18/20/434141820.db2.gz UXAITECAZCNFDD-YLJYHZDGSA-N 2 3 315.505 3.136 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000423208382 434284625 /nfs/dbraw/zinc/28/46/25/434284625.db2.gz HTWBJZGZJPESAF-XEVCZEQESA-N 2 3 315.505 3.019 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000423208382 434284636 /nfs/dbraw/zinc/28/46/36/434284636.db2.gz HTWBJZGZJPESAF-XEVCZEQESA-N 2 3 315.505 3.019 20 0 DGADHP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000423319501 434360357 /nfs/dbraw/zinc/36/03/57/434360357.db2.gz FNWITRXTWUXLNR-HSALFYBXSA-N 2 3 315.505 3.006 20 0 DGADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422790252 295271134 /nfs/dbraw/zinc/27/11/34/295271134.db2.gz XLWXODSGEAFCCT-UXHICEINSA-N 2 3 315.505 3.280 20 0 DGADHP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000573250095 434883903 /nfs/dbraw/zinc/88/39/03/434883903.db2.gz YQKCMFGFJQHNBU-PMACEKPBSA-N 2 3 309.457 3.070 20 0 DGADHP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000573250095 434883908 /nfs/dbraw/zinc/88/39/08/434883908.db2.gz YQKCMFGFJQHNBU-PMACEKPBSA-N 2 3 309.457 3.070 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568901073 435481264 /nfs/dbraw/zinc/48/12/64/435481264.db2.gz LNONUTCCJBHSFJ-AHRSYUTCSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568901073 435481270 /nfs/dbraw/zinc/48/12/70/435481270.db2.gz LNONUTCCJBHSFJ-AHRSYUTCSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656193060 435908889 /nfs/dbraw/zinc/90/88/89/435908889.db2.gz LAYGVFMGNNFXCP-NSISKUIASA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656193060 435908893 /nfs/dbraw/zinc/90/88/93/435908893.db2.gz LAYGVFMGNNFXCP-NSISKUIASA-N 2 3 315.505 3.421 20 0 DGADHP CC(C)[C@H](N)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000665281481 435938642 /nfs/dbraw/zinc/93/86/42/435938642.db2.gz DTGYXVXIPZRXBR-SOAGJPPSSA-N 2 3 317.521 3.393 20 0 DGADHP CC(C)[C@H](N)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000665281481 435938645 /nfs/dbraw/zinc/93/86/45/435938645.db2.gz DTGYXVXIPZRXBR-SOAGJPPSSA-N 2 3 317.521 3.393 20 0 DGADHP CC(C)(C)CC(C)(C)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650748587 436017537 /nfs/dbraw/zinc/01/75/37/436017537.db2.gz XOFMUWUBSGKADW-UHFFFAOYSA-N 2 3 309.542 3.384 20 0 DGADHP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC2(C[NH3+])CC2)CC1 ZINC000650748587 436017541 /nfs/dbraw/zinc/01/75/41/436017541.db2.gz XOFMUWUBSGKADW-UHFFFAOYSA-N 2 3 309.542 3.384 20 0 DGADHP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584665343 337380144 /nfs/dbraw/zinc/38/01/44/337380144.db2.gz JAZWGVBEBUOTGG-PPLKHSGQSA-N 2 3 315.505 3.003 20 0 DGADHP CCCN1CCC([NH2+]Cc2ccccc2C[NH+](CC)CC)CC1 ZINC000120701321 545889858 /nfs/dbraw/zinc/88/98/58/545889858.db2.gz VMZAOEVDCQIVBG-UHFFFAOYSA-N 2 3 317.521 3.492 20 0 DGADHP CN1CCC[C@@H]1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678073245 548607678 /nfs/dbraw/zinc/60/76/78/548607678.db2.gz OIWYXSSZKGIDHD-LJQANCHMSA-N 2 3 307.526 3.059 20 0 DGADHP C(CN1CCCCC1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682028064 549277652 /nfs/dbraw/zinc/27/76/52/549277652.db2.gz XTLKOCYUMYTCNI-UHFFFAOYSA-N 2 3 321.553 3.450 20 0 DGADHP [NH3+][C@H]1C[C@H](NCCCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000925806597 618624049 /nfs/dbraw/zinc/62/40/49/618624049.db2.gz FXKGQBPIWQWWEV-OALUTQOASA-N 2 3 301.478 3.281 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CNCC2(C)C)CC1 ZINC000902444444 619637068 /nfs/dbraw/zinc/63/70/68/619637068.db2.gz NQYCGILXHRDZLL-CTWPCTMYSA-N 2 3 315.505 3.017 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CNCC2(C)C)CC1 ZINC000902444444 619637069 /nfs/dbraw/zinc/63/70/69/619637069.db2.gz NQYCGILXHRDZLL-CTWPCTMYSA-N 2 3 315.505 3.017 20 0 DGADHP C(CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC[NH+]1CCCCC1 ZINC000925488378 627741798 /nfs/dbraw/zinc/74/17/98/627741798.db2.gz SSSUHWNLUCNSBL-UXHICEINSA-N 2 3 321.553 3.401 20 0 DGADHP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925723784 627782321 /nfs/dbraw/zinc/78/23/21/627782321.db2.gz YLIZHXVVAXBDLU-PMACEKPBSA-N 2 3 321.553 3.255 20 0 DGADHP CC(C)(C)N1CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925816190 627799892 /nfs/dbraw/zinc/79/98/92/627799892.db2.gz GUNUCWMPSICGKM-UHFFFAOYSA-N 2 3 309.542 3.399 20 0 DGADHP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCN(Cc2ccccc2)C1 ZINC000309724467 656045278 /nfs/dbraw/zinc/04/52/78/656045278.db2.gz NBRIFSXSZUWYFC-XUVXKRRUSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001576747737 1191867563 /nfs/dbraw/zinc/86/75/63/1191867563.db2.gz CZZYNZHRUDXJLR-MBOZVWFJSA-N 2 3 315.505 3.149 20 0 DGADHP C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012422 1086242255 /nfs/dbraw/zinc/24/22/55/1086242255.db2.gz ZUIOQEKUVHDEIA-ZAWLATJESA-N 2 3 315.505 3.288 20 0 DGADHP Cc1ccc(C[N@H+](C[C@@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713419 1099753041 /nfs/dbraw/zinc/75/30/41/1099753041.db2.gz CDHMRAUCNXLHFP-VAMGGRTRSA-N 2 3 315.505 3.067 20 0 DGADHP Cc1ccc(C[N@@H+](C[C@@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713419 1099753051 /nfs/dbraw/zinc/75/30/51/1099753051.db2.gz CDHMRAUCNXLHFP-VAMGGRTRSA-N 2 3 315.505 3.067 20 0 DGADHP COc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1CN1CCCCC1 ZINC001327839501 1103740437 /nfs/dbraw/zinc/74/04/37/1103740437.db2.gz ITDMMUXUDDTIDI-INIZCTEOSA-N 2 3 319.493 3.071 20 0 DGADHP C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246169488 1104417769 /nfs/dbraw/zinc/41/77/69/1104417769.db2.gz IUQUCSQAEWPKGI-ROUUACIJSA-N 2 3 321.553 3.256 20 0 DGADHP CC(C)[C@@H]1C[C@@H](N[C@@H](c2ccccc2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246251233 1104458583 /nfs/dbraw/zinc/45/85/83/1104458583.db2.gz ODYKRKSADLQMFG-UFYCRDLUSA-N 2 3 315.505 3.094 20 0 DGADHP C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246331406 1104494035 /nfs/dbraw/zinc/49/40/35/1104494035.db2.gz BGPYBINFWFDCJC-KKXNLOMOSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246331406 1104494038 /nfs/dbraw/zinc/49/40/38/1104494038.db2.gz BGPYBINFWFDCJC-KKXNLOMOSA-N 2 3 315.505 3.006 20 0 DGADHP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246366676 1104511517 /nfs/dbraw/zinc/51/15/17/1104511517.db2.gz PMBLYHMIGABKCU-VQTJNVASSA-N 2 3 321.553 3.399 20 0 DGADHP CC(C)[N@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCCNCC1 ZINC001246593434 1104613008 /nfs/dbraw/zinc/61/30/08/1104613008.db2.gz NCSQQDMQOOZYTR-QGZVFWFLSA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCCNCC1 ZINC001246593434 1104613012 /nfs/dbraw/zinc/61/30/12/1104613012.db2.gz NCSQQDMQOOZYTR-QGZVFWFLSA-N 2 3 307.526 3.151 20 0 DGADHP CCCC[C@@H]1C[C@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246660098 1104652721 /nfs/dbraw/zinc/65/27/21/1104652721.db2.gz CJJOKQUYDGSKIA-GUDVDZBRSA-N 2 3 307.526 3.151 20 0 DGADHP CN1C(C)(C)CC([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678460 1104658968 /nfs/dbraw/zinc/65/89/68/1104658968.db2.gz NUAIIOINZJRRML-IRXDYDNUSA-N 2 3 321.553 3.349 20 0 DGADHP CN1C(C)(C)CC([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678460 1104658970 /nfs/dbraw/zinc/65/89/70/1104658970.db2.gz NUAIIOINZJRRML-IRXDYDNUSA-N 2 3 321.553 3.349 20 0 DGADHP CCCC[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)CCN1 ZINC001246779493 1104669058 /nfs/dbraw/zinc/66/90/58/1104669058.db2.gz IEKVVFBKEPUDDU-MOPGFXCFSA-N 2 3 309.542 3.349 20 0 DGADHP CCCC[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CCN1 ZINC001246779493 1104669063 /nfs/dbraw/zinc/66/90/63/1104669063.db2.gz IEKVVFBKEPUDDU-MOPGFXCFSA-N 2 3 309.542 3.349 20 0 DGADHP CN1C(C)(C)CC([NH+]2CCC(C3CC[NH2+]CC3)CC2)CC1(C)C ZINC001246799488 1104681318 /nfs/dbraw/zinc/68/13/18/1104681318.db2.gz ZPOYEJQEFIYRHV-UHFFFAOYSA-N 2 3 321.553 3.349 20 0 DGADHP CC[NH+]1CCC(CC2CC[NH+](C3C[C@@H](C)N[C@H](C)C3)CC2)CC1 ZINC001246900284 1104729078 /nfs/dbraw/zinc/72/90/78/1104729078.db2.gz HLJPCIJEOGGRRN-IAGOWNOFSA-N 2 3 321.553 3.349 20 0 DGADHP CCN(CC)CC[C@H](C)[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246971658 1104756253 /nfs/dbraw/zinc/75/62/53/1104756253.db2.gz WQEMSPONZQWPMY-WDSOQIARSA-N 2 3 309.542 3.479 20 0 DGADHP CCN(CC)CC[C@H](C)[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246971658 1104756257 /nfs/dbraw/zinc/75/62/57/1104756257.db2.gz WQEMSPONZQWPMY-WDSOQIARSA-N 2 3 309.542 3.479 20 0 DGADHP CCCC[C@@H]1C[C@H](N2CCC(CC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246979029 1104760041 /nfs/dbraw/zinc/76/00/41/1104760041.db2.gz LCZOAVHILNFPHJ-WOJBJXKFSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000415011555 237001185 /nfs/dbraw/zinc/00/11/85/237001185.db2.gz WDCBSLZFCQHONC-MTNOOBJLSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000635004321 401399676 /nfs/dbraw/zinc/39/96/76/401399676.db2.gz CXIFZLXYEHJHBZ-MTNOOBJLSA-N 2 3 307.526 3.137 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422910224 279384069 /nfs/dbraw/zinc/38/40/69/279384069.db2.gz HQDSYWKQDKEDMI-OALUTQOASA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422910224 279384071 /nfs/dbraw/zinc/38/40/71/279384071.db2.gz HQDSYWKQDKEDMI-OALUTQOASA-N 2 3 303.494 3.134 20 0 DGADHP C[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)CN(C)C ZINC000293712029 433838872 /nfs/dbraw/zinc/83/88/72/433838872.db2.gz OYBHCKMJOBGSTR-KKXNLOMOSA-N 2 3 317.521 3.217 20 0 DGADHP C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)CN(C)C ZINC000293712029 433838882 /nfs/dbraw/zinc/83/88/82/433838882.db2.gz OYBHCKMJOBGSTR-KKXNLOMOSA-N 2 3 317.521 3.217 20 0 DGADHP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422781176 433992431 /nfs/dbraw/zinc/99/24/31/433992431.db2.gz DXRKBECFMQGKHA-OALUTQOASA-N 2 3 303.494 3.278 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422886767 434081361 /nfs/dbraw/zinc/08/13/61/434081361.db2.gz XNPWZEKXYUJFEH-MBOZVWFJSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422886767 434081368 /nfs/dbraw/zinc/08/13/68/434081368.db2.gz XNPWZEKXYUJFEH-MBOZVWFJSA-N 2 3 315.505 3.278 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCNCC[C@H]3C)CC2)CC1 ZINC000422959835 434140123 /nfs/dbraw/zinc/14/01/23/434140123.db2.gz ABEHNHRSOKJEMS-LWSMDNFKSA-N 2 3 307.526 3.007 20 0 DGADHP C[NH+]1CCC(C)(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000378548102 434217531 /nfs/dbraw/zinc/21/75/31/434217531.db2.gz UEFYDLXRJNKESH-UHFFFAOYSA-N 2 3 307.526 3.105 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000423366485 434385098 /nfs/dbraw/zinc/38/50/98/434385098.db2.gz LQMGSWDPCXNOGF-ADEKHHIBSA-N 2 3 315.505 3.289 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000423366485 434385105 /nfs/dbraw/zinc/38/51/05/434385105.db2.gz LQMGSWDPCXNOGF-ADEKHHIBSA-N 2 3 315.505 3.289 20 0 DGADHP C[C@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCN1 ZINC000423369875 434386647 /nfs/dbraw/zinc/38/66/47/434386647.db2.gz CHLNFZOCLLHVCN-VHBXLISGSA-N 2 3 315.505 3.160 20 0 DGADHP C[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCN1 ZINC000423369875 434386658 /nfs/dbraw/zinc/38/66/58/434386658.db2.gz CHLNFZOCLLHVCN-VHBXLISGSA-N 2 3 315.505 3.160 20 0 DGADHP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)C[C@@H]1c1ccccc1 ZINC000573250097 434883989 /nfs/dbraw/zinc/88/39/89/434883989.db2.gz YQKCMFGFJQHNBU-VQTJNVASSA-N 2 3 309.457 3.070 20 0 DGADHP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)C[C@@H]1c1ccccc1 ZINC000573250097 434883994 /nfs/dbraw/zinc/88/39/94/434883994.db2.gz YQKCMFGFJQHNBU-VQTJNVASSA-N 2 3 309.457 3.070 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H](N)C2)C[N@@H+]1Cc1ccccc1 ZINC000573105333 434874828 /nfs/dbraw/zinc/87/48/28/434874828.db2.gz BDWOBLYWZFQRRI-MDNKFWRPSA-N 2 3 315.505 3.147 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H](N)C2)C[N@H+]1Cc1ccccc1 ZINC000573105333 434874834 /nfs/dbraw/zinc/87/48/34/434874834.db2.gz BDWOBLYWZFQRRI-MDNKFWRPSA-N 2 3 315.505 3.147 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000569622618 435548981 /nfs/dbraw/zinc/54/89/81/435548981.db2.gz GUSDKWFAGHTGCN-LSTHTHJFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000569622618 435548986 /nfs/dbraw/zinc/54/89/86/435548986.db2.gz GUSDKWFAGHTGCN-LSTHTHJFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516981867 435568392 /nfs/dbraw/zinc/56/83/92/435568392.db2.gz YMHVVUVXXACNRS-LSTHTHJFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516981867 435568397 /nfs/dbraw/zinc/56/83/97/435568397.db2.gz YMHVVUVXXACNRS-LSTHTHJFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650763697 436024892 /nfs/dbraw/zinc/02/48/92/436024892.db2.gz HGQNVFWAIFEMHK-APWZRJJASA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2CC[NH2+]CC2)CC1 ZINC000650763697 436024896 /nfs/dbraw/zinc/02/48/96/436024896.db2.gz HGQNVFWAIFEMHK-APWZRJJASA-N 2 3 307.526 3.009 20 0 DGADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000566483003 315351834 /nfs/dbraw/zinc/35/18/34/315351834.db2.gz QWVMDOAYYXAJIR-WOJBJXKFSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000873219774 623077877 /nfs/dbraw/zinc/07/78/77/623077877.db2.gz FVETVYNTFRVYAD-BXWFABGCSA-N 2 3 307.526 3.007 20 0 DGADHP CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886536422 627158883 /nfs/dbraw/zinc/15/88/83/627158883.db2.gz HICTUXKXHUMLMB-IAFLDTSXSA-N 2 3 307.526 3.246 20 0 DGADHP CN1CCCC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886642004 627178658 /nfs/dbraw/zinc/17/86/58/627178658.db2.gz XGDJRSLCSAYDPD-VIQWUECVSA-N 2 3 307.526 3.105 20 0 DGADHP C[C@@H]1CCCCN1CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925513325 627745006 /nfs/dbraw/zinc/74/50/06/627745006.db2.gz JDQSTKWGNYNQBQ-MJGOQNOKSA-N 2 3 303.494 3.321 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000844222102 630713031 /nfs/dbraw/zinc/71/30/31/630713031.db2.gz UIIGKCJNPKFUAC-RTBURBONSA-N 2 3 309.542 3.482 20 0 DGADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000844222102 630713033 /nfs/dbraw/zinc/71/30/33/630713033.db2.gz UIIGKCJNPKFUAC-RTBURBONSA-N 2 3 309.542 3.482 20 0 DGADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925487224 632378391 /nfs/dbraw/zinc/37/83/91/632378391.db2.gz LWZJUTAXOWPREN-BZSNNMDCSA-N 2 3 307.526 3.009 20 0 DGADHP C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001207483877 1083477817 /nfs/dbraw/zinc/47/78/17/1083477817.db2.gz IXRJSTJXLAWJKN-LJQANCHMSA-N 2 3 307.526 3.059 20 0 DGADHP C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001207483877 1083477823 /nfs/dbraw/zinc/47/78/23/1083477823.db2.gz IXRJSTJXLAWJKN-LJQANCHMSA-N 2 3 307.526 3.059 20 0 DGADHP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001208600440 1092420412 /nfs/dbraw/zinc/42/04/12/1092420412.db2.gz SLGHYAPFDZJSBS-IBGZPJMESA-N 2 3 307.526 3.059 20 0 DGADHP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001208600440 1092420417 /nfs/dbraw/zinc/42/04/17/1092420417.db2.gz SLGHYAPFDZJSBS-IBGZPJMESA-N 2 3 307.526 3.059 20 0 DGADHP CC[NH+]1CCC(C[N@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001208602820 1092422524 /nfs/dbraw/zinc/42/25/24/1092422524.db2.gz OHNQIKIYHVSVJX-UHFFFAOYSA-N 2 3 321.553 3.447 20 0 DGADHP CC[NH+]1CCC(C[N@@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001208602820 1092422531 /nfs/dbraw/zinc/42/25/31/1092422531.db2.gz OHNQIKIYHVSVJX-UHFFFAOYSA-N 2 3 321.553 3.447 20 0 DGADHP [NH3+][C@H](CN1CCCC2(CCCC[NH2+]C2)CCC1)c1ccccc1 ZINC001222109547 1095435965 /nfs/dbraw/zinc/43/59/65/1095435965.db2.gz KLIHCQMCXSDHSU-LJQANCHMSA-N 2 3 315.505 3.322 20 0 DGADHP CC(C)[C@@H]1C[C@H](N[C@@H](c2ccccc2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246251227 1104459194 /nfs/dbraw/zinc/45/91/94/1104459194.db2.gz ODYKRKSADLQMFG-AABGKKOBSA-N 2 3 315.505 3.094 20 0 DGADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246250838 1104459617 /nfs/dbraw/zinc/45/96/17/1104459617.db2.gz XIWAICRPZASEHH-DLBZAZTESA-N 2 3 307.526 3.055 20 0 DGADHP CC[C@H]1CC(NCCc2ccc(C[NH+](C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246254082 1104460305 /nfs/dbraw/zinc/46/03/05/1104460305.db2.gz GTLASQHVCANXFC-OALUTQOASA-N 2 3 317.521 3.190 20 0 DGADHP CC[C@@H]1C[C@H](NCCc2ccc(C[NH+](C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246254084 1104461340 /nfs/dbraw/zinc/46/13/40/1104461340.db2.gz GTLASQHVCANXFC-PMOLBWCYSA-N 2 3 317.521 3.190 20 0 DGADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@@H](C)C3)C[C@@H]2C)CN1 ZINC001246313448 1104483915 /nfs/dbraw/zinc/48/39/15/1104483915.db2.gz ZLKTXLBONXLIOV-IAPTUPAJSA-N 2 3 321.553 3.285 20 0 DGADHP C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337880 1104497545 /nfs/dbraw/zinc/49/75/45/1104497545.db2.gz XDGADBPFAMUQTK-IEBWSBKVSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337880 1104497547 /nfs/dbraw/zinc/49/75/47/1104497547.db2.gz XDGADBPFAMUQTK-IEBWSBKVSA-N 2 3 315.505 3.006 20 0 DGADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCCC)CC2)CCN1 ZINC001246367064 1104511589 /nfs/dbraw/zinc/51/15/89/1104511589.db2.gz ROJWCYLZDBKBOX-MOPGFXCFSA-N 2 3 309.542 3.399 20 0 DGADHP CCN(CC)CC[C@@H](C)[NH2+]CC1(c2ccccc2)CC[NH2+]CC1 ZINC001246373456 1104513736 /nfs/dbraw/zinc/51/37/36/1104513736.db2.gz IERVTXQQIJEAGA-GOSISDBHSA-N 2 3 317.521 3.018 20 0 DGADHP CC1(C)C[C@H](N[C@H](CC2CC[NH2+]CC2)c2ccccc2)CC[NH2+]1 ZINC001246391754 1104522482 /nfs/dbraw/zinc/52/24/82/1104522482.db2.gz GUJRPRBIGGGJLT-RTBURBONSA-N 2 3 315.505 3.238 20 0 DGADHP CC1(C)C[C@@H](N[C@H](CC2CC[NH2+]CC2)c2ccccc2)CC[NH2+]1 ZINC001246391750 1104523018 /nfs/dbraw/zinc/52/30/18/1104523018.db2.gz GUJRPRBIGGGJLT-RBUKOAKNSA-N 2 3 315.505 3.238 20 0 DGADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CCN1 ZINC001246424187 1104536037 /nfs/dbraw/zinc/53/60/37/1104536037.db2.gz PPMXBZUCGYPUPS-ROUUACIJSA-N 2 3 321.553 3.303 20 0 DGADHP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246442356 1104542674 /nfs/dbraw/zinc/54/26/74/1104542674.db2.gz NMCSNPLCFYCGBG-FRYIKTPZSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246442356 1104542677 /nfs/dbraw/zinc/54/26/77/1104542677.db2.gz NMCSNPLCFYCGBG-FRYIKTPZSA-N 2 3 315.505 3.207 20 0 DGADHP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001246553392 1104589995 /nfs/dbraw/zinc/58/99/95/1104589995.db2.gz RKDZFFNEMZERSM-PMACEKPBSA-N 2 3 315.505 3.244 20 0 DGADHP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001246553392 1104590008 /nfs/dbraw/zinc/59/00/08/1104590008.db2.gz RKDZFFNEMZERSM-PMACEKPBSA-N 2 3 315.505 3.244 20 0 DGADHP CN1CCC[C@@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246598000 1104614205 /nfs/dbraw/zinc/61/42/05/1104614205.db2.gz YNQVPHVVCTYZAW-GOSISDBHSA-N 2 3 307.526 3.107 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679322 1104659062 /nfs/dbraw/zinc/65/90/62/1104659062.db2.gz UMBHMKYVEVRMSV-INDMIFKZSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679322 1104659066 /nfs/dbraw/zinc/65/90/66/1104659066.db2.gz UMBHMKYVEVRMSV-INDMIFKZSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@H]1C[C@@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246797587 1104681276 /nfs/dbraw/zinc/68/12/76/1104681276.db2.gz URMMTADPCSQNHK-OALUTQOASA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@H]1C[C@@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246797587 1104681278 /nfs/dbraw/zinc/68/12/78/1104681278.db2.gz URMMTADPCSQNHK-OALUTQOASA-N 2 3 307.526 3.009 20 0 DGADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246934010 1104742549 /nfs/dbraw/zinc/74/25/49/1104742549.db2.gz MUDYEASICBYWHB-QHGAOEGBSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246934010 1104742555 /nfs/dbraw/zinc/74/25/55/1104742555.db2.gz MUDYEASICBYWHB-QHGAOEGBSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933772 1104743184 /nfs/dbraw/zinc/74/31/84/1104743184.db2.gz KRODNIBCQPILFX-MJGOQNOKSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933772 1104743188 /nfs/dbraw/zinc/74/31/88/1104743188.db2.gz KRODNIBCQPILFX-MJGOQNOKSA-N 2 3 319.537 3.153 20 0 DGADHP CC(C)[C@H]1C[C@@H]([N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246962222 1104752914 /nfs/dbraw/zinc/75/29/14/1104752914.db2.gz AXTQZABUPGSQRR-CADBVGFASA-N 2 3 307.526 3.135 20 0 DGADHP CC(C)[C@H]1C[C@@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246962222 1104752919 /nfs/dbraw/zinc/75/29/19/1104752919.db2.gz AXTQZABUPGSQRR-CADBVGFASA-N 2 3 307.526 3.135 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246965826 1104754409 /nfs/dbraw/zinc/75/44/09/1104754409.db2.gz RDOBCALXOYVPGO-QOFQOLBTSA-N 2 3 305.510 3.032 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246965826 1104754414 /nfs/dbraw/zinc/75/44/14/1104754414.db2.gz RDOBCALXOYVPGO-QOFQOLBTSA-N 2 3 305.510 3.032 20 0 DGADHP C[C@H]1C[C@H](NCc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256529091 1106434293 /nfs/dbraw/zinc/43/42/93/1106434293.db2.gz QCTWMYCNFMKPFR-LAUBAEHRSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@H]1C[C@H](NCc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529091 1106434298 /nfs/dbraw/zinc/43/42/98/1106434298.db2.gz QCTWMYCNFMKPFR-LAUBAEHRSA-N 2 3 323.484 3.288 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC001258898060 1107046234 /nfs/dbraw/zinc/04/62/34/1107046234.db2.gz FRJXAGISBOKYEW-FHWLQOOXSA-N 2 3 311.558 3.455 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258908580 1107055467 /nfs/dbraw/zinc/05/54/67/1107055467.db2.gz XSHZNNICTGNYAB-SFHVURJKSA-N 2 3 309.542 3.447 20 0 DGADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933610 132127758 /nfs/dbraw/zinc/12/77/58/132127758.db2.gz RYZPRVZWGZBYFK-XLIONFOSSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933610 132127759 /nfs/dbraw/zinc/12/77/59/132127759.db2.gz RYZPRVZWGZBYFK-XLIONFOSSA-N 2 3 315.505 3.102 20 0 DGADHP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000422688087 276335118 /nfs/dbraw/zinc/33/51/18/276335118.db2.gz CMPXPDLWVBXESQ-RBUKOAKNSA-N 2 3 303.494 3.278 20 0 DGADHP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000309837150 278169092 /nfs/dbraw/zinc/16/90/92/278169092.db2.gz IVHPXYMUHAQHKE-QUCCMNQESA-N 2 3 317.521 3.396 20 0 DGADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422781661 278309393 /nfs/dbraw/zinc/30/93/93/278309393.db2.gz MCFQSRULEAUDBU-IAGOWNOFSA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000262326149 432481926 /nfs/dbraw/zinc/48/19/26/432481926.db2.gz RRVQOGLKSTWPKK-OALUTQOASA-N 2 3 303.494 3.136 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCC[N@H+](C)C3CC3)CC2)C1 ZINC000453388621 433146525 /nfs/dbraw/zinc/14/65/25/433146525.db2.gz BTIHTSJLOVTFHW-FXAWDEMLSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)C1 ZINC000453388621 433146533 /nfs/dbraw/zinc/14/65/33/433146533.db2.gz BTIHTSJLOVTFHW-FXAWDEMLSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000336719368 433186097 /nfs/dbraw/zinc/18/60/97/433186097.db2.gz RYRUPTDLASMXCQ-HKUYNNGSSA-N 2 3 303.494 3.006 20 0 DGADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422693276 433936150 /nfs/dbraw/zinc/93/61/50/433936150.db2.gz LTGLZZFKIJCUCS-MOPGFXCFSA-N 2 3 303.494 3.136 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719789 433950802 /nfs/dbraw/zinc/95/08/02/433950802.db2.gz RLRYPBGACTXKPF-MRXNPFEDSA-N 2 3 318.509 3.156 20 0 DGADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422824592 434028975 /nfs/dbraw/zinc/02/89/75/434028975.db2.gz HLBYNWCXZIYHKS-UXHICEINSA-N 2 3 315.505 3.280 20 0 DGADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422781663 433994161 /nfs/dbraw/zinc/99/41/61/433994161.db2.gz MCFQSRULEAUDBU-SJORKVTESA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000422781175 433994289 /nfs/dbraw/zinc/99/42/89/433994289.db2.gz DXRKBECFMQGKHA-MOPGFXCFSA-N 2 3 303.494 3.278 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422910225 434101055 /nfs/dbraw/zinc/10/10/55/434101055.db2.gz HQDSYWKQDKEDMI-RBUKOAKNSA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422910225 434101065 /nfs/dbraw/zinc/10/10/65/434101065.db2.gz HQDSYWKQDKEDMI-RBUKOAKNSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422880766 434078844 /nfs/dbraw/zinc/07/88/44/434078844.db2.gz MRAROQNLEAIBGU-IXDOHACOSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422880766 434078849 /nfs/dbraw/zinc/07/88/49/434078849.db2.gz MRAROQNLEAIBGU-IXDOHACOSA-N 2 3 303.494 3.134 20 0 DGADHP C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)CC[NH+]1CCCC1 ZINC000423139922 434245354 /nfs/dbraw/zinc/24/53/54/434245354.db2.gz WXPVKKCGJNIFJV-CEXWTWQISA-N 2 3 307.526 3.153 20 0 DGADHP NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397609392 434440470 /nfs/dbraw/zinc/44/04/70/434440470.db2.gz YNJGWVXAANUORR-UXHICEINSA-N 2 3 315.505 3.006 20 0 DGADHP [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422781181 295251233 /nfs/dbraw/zinc/25/12/33/295251233.db2.gz DYGCGWNGFMHVMB-VQTJNVASSA-N 2 3 315.505 3.280 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2CN)C[N@@H+]1Cc1ccccc1 ZINC000423005121 297395765 /nfs/dbraw/zinc/39/57/65/297395765.db2.gz QUNXVRQQXDLUJU-MDNKFWRPSA-N 2 3 315.505 3.004 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2CN)C[N@H+]1Cc1ccccc1 ZINC000423005121 297395768 /nfs/dbraw/zinc/39/57/68/297395768.db2.gz QUNXVRQQXDLUJU-MDNKFWRPSA-N 2 3 315.505 3.004 20 0 DGADHP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000568248292 435412992 /nfs/dbraw/zinc/41/29/92/435412992.db2.gz MIFQNZDAWMTAQR-WOJBJXKFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516981869 435567146 /nfs/dbraw/zinc/56/71/46/435567146.db2.gz YMHVVUVXXACNRS-UXPWSPDFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000516981869 435567148 /nfs/dbraw/zinc/56/71/48/435567148.db2.gz YMHVVUVXXACNRS-UXPWSPDFSA-N 2 3 315.505 3.278 20 0 DGADHP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC[NH+](CC2CC2)CC1 ZINC000665299614 435944500 /nfs/dbraw/zinc/94/45/00/435944500.db2.gz QFUHYZOQPUSMDQ-AQNXPRMDSA-N 2 3 319.537 3.009 20 0 DGADHP [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422781180 303420927 /nfs/dbraw/zinc/42/09/27/303420927.db2.gz DYGCGWNGFMHVMB-UXHICEINSA-N 2 3 315.505 3.280 20 0 DGADHP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(CC[NH3+])CC1 ZINC000584622639 337375090 /nfs/dbraw/zinc/37/50/90/337375090.db2.gz PNVMAYDRFHTVJI-UHFFFAOYSA-N 2 3 317.521 3.205 20 0 DGADHP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(CC[NH3+])CC1 ZINC000584622639 337375091 /nfs/dbraw/zinc/37/50/91/337375091.db2.gz PNVMAYDRFHTVJI-UHFFFAOYSA-N 2 3 317.521 3.205 20 0 DGADHP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584665341 337380153 /nfs/dbraw/zinc/38/01/53/337380153.db2.gz JAZWGVBEBUOTGG-KRFUXDQASA-N 2 3 315.505 3.003 20 0 DGADHP CC[N@H+](CCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1)CC1CC1 ZINC000904343575 619915037 /nfs/dbraw/zinc/91/50/37/619915037.db2.gz VRRNXVACYLOZEG-HXUWFJFHSA-N 2 3 321.553 3.210 20 0 DGADHP CC[N@@H+](CCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1)CC1CC1 ZINC000904343575 619915038 /nfs/dbraw/zinc/91/50/38/619915038.db2.gz VRRNXVACYLOZEG-HXUWFJFHSA-N 2 3 321.553 3.210 20 0 DGADHP C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000765453962 622265883 /nfs/dbraw/zinc/26/58/83/622265883.db2.gz UHWNCWUUISRKSS-QGZVFWFLSA-N 2 3 321.553 3.351 20 0 DGADHP NC[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000873242137 623088644 /nfs/dbraw/zinc/08/86/44/623088644.db2.gz MAUSGGVGHDTCKE-VQTJNVASSA-N 2 3 315.505 3.006 20 0 DGADHP [NH3+]CCC[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000925717299 627780428 /nfs/dbraw/zinc/78/04/28/627780428.db2.gz SHHOGOKOBYZMKI-QUCCMNQESA-N 2 3 315.505 3.178 20 0 DGADHP [NH3+]CCC[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000925717299 627780431 /nfs/dbraw/zinc/78/04/31/627780431.db2.gz SHHOGOKOBYZMKI-QUCCMNQESA-N 2 3 315.505 3.178 20 0 DGADHP CC1CC[NH+](C[C@H]2CCCN(CCCCCCC[NH3+])C2)CC1 ZINC000844221216 630713050 /nfs/dbraw/zinc/71/30/50/630713050.db2.gz AMYGRYZQDRALBG-IBGZPJMESA-N 2 3 309.542 3.340 20 0 DGADHP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001208600441 1092420295 /nfs/dbraw/zinc/42/02/95/1092420295.db2.gz SLGHYAPFDZJSBS-LJQANCHMSA-N 2 3 307.526 3.059 20 0 DGADHP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001208600441 1092420300 /nfs/dbraw/zinc/42/03/00/1092420300.db2.gz SLGHYAPFDZJSBS-LJQANCHMSA-N 2 3 307.526 3.059 20 0 DGADHP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC001246071815 1104363749 /nfs/dbraw/zinc/36/37/49/1104363749.db2.gz AWGUKMVKTGCEAG-XLIONFOSSA-N 2 3 315.505 3.019 20 0 DGADHP CC[NH+](CC)CC[C@H](C)N[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC001246249276 1104459220 /nfs/dbraw/zinc/45/92/20/1104459220.db2.gz ILZGBUDNQIMLBY-PXNSSMCTSA-N 2 3 317.521 3.437 20 0 DGADHP CCN(CC)CC[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC001246249276 1104459223 /nfs/dbraw/zinc/45/92/23/1104459223.db2.gz ILZGBUDNQIMLBY-PXNSSMCTSA-N 2 3 317.521 3.437 20 0 DGADHP CC[C@@H]1C[C@@H](NCCc2ccc(C[NH+](C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246254080 1104461324 /nfs/dbraw/zinc/46/13/24/1104461324.db2.gz GTLASQHVCANXFC-ACDBMABISA-N 2 3 317.521 3.190 20 0 DGADHP C[NH2+]C1CCC(NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)CC1 ZINC001246337374 1104497361 /nfs/dbraw/zinc/49/73/61/1104497361.db2.gz SFGNLIQSTSTSSI-UHFFFAOYSA-N 2 3 321.896 3.039 20 0 DGADHP C[C@@H]1C[C@@H](N[C@H](CC2CC[NH2+]CC2)c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246397296 1104525229 /nfs/dbraw/zinc/52/52/29/1104525229.db2.gz RFBXVYBZTYLOAH-WOUAJJJCSA-N 2 3 315.505 3.236 20 0 DGADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CCN1 ZINC001246425018 1104536174 /nfs/dbraw/zinc/53/61/74/1104536174.db2.gz VHNYFMGSORQLRP-MOPGFXCFSA-N 2 3 321.553 3.447 20 0 DGADHP CCCC[C@H]1C[C@@H](N2CCC(C3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC001246800579 1104682263 /nfs/dbraw/zinc/68/22/63/1104682263.db2.gz FNICXAJVHXRSBS-PMACEKPBSA-N 2 3 321.553 3.351 20 0 DGADHP CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246912614 1104734279 /nfs/dbraw/zinc/73/42/79/1104734279.db2.gz UKPOZBHGEKUAEU-CQJJOKNBSA-N 2 3 315.505 3.289 20 0 DGADHP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246912614 1104734290 /nfs/dbraw/zinc/73/42/90/1104734290.db2.gz UKPOZBHGEKUAEU-CQJJOKNBSA-N 2 3 315.505 3.289 20 0 DGADHP CNCC[C@@H](C)[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246974069 1104756582 /nfs/dbraw/zinc/75/65/82/1104756582.db2.gz QDRUQCOVODEJEV-BHIYHBOVSA-N 2 3 303.494 3.065 20 0 DGADHP CNCC[C@@H](C)[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246974069 1104756587 /nfs/dbraw/zinc/75/65/87/1104756587.db2.gz QDRUQCOVODEJEV-BHIYHBOVSA-N 2 3 303.494 3.065 20 0 DGADHP CCN(CC)CC[C@@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001255953476 1106348852 /nfs/dbraw/zinc/34/88/52/1106348852.db2.gz KRBCSGCUKJRUTD-QGZVFWFLSA-N 2 3 311.558 3.455 20 0 DGADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415012420 296329464 /nfs/dbraw/zinc/32/94/64/296329464.db2.gz SPHPDIBZAYGKBK-NMLACTOBSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415012420 296329466 /nfs/dbraw/zinc/32/94/66/296329466.db2.gz SPHPDIBZAYGKBK-NMLACTOBSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635006740 401400773 /nfs/dbraw/zinc/40/07/73/401400773.db2.gz NDEQQFITDGQTFB-MTNOOBJLSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000125474134 431926783 /nfs/dbraw/zinc/92/67/83/431926783.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 2 3 321.553 3.447 20 0 DGADHP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000125474134 431926784 /nfs/dbraw/zinc/92/67/84/431926784.db2.gz HISWUFHTHXNMBR-ICSRJNTNSA-N 2 3 321.553 3.447 20 0 DGADHP N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422811907 434022770 /nfs/dbraw/zinc/02/27/70/434022770.db2.gz VGJLGLBFFYPSNP-RBUKOAKNSA-N 2 3 301.478 3.032 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422829609 434037347 /nfs/dbraw/zinc/03/73/47/434037347.db2.gz PZEFYHFUYGKAJB-IRXDYDNUSA-N 2 3 303.494 3.278 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000414962643 293896399 /nfs/dbraw/zinc/89/63/99/293896399.db2.gz JXZQSSGHYBNHRH-LMMKCTJWSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422869749 434067175 /nfs/dbraw/zinc/06/71/75/434067175.db2.gz XWTYLLAUCIPSFH-YESZJQIVSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422869749 434067186 /nfs/dbraw/zinc/06/71/86/434067186.db2.gz XWTYLLAUCIPSFH-YESZJQIVSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)C1 ZINC000422877374 434072212 /nfs/dbraw/zinc/07/22/12/434072212.db2.gz HWWHOUWOYNFIHW-ACZWYYKOSA-N 2 3 315.505 3.134 20 0 DGADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)C1 ZINC000422877374 434072216 /nfs/dbraw/zinc/07/22/16/434072216.db2.gz HWWHOUWOYNFIHW-ACZWYYKOSA-N 2 3 315.505 3.134 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876648 434073935 /nfs/dbraw/zinc/07/39/35/434073935.db2.gz GOHJOWBLKXTDLU-INIZCTEOSA-N 2 3 318.509 3.011 20 0 DGADHP C[C@H](CCC[NH3+])[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422881976 434077836 /nfs/dbraw/zinc/07/78/36/434077836.db2.gz RMGAYTWNCCEMNT-OAHLLOKOSA-N 2 3 323.912 3.269 20 0 DGADHP CC[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422901955 434095637 /nfs/dbraw/zinc/09/56/37/434095637.db2.gz LXZRQAPENYIXDJ-UXHICEINSA-N 2 3 315.505 3.019 20 0 DGADHP C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422968478 434142155 /nfs/dbraw/zinc/14/21/55/434142155.db2.gz RDKCAYRGMPMSAC-UGXKVIGPSA-N 2 3 307.526 3.150 20 0 DGADHP C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422968475 434144049 /nfs/dbraw/zinc/14/40/49/434144049.db2.gz RDKCAYRGMPMSAC-LWSMDNFKSA-N 2 3 307.526 3.150 20 0 DGADHP N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422789465 295307645 /nfs/dbraw/zinc/30/76/45/295307645.db2.gz WTDCIAGNJGWLLA-MOPGFXCFSA-N 2 3 301.478 3.032 20 0 DGADHP N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422789466 295336712 /nfs/dbraw/zinc/33/67/12/295336712.db2.gz WTDCIAGNJGWLLA-OALUTQOASA-N 2 3 301.478 3.032 20 0 DGADHP [NH3+][C@H]1CCC[C@H](NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000573137149 434878129 /nfs/dbraw/zinc/87/81/29/434878129.db2.gz FTGOFLJQHISOPK-PMACEKPBSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656193058 435908652 /nfs/dbraw/zinc/90/86/52/435908652.db2.gz LAYGVFMGNNFXCP-AHRSYUTCSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656193058 435908654 /nfs/dbraw/zinc/90/86/54/435908654.db2.gz LAYGVFMGNNFXCP-AHRSYUTCSA-N 2 3 315.505 3.421 20 0 DGADHP [NH3+][C@@H]1C[C@@H](NCCCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000925806607 618623994 /nfs/dbraw/zinc/62/39/94/618623994.db2.gz FXKGQBPIWQWWEV-RTBURBONSA-N 2 3 301.478 3.281 20 0 DGADHP CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886536423 627158717 /nfs/dbraw/zinc/15/87/17/627158717.db2.gz HICTUXKXHUMLMB-QGLXBCBXSA-N 2 3 307.526 3.246 20 0 DGADHP CC(C)CCN1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000926488019 627902830 /nfs/dbraw/zinc/90/28/30/627902830.db2.gz RTUHRUSQYIBBRO-UHFFFAOYSA-N 2 3 309.542 3.353 20 0 DGADHP C[C@H]([NH2+]CC(C)(C)CN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001576240163 1191546280 /nfs/dbraw/zinc/54/62/80/1191546280.db2.gz VQDHBWQRVJUMCV-PKOBYXMFSA-N 2 3 317.521 3.122 20 0 DGADHP C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(C2CCC2)C1 ZINC001576244592 1191546602 /nfs/dbraw/zinc/54/66/02/1191546602.db2.gz MBZYPSMJASCHAD-GQOOQVERSA-N 2 3 319.537 3.150 20 0 DGADHP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001168322452 1087293538 /nfs/dbraw/zinc/29/35/38/1087293538.db2.gz BWPAEAYJOPBKSX-JLAWEPINSA-N 2 3 307.526 3.200 20 0 DGADHP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001168322452 1087293540 /nfs/dbraw/zinc/29/35/40/1087293540.db2.gz BWPAEAYJOPBKSX-JLAWEPINSA-N 2 3 307.526 3.200 20 0 DGADHP C[NH+](C)CC(C)(C)CN1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001276657733 1092848519 /nfs/dbraw/zinc/84/85/19/1092848519.db2.gz BMBSMQFQQUPLRI-UHFFFAOYSA-N 2 3 321.553 3.305 20 0 DGADHP C[NH+](C)CC(C)(C)CN1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001276657733 1092848520 /nfs/dbraw/zinc/84/85/20/1092848520.db2.gz BMBSMQFQQUPLRI-UHFFFAOYSA-N 2 3 321.553 3.305 20 0 DGADHP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001171962698 1097006831 /nfs/dbraw/zinc/00/68/31/1097006831.db2.gz CKOAJBABLUZSQG-OTWHNJEPSA-N 2 3 315.505 3.289 20 0 DGADHP COc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1CN1CCCCC1 ZINC001327839502 1103738844 /nfs/dbraw/zinc/73/88/44/1103738844.db2.gz ITDMMUXUDDTIDI-MRXNPFEDSA-N 2 3 319.493 3.071 20 0 DGADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@@H](C)C3)C[C@H]2C)CN1 ZINC001246313450 1104483832 /nfs/dbraw/zinc/48/38/32/1104483832.db2.gz ZLKTXLBONXLIOV-OGGNBRINSA-N 2 3 321.553 3.285 20 0 DGADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246366227 1104511244 /nfs/dbraw/zinc/51/12/44/1104511244.db2.gz NHLNWBDUGNVNOI-QFBILLFUSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(C)C)CC2)CCN1 ZINC001246370153 1104513282 /nfs/dbraw/zinc/51/32/82/1104513282.db2.gz XOJKABRVGVYITG-MOPGFXCFSA-N 2 3 309.542 3.255 20 0 DGADHP CCCC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(C)C)CC2)CCN1 ZINC001246370154 1104513760 /nfs/dbraw/zinc/51/37/60/1104513760.db2.gz XOJKABRVGVYITG-OALUTQOASA-N 2 3 309.542 3.255 20 0 DGADHP CC1(C)C[C@H](N[C@@H](CC2CC[NH2+]CC2)c2ccccc2)CC[NH2+]1 ZINC001246391743 1104522665 /nfs/dbraw/zinc/52/26/65/1104522665.db2.gz GUJRPRBIGGGJLT-MOPGFXCFSA-N 2 3 315.505 3.238 20 0 DGADHP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001246564329 1104598242 /nfs/dbraw/zinc/59/82/42/1104598242.db2.gz MVLOCZWRZFKRQD-HOJAQTOUSA-N 2 3 315.505 3.100 20 0 DGADHP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001246564329 1104598252 /nfs/dbraw/zinc/59/82/52/1104598252.db2.gz MVLOCZWRZFKRQD-HOJAQTOUSA-N 2 3 315.505 3.100 20 0 DGADHP C1CCC2(CC1)C[C@@H]([N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1)CCN2 ZINC001246661079 1104653161 /nfs/dbraw/zinc/65/31/61/1104653161.db2.gz TXAFYRRPMXYCQP-OALUTQOASA-N 2 3 319.537 3.295 20 0 DGADHP C1CCC2(CC1)C[C@@H]([N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)CCN2 ZINC001246661079 1104653167 /nfs/dbraw/zinc/65/31/67/1104653167.db2.gz TXAFYRRPMXYCQP-OALUTQOASA-N 2 3 319.537 3.295 20 0 DGADHP CN1C(C)(C)CC([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678457 1104658867 /nfs/dbraw/zinc/65/88/67/1104658867.db2.gz NUAIIOINZJRRML-DLBZAZTESA-N 2 3 321.553 3.349 20 0 DGADHP CN1C(C)(C)CC([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678457 1104658869 /nfs/dbraw/zinc/65/88/69/1104658869.db2.gz NUAIIOINZJRRML-DLBZAZTESA-N 2 3 321.553 3.349 20 0 DGADHP C[C@H]1CC([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@H](C)N1 ZINC001246912366 1104733594 /nfs/dbraw/zinc/73/35/94/1104733594.db2.gz RWSJDJWAEKAECW-XYCLOBBJSA-N 2 3 315.505 3.288 20 0 DGADHP C[C@H]1CC([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@H](C)N1 ZINC001246912366 1104733601 /nfs/dbraw/zinc/73/36/01/1104733601.db2.gz RWSJDJWAEKAECW-XYCLOBBJSA-N 2 3 315.505 3.288 20 0 DGADHP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)c1 ZINC001246974749 1104758366 /nfs/dbraw/zinc/75/83/66/1104758366.db2.gz RSCKUPOKMDCLJE-FRYIKTPZSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)c1 ZINC001246974749 1104758370 /nfs/dbraw/zinc/75/83/70/1104758370.db2.gz RSCKUPOKMDCLJE-FRYIKTPZSA-N 2 3 315.505 3.207 20 0 DGADHP CCCC[NH+]1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256565664 1106157711 /nfs/dbraw/zinc/15/77/11/1106157711.db2.gz LGWQUTXIBUFDCW-UHFFFAOYSA-N 2 3 309.542 3.351 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)C1 ZINC000356779782 285485634 /nfs/dbraw/zinc/48/56/34/285485634.db2.gz PCAMSZJCILSTGR-PKOBYXMFSA-N 2 3 321.553 3.351 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)CC1 ZINC000358250808 286011076 /nfs/dbraw/zinc/01/10/76/286011076.db2.gz LYHNVULCEUCEHU-PCODVIEZSA-N 2 3 319.537 3.246 20 0 DGADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000359808777 286384201 /nfs/dbraw/zinc/38/42/01/286384201.db2.gz RYZPRVZWGZBYFK-YLJYHZDGSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000359808777 286384204 /nfs/dbraw/zinc/38/42/04/286384204.db2.gz RYZPRVZWGZBYFK-YLJYHZDGSA-N 2 3 315.505 3.102 20 0 DGADHP CC[NH+]1CCC(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194058939 165336469 /nfs/dbraw/zinc/33/64/69/165336469.db2.gz YJHIFPJUZPMJAJ-FGTMMUONSA-N 2 3 306.494 3.046 20 0 DGADHP CC[NH+](CC)CCCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182748499 432224827 /nfs/dbraw/zinc/22/48/27/432224827.db2.gz OPTQNGSOKUDGQU-IBGZPJMESA-N 2 3 309.542 3.305 20 0 DGADHP CC[NH+](CC)CCCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000182748499 432224829 /nfs/dbraw/zinc/22/48/29/432224829.db2.gz OPTQNGSOKUDGQU-IBGZPJMESA-N 2 3 309.542 3.305 20 0 DGADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000422876004 287347856 /nfs/dbraw/zinc/34/78/56/287347856.db2.gz FSTUMSYRALMFRA-FUMNGEBKSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000422876004 287347858 /nfs/dbraw/zinc/34/78/58/287347858.db2.gz FSTUMSYRALMFRA-FUMNGEBKSA-N 2 3 321.553 3.399 20 0 DGADHP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000422688085 276110267 /nfs/dbraw/zinc/11/02/67/276110267.db2.gz CMPXPDLWVBXESQ-MOPGFXCFSA-N 2 3 303.494 3.278 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415024584 278469526 /nfs/dbraw/zinc/46/95/26/278469526.db2.gz NQWMDPBWOIXSJQ-SOAMZJECSA-N 2 3 321.553 3.384 20 0 DGADHP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422779789 433992684 /nfs/dbraw/zinc/99/26/84/433992684.db2.gz GNPPZGBPBYPPSF-MOPGFXCFSA-N 2 3 303.494 3.278 20 0 DGADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796705 434009054 /nfs/dbraw/zinc/00/90/54/434009054.db2.gz YWXMBURKLWXWNJ-XLIONFOSSA-N 2 3 315.505 3.150 20 0 DGADHP [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422824594 434029973 /nfs/dbraw/zinc/02/99/73/434029973.db2.gz HLBYNWCXZIYHKS-WOJBJXKFSA-N 2 3 315.505 3.280 20 0 DGADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)C1 ZINC000422877377 434071645 /nfs/dbraw/zinc/07/16/45/434071645.db2.gz HWWHOUWOYNFIHW-WOUAJJJCSA-N 2 3 315.505 3.134 20 0 DGADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)C1 ZINC000422877377 434071663 /nfs/dbraw/zinc/07/16/63/434071663.db2.gz HWWHOUWOYNFIHW-WOUAJJJCSA-N 2 3 315.505 3.134 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2CN)C[N@@H+]1Cc1ccccc1 ZINC000423005120 434162243 /nfs/dbraw/zinc/16/22/43/434162243.db2.gz QUNXVRQQXDLUJU-GTAWCEEGSA-N 2 3 315.505 3.004 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2CN)C[N@H+]1Cc1ccccc1 ZINC000423005120 434162251 /nfs/dbraw/zinc/16/22/51/434162251.db2.gz QUNXVRQQXDLUJU-GTAWCEEGSA-N 2 3 315.505 3.004 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000423366488 434387794 /nfs/dbraw/zinc/38/77/94/434387794.db2.gz LQMGSWDPCXNOGF-SOAISFHBSA-N 2 3 315.505 3.289 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000423366488 434387802 /nfs/dbraw/zinc/38/78/02/434387802.db2.gz LQMGSWDPCXNOGF-SOAISFHBSA-N 2 3 315.505 3.289 20 0 DGADHP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000459796013 434724659 /nfs/dbraw/zinc/72/46/59/434724659.db2.gz VWDKTDABHPUERE-QGZVFWFLSA-N 2 3 307.526 3.105 20 0 DGADHP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000459796013 434724663 /nfs/dbraw/zinc/72/46/63/434724663.db2.gz VWDKTDABHPUERE-QGZVFWFLSA-N 2 3 307.526 3.105 20 0 DGADHP CCCN1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000462113479 434900372 /nfs/dbraw/zinc/90/03/72/434900372.db2.gz WWLJFDXFCBWKOD-MJGOQNOKSA-N 2 3 309.542 3.351 20 0 DGADHP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000647803184 436126330 /nfs/dbraw/zinc/12/63/30/436126330.db2.gz LCTCEVOTANFTHR-UTKZUKDTSA-N 2 3 323.484 3.146 20 0 DGADHP CCCN1CCC([NH2+]Cc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000123873628 545909529 /nfs/dbraw/zinc/90/95/29/545909529.db2.gz TWSSPTPLZRWANM-UHFFFAOYSA-N 2 3 303.494 3.102 20 0 DGADHP CCCN1CCC([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000123873628 545909532 /nfs/dbraw/zinc/90/95/32/545909532.db2.gz TWSSPTPLZRWANM-UHFFFAOYSA-N 2 3 303.494 3.102 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925552827 618490414 /nfs/dbraw/zinc/49/04/14/618490414.db2.gz LJSJAOJTOVUPDL-HOJAQTOUSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925552827 618490416 /nfs/dbraw/zinc/49/04/16/618490416.db2.gz LJSJAOJTOVUPDL-HOJAQTOUSA-N 2 3 321.553 3.399 20 0 DGADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000903892546 619829357 /nfs/dbraw/zinc/82/93/57/619829357.db2.gz UPDZBBREMOPWFC-XUBOLADHSA-N 2 3 319.537 3.105 20 0 DGADHP CC[NH+](CC)CCCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904333274 619914319 /nfs/dbraw/zinc/91/43/19/619914319.db2.gz WFRRPCAUABIIHH-LJQANCHMSA-N 2 3 309.542 3.210 20 0 DGADHP CC[NH+](CC)CCCC1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904333274 619914321 /nfs/dbraw/zinc/91/43/21/619914321.db2.gz WFRRPCAUABIIHH-LJQANCHMSA-N 2 3 309.542 3.210 20 0 DGADHP [NH3+]CCC[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000925717298 627780617 /nfs/dbraw/zinc/78/06/17/627780617.db2.gz SHHOGOKOBYZMKI-ICSRJNTNSA-N 2 3 315.505 3.178 20 0 DGADHP [NH3+]CCC[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000925717298 627780620 /nfs/dbraw/zinc/78/06/20/627780620.db2.gz SHHOGOKOBYZMKI-ICSRJNTNSA-N 2 3 315.505 3.178 20 0 DGADHP C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000817984923 627983322 /nfs/dbraw/zinc/98/33/22/627983322.db2.gz CLFLTXPGKQUCIE-CMKODMSKSA-N 2 3 319.537 3.009 20 0 DGADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262099720 657358173 /nfs/dbraw/zinc/35/81/73/657358173.db2.gz ITHOTKANBGQRPO-QFBILLFUSA-N 2 3 303.494 3.136 20 0 DGADHP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205254769 1091151169 /nfs/dbraw/zinc/15/11/69/1091151169.db2.gz AYTUZTVBERTFPN-VQTJNVASSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205254769 1091151175 /nfs/dbraw/zinc/15/11/75/1091151175.db2.gz AYTUZTVBERTFPN-VQTJNVASSA-N 2 3 315.505 3.102 20 0 DGADHP CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110200 1092198684 /nfs/dbraw/zinc/19/86/84/1092198684.db2.gz XIPZWRGYWPNUHN-ROUUACIJSA-N 2 3 307.526 3.057 20 0 DGADHP CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110200 1092198687 /nfs/dbraw/zinc/19/86/87/1092198687.db2.gz XIPZWRGYWPNUHN-ROUUACIJSA-N 2 3 307.526 3.057 20 0 DGADHP CN1C(C)(C)CC([NH2+]CCCCC[NH+]2CCCC2)CC1(C)C ZINC001171624352 1096937683 /nfs/dbraw/zinc/93/76/83/1096937683.db2.gz RKGWIOWPWWXLER-UHFFFAOYSA-N 2 3 309.542 3.494 20 0 DGADHP C[NH+](C)Cc1cccc(-c2ccccc2CN2CCC([NH3+])CC2)c1 ZINC001236425355 1099601428 /nfs/dbraw/zinc/60/14/28/1099601428.db2.gz NWFGFCPPXHZXDL-UHFFFAOYSA-N 2 3 323.484 3.338 20 0 DGADHP [NH3+]CCCCCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453405 1099620017 /nfs/dbraw/zinc/62/00/17/1099620017.db2.gz QQCHDQXWAOFJCQ-UHFFFAOYSA-N 2 3 323.912 3.413 20 0 DGADHP [NH3+]CCCCCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453405 1099620021 /nfs/dbraw/zinc/62/00/21/1099620021.db2.gz QQCHDQXWAOFJCQ-UHFFFAOYSA-N 2 3 323.912 3.413 20 0 DGADHP [NH3+]CCCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453405 1099620026 /nfs/dbraw/zinc/62/00/26/1099620026.db2.gz QQCHDQXWAOFJCQ-UHFFFAOYSA-N 2 3 323.912 3.413 20 0 DGADHP CC[NH+](CC)CC[C@@H](C)N[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC001246249277 1104458856 /nfs/dbraw/zinc/45/88/56/1104458856.db2.gz ILZGBUDNQIMLBY-XLIONFOSSA-N 2 3 317.521 3.437 20 0 DGADHP CCN(CC)CC[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC001246249277 1104458864 /nfs/dbraw/zinc/45/88/64/1104458864.db2.gz ILZGBUDNQIMLBY-XLIONFOSSA-N 2 3 317.521 3.437 20 0 DGADHP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH2+]C3CCNCC3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001246308515 1104481907 /nfs/dbraw/zinc/48/19/07/1104481907.db2.gz LBACUYRQVRIDLH-SCNSOLTMSA-N 2 3 321.553 3.286 20 0 DGADHP C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337879 1104497280 /nfs/dbraw/zinc/49/72/80/1104497280.db2.gz XDGADBPFAMUQTK-HKUYNNGSSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337879 1104497283 /nfs/dbraw/zinc/49/72/83/1104497283.db2.gz XDGADBPFAMUQTK-HKUYNNGSSA-N 2 3 315.505 3.006 20 0 DGADHP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246364499 1104509478 /nfs/dbraw/zinc/50/94/78/1104509478.db2.gz HMIZSTYHFOVXRK-QZTJIDSGSA-N 2 3 309.542 3.111 20 0 DGADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001246546659 1104587273 /nfs/dbraw/zinc/58/72/73/1104587273.db2.gz NCKWPCRCMPECAL-PIKOESSRSA-N 2 3 315.505 3.241 20 0 DGADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001246546659 1104587279 /nfs/dbraw/zinc/58/72/79/1104587279.db2.gz NCKWPCRCMPECAL-PIKOESSRSA-N 2 3 315.505 3.241 20 0 DGADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246936350 1104743463 /nfs/dbraw/zinc/74/34/63/1104743463.db2.gz HSNUDHNQDBLBLV-YZGWKJHDSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246936350 1104743469 /nfs/dbraw/zinc/74/34/69/1104743469.db2.gz HSNUDHNQDBLBLV-YZGWKJHDSA-N 2 3 319.537 3.153 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCC2)[C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246965829 1104753966 /nfs/dbraw/zinc/75/39/66/1104753966.db2.gz RDOBCALXOYVPGO-QQTVYSQJSA-N 2 3 305.510 3.032 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246965829 1104753969 /nfs/dbraw/zinc/75/39/69/1104753969.db2.gz RDOBCALXOYVPGO-QQTVYSQJSA-N 2 3 305.510 3.032 20 0 DGADHP CCN(CC)CC[C@H](C)[NH2+]CC1CC[NH+](CC(C)(C)C)CC1 ZINC001255953475 1106348805 /nfs/dbraw/zinc/34/88/05/1106348805.db2.gz KRBCSGCUKJRUTD-KRWDZBQOSA-N 2 3 311.558 3.455 20 0 DGADHP CC(C)CN1CCC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001258008426 1106657346 /nfs/dbraw/zinc/65/73/46/1106657346.db2.gz RVCTZXWAIYUMNF-UHFFFAOYSA-N 2 3 321.553 3.209 20 0 DGADHP CC(C)CN1CCC([NH2+]CC2CC[NH+](CC(C)C)CC2)CC1 ZINC001258008371 1106657428 /nfs/dbraw/zinc/65/74/28/1106657428.db2.gz PHIALGIOTQXRAH-UHFFFAOYSA-N 2 3 309.542 3.064 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001258904064 1107049605 /nfs/dbraw/zinc/04/96/05/1107049605.db2.gz GPYBLEARXIYCMB-QGZVFWFLSA-N 2 3 309.542 3.480 20 0 DGADHP C[NH+]1CCC(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000125287701 284272595 /nfs/dbraw/zinc/27/25/95/284272595.db2.gz WLVXWCKOPHVMGR-UHFFFAOYSA-N 2 3 307.526 3.105 20 0 DGADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000105480281 194105451 /nfs/dbraw/zinc/10/54/51/194105451.db2.gz YOJXANVNKLBTIE-XLIONFOSSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000105480281 194105452 /nfs/dbraw/zinc/10/54/52/194105452.db2.gz YOJXANVNKLBTIE-XLIONFOSSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414899124 296329105 /nfs/dbraw/zinc/32/91/05/296329105.db2.gz GYYJEDOZLSBVHK-AEFFLSMTSA-N 2 3 307.526 3.009 20 0 DGADHP CC(C)N1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000177979947 432682446 /nfs/dbraw/zinc/68/24/46/432682446.db2.gz HUVGVKQLCJLXOD-UHFFFAOYSA-N 2 3 317.521 3.489 20 0 DGADHP CC(C)N1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000177979947 432682450 /nfs/dbraw/zinc/68/24/50/432682450.db2.gz HUVGVKQLCJLXOD-UHFFFAOYSA-N 2 3 317.521 3.489 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCC[N@H+](C)C3CC3)CC2)C1 ZINC000453388624 433143496 /nfs/dbraw/zinc/14/34/96/433143496.db2.gz BTIHTSJLOVTFHW-YLJYHZDGSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)C1 ZINC000453388624 433143501 /nfs/dbraw/zinc/14/35/01/433143501.db2.gz BTIHTSJLOVTFHW-YLJYHZDGSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)C1 ZINC000421379202 433523768 /nfs/dbraw/zinc/52/37/68/433523768.db2.gz WOIHSRCHQPCGIJ-OYGLOCFBSA-N 2 3 321.553 3.492 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(C)CC[NH2+]CC3)CC2)C1 ZINC000414906465 433908763 /nfs/dbraw/zinc/90/87/63/433908763.db2.gz PTCQZZGKTKAVIB-WMZOPIPTSA-N 2 3 307.526 3.009 20 0 DGADHP CC1CC[NH+](Cc2cccc(CN[C@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000422735532 433960094 /nfs/dbraw/zinc/96/00/94/433960094.db2.gz FCDFEHOCVQSJEI-UXHICEINSA-N 2 3 315.505 3.136 20 0 DGADHP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000422735534 433962046 /nfs/dbraw/zinc/96/20/46/433962046.db2.gz FCDFEHOCVQSJEI-WOJBJXKFSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422735563 433962363 /nfs/dbraw/zinc/96/23/63/433962363.db2.gz FGBGDQPHBHUWIJ-DLBZAZTESA-N 2 3 303.494 3.134 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422735041 433962731 /nfs/dbraw/zinc/96/27/31/433962731.db2.gz UIVAEENDBOVRSZ-GJZGRUSLSA-N 2 3 306.498 3.010 20 0 DGADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422824593 434032482 /nfs/dbraw/zinc/03/24/82/434032482.db2.gz HLBYNWCXZIYHKS-VQTJNVASSA-N 2 3 315.505 3.280 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422880768 434078262 /nfs/dbraw/zinc/07/82/62/434078262.db2.gz MRAROQNLEAIBGU-YESZJQIVSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422880768 434078268 /nfs/dbraw/zinc/07/82/68/434078268.db2.gz MRAROQNLEAIBGU-YESZJQIVSA-N 2 3 303.494 3.134 20 0 DGADHP CC[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422967373 434142449 /nfs/dbraw/zinc/14/24/49/434142449.db2.gz PCVXYVVXONWCDI-BTRQGYIVSA-N 2 3 307.526 3.150 20 0 DGADHP CC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCN1 ZINC000422967373 434142459 /nfs/dbraw/zinc/14/24/59/434142459.db2.gz PCVXYVVXONWCDI-BTRQGYIVSA-N 2 3 307.526 3.150 20 0 DGADHP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000647803185 436126018 /nfs/dbraw/zinc/12/60/18/436126018.db2.gz LCTCEVOTANFTHR-UWJYYQICSA-N 2 3 323.484 3.146 20 0 DGADHP [NH3+][C@@H]1CCC[C@@H](NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000573137155 315843191 /nfs/dbraw/zinc/84/31/91/315843191.db2.gz FTGOFLJQHISOPK-WOJBJXKFSA-N 2 3 315.505 3.422 20 0 DGADHP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000584361565 337101707 /nfs/dbraw/zinc/10/17/07/337101707.db2.gz VMMMOXDANMYLMY-VQTJNVASSA-N 2 3 315.505 3.278 20 0 DGADHP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925731343 627783908 /nfs/dbraw/zinc/78/39/08/627783908.db2.gz APUJJSAGYXGXQF-IAFLDTSXSA-N 2 3 307.526 3.007 20 0 DGADHP C[C@@H]([NH2+]CC(C)(C)CN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001576240161 1191547169 /nfs/dbraw/zinc/54/71/69/1191547169.db2.gz VQDHBWQRVJUMCV-MJGOQNOKSA-N 2 3 317.521 3.122 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001167833882 1084146723 /nfs/dbraw/zinc/14/67/23/1084146723.db2.gz FJUPEUSNUXGYCZ-GOSISDBHSA-N 2 3 318.509 3.023 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167965491 1085852558 /nfs/dbraw/zinc/85/25/58/1085852558.db2.gz HNOGSFFKBNNHAK-VOBGVNJCSA-N 2 3 321.553 3.492 20 0 DGADHP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001168031562 1086462907 /nfs/dbraw/zinc/46/29/07/1086462907.db2.gz ZUIOQEKUVHDEIA-DLRXZHIHSA-N 2 3 315.505 3.288 20 0 DGADHP CC(C)[NH+]1CCC(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171619015 1096935531 /nfs/dbraw/zinc/93/55/31/1096935531.db2.gz DSXFJLXENVOXOB-UHFFFAOYSA-N 2 3 309.542 3.348 20 0 DGADHP C(CN1CCCCC1)C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372303 1099557293 /nfs/dbraw/zinc/55/72/93/1099557293.db2.gz CLLGASOGNGXFNR-GOSISDBHSA-N 2 3 307.526 3.107 20 0 DGADHP C(CN1CCCCC1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372303 1099557304 /nfs/dbraw/zinc/55/73/04/1099557304.db2.gz CLLGASOGNGXFNR-GOSISDBHSA-N 2 3 307.526 3.107 20 0 DGADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)N1 ZINC001246366686 1104511532 /nfs/dbraw/zinc/51/15/32/1104511532.db2.gz PRBAZHSCQMUBOQ-XEMDLRDOSA-N 2 3 321.553 3.397 20 0 DGADHP C1CN([C@H]2CC[NH2+]C3(CCCCC3)C2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246609151 1104624302 /nfs/dbraw/zinc/62/43/02/1104624302.db2.gz XMPJODQESBCZMF-PKOBYXMFSA-N 2 3 305.510 3.049 20 0 DGADHP CCCC[C@@H]1C[C@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246797592 1104680989 /nfs/dbraw/zinc/68/09/89/1104680989.db2.gz URMMTADPCSQNHK-RTBURBONSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246797592 1104680995 /nfs/dbraw/zinc/68/09/95/1104680995.db2.gz URMMTADPCSQNHK-RTBURBONSA-N 2 3 307.526 3.009 20 0 DGADHP CC(C)CN1CCC([N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246934203 1104742662 /nfs/dbraw/zinc/74/26/62/1104742662.db2.gz AEHKHKDXCZXGEN-SFHVURJKSA-N 2 3 321.553 3.351 20 0 DGADHP CC(C)CN1CCC([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246934203 1104742668 /nfs/dbraw/zinc/74/26/68/1104742668.db2.gz AEHKHKDXCZXGEN-SFHVURJKSA-N 2 3 321.553 3.351 20 0 DGADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933774 1104743573 /nfs/dbraw/zinc/74/35/73/1104743573.db2.gz KRODNIBCQPILFX-PKOBYXMFSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933774 1104743578 /nfs/dbraw/zinc/74/35/78/1104743578.db2.gz KRODNIBCQPILFX-PKOBYXMFSA-N 2 3 319.537 3.153 20 0 DGADHP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)c1 ZINC001246974750 1104759073 /nfs/dbraw/zinc/75/90/73/1104759073.db2.gz RSCKUPOKMDCLJE-LEAZDLGRSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)c1 ZINC001246974750 1104759079 /nfs/dbraw/zinc/75/90/79/1104759079.db2.gz RSCKUPOKMDCLJE-LEAZDLGRSA-N 2 3 315.505 3.207 20 0 DGADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422789926 284736553 /nfs/dbraw/zinc/73/65/53/284736553.db2.gz SSVFYMYJKXEMGY-QFBILLFUSA-N 2 3 303.494 3.006 20 0 DGADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422883327 278539510 /nfs/dbraw/zinc/53/95/10/278539510.db2.gz QMJAKZLDJBOQLZ-SLFFLAALSA-N 2 3 321.553 3.399 20 0 DGADHP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000422688086 433934267 /nfs/dbraw/zinc/93/42/67/433934267.db2.gz CMPXPDLWVBXESQ-OALUTQOASA-N 2 3 303.494 3.278 20 0 DGADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397609389 293847104 /nfs/dbraw/zinc/84/71/04/293847104.db2.gz YNJGWVXAANUORR-PMACEKPBSA-N 2 3 315.505 3.006 20 0 DGADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422824591 434029903 /nfs/dbraw/zinc/02/99/03/434029903.db2.gz HLBYNWCXZIYHKS-PMACEKPBSA-N 2 3 315.505 3.280 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422829607 434037161 /nfs/dbraw/zinc/03/71/61/434037161.db2.gz PZEFYHFUYGKAJB-DLBZAZTESA-N 2 3 303.494 3.278 20 0 DGADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422883325 434083274 /nfs/dbraw/zinc/08/32/74/434083274.db2.gz QMJAKZLDJBOQLZ-HSALFYBXSA-N 2 3 321.553 3.399 20 0 DGADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397609395 434439937 /nfs/dbraw/zinc/43/99/37/434439937.db2.gz YNJGWVXAANUORR-VQTJNVASSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568901074 435482515 /nfs/dbraw/zinc/48/25/15/435482515.db2.gz LNONUTCCJBHSFJ-LSTHTHJFSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568901074 435482520 /nfs/dbraw/zinc/48/25/20/435482520.db2.gz LNONUTCCJBHSFJ-LSTHTHJFSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000569724155 435556624 /nfs/dbraw/zinc/55/66/24/435556624.db2.gz ZMLXFPMVTGMESM-UTKZUKDTSA-N 2 3 323.484 3.146 20 0 DGADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000569724155 435556628 /nfs/dbraw/zinc/55/66/28/435556628.db2.gz ZMLXFPMVTGMESM-UTKZUKDTSA-N 2 3 323.484 3.146 20 0 DGADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925554317 618491043 /nfs/dbraw/zinc/49/10/43/618491043.db2.gz XYDNFKKNGAFJFR-YZGWKJHDSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925554317 618491044 /nfs/dbraw/zinc/49/10/44/618491044.db2.gz XYDNFKKNGAFJFR-YZGWKJHDSA-N 2 3 321.553 3.256 20 0 DGADHP [NH3+][C@H]1C[C@@H](NCCCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000925806603 618624046 /nfs/dbraw/zinc/62/40/46/618624046.db2.gz FXKGQBPIWQWWEV-RBUKOAKNSA-N 2 3 301.478 3.281 20 0 DGADHP C[C@@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000873220011 623078826 /nfs/dbraw/zinc/07/88/26/623078826.db2.gz FVETVYNTFRVYAD-MDZRGWNJSA-N 2 3 307.526 3.007 20 0 DGADHP C(CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC[NH+]1CCCCC1 ZINC000925488377 627741714 /nfs/dbraw/zinc/74/17/14/627741714.db2.gz SSSUHWNLUCNSBL-PMACEKPBSA-N 2 3 321.553 3.401 20 0 DGADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925553858 627753355 /nfs/dbraw/zinc/75/33/55/627753355.db2.gz SRXXMUAFPGVIKE-PMACEKPBSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925554315 627753673 /nfs/dbraw/zinc/75/36/73/627753673.db2.gz XYDNFKKNGAFJFR-MISYRCLQSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925554315 627753674 /nfs/dbraw/zinc/75/36/74/627753674.db2.gz XYDNFKKNGAFJFR-MISYRCLQSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000844222101 630713006 /nfs/dbraw/zinc/71/30/06/630713006.db2.gz UIIGKCJNPKFUAC-RBUKOAKNSA-N 2 3 309.542 3.482 20 0 DGADHP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000844222101 630713007 /nfs/dbraw/zinc/71/30/07/630713007.db2.gz UIIGKCJNPKFUAC-RBUKOAKNSA-N 2 3 309.542 3.482 20 0 DGADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001550943181 1188672697 /nfs/dbraw/zinc/67/26/97/1188672697.db2.gz CWEQFVSCSPBSFJ-VVJOJPPRSA-N 2 3 319.537 3.150 20 0 DGADHP C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(C2CCC2)C1 ZINC001576244594 1191547349 /nfs/dbraw/zinc/54/73/49/1191547349.db2.gz MBZYPSMJASCHAD-PMCHWUPSSA-N 2 3 319.537 3.150 20 0 DGADHP CC[N@H+](CCCN1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC001659652289 1196403114 /nfs/dbraw/zinc/40/31/14/1196403114.db2.gz QJUQGUAKMIEDGC-UHFFFAOYSA-N 2 3 317.521 3.446 20 0 DGADHP CC[N@@H+](CCCN1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC001659652289 1196403116 /nfs/dbraw/zinc/40/31/16/1196403116.db2.gz QJUQGUAKMIEDGC-UHFFFAOYSA-N 2 3 317.521 3.446 20 0 DGADHP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001208107148 1092198638 /nfs/dbraw/zinc/19/86/38/1092198638.db2.gz OPFRFERIASEUHB-SFHVURJKSA-N 2 3 307.526 3.059 20 0 DGADHP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001208107148 1092198640 /nfs/dbraw/zinc/19/86/40/1092198640.db2.gz OPFRFERIASEUHB-SFHVURJKSA-N 2 3 307.526 3.059 20 0 DGADHP CN1C(C)(C)CC([NH2+]C2CCC(C[NH+](C)C)CC2)CC1(C)C ZINC001171629829 1096930475 /nfs/dbraw/zinc/93/04/75/1096930475.db2.gz WNDASEGSFSERSF-UHFFFAOYSA-N 2 3 309.542 3.348 20 0 DGADHP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH2+]C3CCNCC3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001246308512 1104482040 /nfs/dbraw/zinc/48/20/40/1104482040.db2.gz LBACUYRQVRIDLH-HZLBELHRSA-N 2 3 321.553 3.286 20 0 DGADHP C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246331410 1104494161 /nfs/dbraw/zinc/49/41/61/1104494161.db2.gz BGPYBINFWFDCJC-QHGAOEGBSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246331410 1104494163 /nfs/dbraw/zinc/49/41/63/1104494163.db2.gz BGPYBINFWFDCJC-QHGAOEGBSA-N 2 3 315.505 3.006 20 0 DGADHP CC1(C)C[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246370920 1104512811 /nfs/dbraw/zinc/51/28/11/1104512811.db2.gz XUCZXCORNIMVEM-LJQANCHMSA-N 2 3 321.553 3.399 20 0 DGADHP CNCC[C@H](C)[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246441557 1104542167 /nfs/dbraw/zinc/54/21/67/1104542167.db2.gz IYGLEIRELYPEAI-WDSOQIARSA-N 2 3 303.494 3.065 20 0 DGADHP CNCC[C@H](C)[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246441557 1104542172 /nfs/dbraw/zinc/54/21/72/1104542172.db2.gz IYGLEIRELYPEAI-WDSOQIARSA-N 2 3 303.494 3.065 20 0 DGADHP CNCC[C@@H](C)[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246445074 1104542472 /nfs/dbraw/zinc/54/24/72/1104542472.db2.gz GMKUCRHPEQBWSQ-BHIYHBOVSA-N 2 3 303.494 3.065 20 0 DGADHP CNCC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246445074 1104542477 /nfs/dbraw/zinc/54/24/77/1104542477.db2.gz GMKUCRHPEQBWSQ-BHIYHBOVSA-N 2 3 303.494 3.065 20 0 DGADHP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001246553395 1104592275 /nfs/dbraw/zinc/59/22/75/1104592275.db2.gz RKDZFFNEMZERSM-WOJBJXKFSA-N 2 3 315.505 3.244 20 0 DGADHP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001246553395 1104592281 /nfs/dbraw/zinc/59/22/81/1104592281.db2.gz RKDZFFNEMZERSM-WOJBJXKFSA-N 2 3 315.505 3.244 20 0 DGADHP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001246553393 1104593854 /nfs/dbraw/zinc/59/38/54/1104593854.db2.gz RKDZFFNEMZERSM-UXHICEINSA-N 2 3 315.505 3.244 20 0 DGADHP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001246553393 1104593861 /nfs/dbraw/zinc/59/38/61/1104593861.db2.gz RKDZFFNEMZERSM-UXHICEINSA-N 2 3 315.505 3.244 20 0 DGADHP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246653608 1104648719 /nfs/dbraw/zinc/64/87/19/1104648719.db2.gz IMDRFIJBZQQZBR-CEXWTWQISA-N 2 3 307.526 3.151 20 0 DGADHP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246653608 1104648722 /nfs/dbraw/zinc/64/87/22/1104648722.db2.gz IMDRFIJBZQQZBR-CEXWTWQISA-N 2 3 307.526 3.151 20 0 DGADHP CCCC[C@@H]1C[C@@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246660108 1104653292 /nfs/dbraw/zinc/65/32/92/1104653292.db2.gz CJJOKQUYDGSKIA-QYZOEREBSA-N 2 3 307.526 3.151 20 0 DGADHP CC1(C)C[C@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246913523 1104735528 /nfs/dbraw/zinc/73/55/28/1104735528.db2.gz XWOSGIGZVCLCGB-CTWPCTMYSA-N 2 3 315.505 3.289 20 0 DGADHP CC1(C)C[C@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246913523 1104735535 /nfs/dbraw/zinc/73/55/35/1104735535.db2.gz XWOSGIGZVCLCGB-CTWPCTMYSA-N 2 3 315.505 3.289 20 0 DGADHP NCCC[N@H+](C1CCCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256847896 1106496560 /nfs/dbraw/zinc/49/65/60/1106496560.db2.gz DXACXOQTBWZPRL-UHFFFAOYSA-N 2 3 316.493 3.034 20 0 DGADHP NCCC[N@@H+](C1CCCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256847896 1106496564 /nfs/dbraw/zinc/49/65/64/1106496564.db2.gz DXACXOQTBWZPRL-UHFFFAOYSA-N 2 3 316.493 3.034 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000415018390 237009237 /nfs/dbraw/zinc/00/92/37/237009237.db2.gz BOKVSMQTLXKZRU-JPLJXNOCSA-N 2 3 321.553 3.384 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414975988 296353544 /nfs/dbraw/zinc/35/35/44/296353544.db2.gz PHYAJZMQPAYZBC-ZHALLVOQSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000414975988 296353545 /nfs/dbraw/zinc/35/35/45/296353545.db2.gz PHYAJZMQPAYZBC-ZHALLVOQSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415024579 278335252 /nfs/dbraw/zinc/33/52/52/278335252.db2.gz NQWMDPBWOIXSJQ-JPLJXNOCSA-N 2 3 321.553 3.384 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000125473897 431926799 /nfs/dbraw/zinc/92/67/99/431926799.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 2 3 321.553 3.447 20 0 DGADHP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000125473897 431926800 /nfs/dbraw/zinc/92/68/00/431926800.db2.gz HISWUFHTHXNMBR-QUCCMNQESA-N 2 3 321.553 3.447 20 0 DGADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422693279 433935982 /nfs/dbraw/zinc/93/59/82/433935982.db2.gz LTGLZZFKIJCUCS-RTBURBONSA-N 2 3 303.494 3.136 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422781660 433992647 /nfs/dbraw/zinc/99/26/47/433992647.db2.gz MCFQSRULEAUDBU-DLBZAZTESA-N 2 3 303.494 3.278 20 0 DGADHP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000422735533 433961873 /nfs/dbraw/zinc/96/18/73/433961873.db2.gz FCDFEHOCVQSJEI-VQTJNVASSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000415006137 433969494 /nfs/dbraw/zinc/96/94/94/433969494.db2.gz KACRVAPOAJOBPG-JOCLIGHLSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000415006137 433969503 /nfs/dbraw/zinc/96/95/03/433969503.db2.gz KACRVAPOAJOBPG-JOCLIGHLSA-N 2 3 319.537 3.007 20 0 DGADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422789923 434007325 /nfs/dbraw/zinc/00/73/25/434007325.db2.gz SSVFYMYJKXEMGY-LPHOPBHVSA-N 2 3 303.494 3.006 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422869746 434066399 /nfs/dbraw/zinc/06/63/99/434066399.db2.gz XWTYLLAUCIPSFH-BBWFWOEESA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422869746 434066406 /nfs/dbraw/zinc/06/64/06/434066406.db2.gz XWTYLLAUCIPSFH-BBWFWOEESA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422883999 434082060 /nfs/dbraw/zinc/08/20/60/434082060.db2.gz RCMYRLUYAAGQCE-YESZJQIVSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422883999 434082070 /nfs/dbraw/zinc/08/20/70/434082070.db2.gz RCMYRLUYAAGQCE-YESZJQIVSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000422855443 434057306 /nfs/dbraw/zinc/05/73/06/434057306.db2.gz DXKIEGQOXNFICR-UXPWSPDFSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000422855443 434057315 /nfs/dbraw/zinc/05/73/15/434057315.db2.gz DXKIEGQOXNFICR-UXPWSPDFSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422856564 434057609 /nfs/dbraw/zinc/05/76/09/434057609.db2.gz GIRBJZRBAYIPMC-IKGGRYGDSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422856564 434057616 /nfs/dbraw/zinc/05/76/16/434057616.db2.gz GIRBJZRBAYIPMC-IKGGRYGDSA-N 2 3 303.494 3.134 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000423366487 434383302 /nfs/dbraw/zinc/38/33/02/434383302.db2.gz LQMGSWDPCXNOGF-LHQJTOJGSA-N 2 3 315.505 3.289 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000423366487 434383308 /nfs/dbraw/zinc/38/33/08/434383308.db2.gz LQMGSWDPCXNOGF-LHQJTOJGSA-N 2 3 315.505 3.289 20 0 DGADHP N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422789467 295339181 /nfs/dbraw/zinc/33/91/81/295339181.db2.gz WTDCIAGNJGWLLA-RBUKOAKNSA-N 2 3 301.478 3.032 20 0 DGADHP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000574171019 434956802 /nfs/dbraw/zinc/95/68/02/434956802.db2.gz SEXLMEQACOPFLP-VQTJNVASSA-N 2 3 315.505 3.278 20 0 DGADHP CC[N@H+](CCC1CCN(CC[C@@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000537848789 435470704 /nfs/dbraw/zinc/47/07/04/435470704.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 2 3 321.553 3.305 20 0 DGADHP CC[N@@H+](CCC1CCN(CC[C@@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000537848789 435470712 /nfs/dbraw/zinc/47/07/12/435470712.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+](CCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1)CC1CC1 ZINC000537848789 435470721 /nfs/dbraw/zinc/47/07/21/435470721.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+](CCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1)CC1CC1 ZINC000537848789 435470727 /nfs/dbraw/zinc/47/07/27/435470727.db2.gz AMYNRMBIHHDFTB-FQEVSTJZSA-N 2 3 321.553 3.305 20 0 DGADHP CC1CC[NH+](Cc2cccc(CN[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000568248289 315496154 /nfs/dbraw/zinc/49/61/54/315496154.db2.gz MIFQNZDAWMTAQR-PMACEKPBSA-N 2 3 315.505 3.278 20 0 DGADHP CC[NH+]1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000579662747 323898878 /nfs/dbraw/zinc/89/88/78/323898878.db2.gz ULLLAQSSNMRXOZ-UHFFFAOYSA-N 2 3 307.526 3.105 20 0 DGADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000579731958 323912493 /nfs/dbraw/zinc/91/24/93/323912493.db2.gz QFQIQQQLXZGVHW-MOPGFXCFSA-N 2 3 301.478 3.032 20 0 DGADHP C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924577161 627651138 /nfs/dbraw/zinc/65/11/38/627651138.db2.gz CUNWYHXEGYPIMY-QGZVFWFLSA-N 2 3 303.494 3.275 20 0 DGADHP C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924711014 627671286 /nfs/dbraw/zinc/67/12/86/627671286.db2.gz DWAHTXTWIOCBFU-INIZCTEOSA-N 2 3 315.505 3.273 20 0 DGADHP CC1CCN(CCC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925511165 627745122 /nfs/dbraw/zinc/74/51/22/627745122.db2.gz HTTUVHLBRNIFQK-LJQANCHMSA-N 2 3 303.494 3.178 20 0 DGADHP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925542611 627751291 /nfs/dbraw/zinc/75/12/91/627751291.db2.gz NZYPRKCQSHJDJS-QCRHNUIXSA-N 2 3 319.537 3.150 20 0 DGADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846219588 631215303 /nfs/dbraw/zinc/21/53/03/631215303.db2.gz CQUHEINRNNHLMN-VQTJNVASSA-N 2 3 317.521 3.178 20 0 DGADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219588 631215304 /nfs/dbraw/zinc/21/53/04/631215304.db2.gz CQUHEINRNNHLMN-VQTJNVASSA-N 2 3 317.521 3.178 20 0 DGADHP C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001207483876 1083479117 /nfs/dbraw/zinc/47/91/17/1083479117.db2.gz IXRJSTJXLAWJKN-IBGZPJMESA-N 2 3 307.526 3.059 20 0 DGADHP C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001207483876 1083479126 /nfs/dbraw/zinc/47/91/26/1083479126.db2.gz IXRJSTJXLAWJKN-IBGZPJMESA-N 2 3 307.526 3.059 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001167834058 1084148397 /nfs/dbraw/zinc/14/83/97/1084148397.db2.gz HDOPGXSJJIWZKF-SFHVURJKSA-N 2 3 318.509 3.023 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC001204497082 1090983693 /nfs/dbraw/zinc/98/36/93/1090983693.db2.gz LKKXAKYLNHZYEK-UYAOXDASSA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC001204497082 1090983696 /nfs/dbraw/zinc/98/36/96/1090983696.db2.gz LKKXAKYLNHZYEK-UYAOXDASSA-N 2 3 321.553 3.305 20 0 DGADHP CC(C)C1=[NH+]CCc2ccc(CN3CCC[C@@](C)([NH3+])CC3)cc21 ZINC001205288610 1091166095 /nfs/dbraw/zinc/16/60/95/1091166095.db2.gz MCNJONVLNPZIQF-HXUWFJFHSA-N 2 3 313.489 3.391 20 0 DGADHP C[NH+]1CCC(C)(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001208107147 1092198282 /nfs/dbraw/zinc/19/82/82/1092198282.db2.gz OPFRFERIASEUHB-GOSISDBHSA-N 2 3 307.526 3.059 20 0 DGADHP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001208107147 1092198287 /nfs/dbraw/zinc/19/82/87/1092198287.db2.gz OPFRFERIASEUHB-GOSISDBHSA-N 2 3 307.526 3.059 20 0 DGADHP CN(C)CC1(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CCCC1 ZINC001236369634 1099555145 /nfs/dbraw/zinc/55/51/45/1099555145.db2.gz BATPONYMLVZITE-SFHVURJKSA-N 2 3 321.553 3.353 20 0 DGADHP CN(C)CC1(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CCCC1 ZINC001236369634 1099555157 /nfs/dbraw/zinc/55/51/57/1099555157.db2.gz BATPONYMLVZITE-SFHVURJKSA-N 2 3 321.553 3.353 20 0 DGADHP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC001246071814 1104363946 /nfs/dbraw/zinc/36/39/46/1104363946.db2.gz AWGUKMVKTGCEAG-PXNSSMCTSA-N 2 3 315.505 3.019 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCCC)CC2)CCN1 ZINC001246367089 1104511027 /nfs/dbraw/zinc/51/10/27/1104511027.db2.gz ROJWCYLZDBKBOX-RTBURBONSA-N 2 3 309.542 3.399 20 0 DGADHP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@H](C)C1 ZINC001246442355 1104541908 /nfs/dbraw/zinc/54/19/08/1104541908.db2.gz NMCSNPLCFYCGBG-AFYVEPGGSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@H](C)C1 ZINC001246442355 1104541917 /nfs/dbraw/zinc/54/19/17/1104541917.db2.gz NMCSNPLCFYCGBG-AFYVEPGGSA-N 2 3 315.505 3.207 20 0 DGADHP [NH3+]C[C@@H]1CCCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001246591374 1104610707 /nfs/dbraw/zinc/61/07/07/1104610707.db2.gz IQHCNDWYYFKANX-VQTJNVASSA-N 2 3 315.505 3.102 20 0 DGADHP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001246591374 1104610708 /nfs/dbraw/zinc/61/07/08/1104610708.db2.gz IQHCNDWYYFKANX-VQTJNVASSA-N 2 3 315.505 3.102 20 0 DGADHP [NH3+]C[C@H]1CCCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001246591362 1104610732 /nfs/dbraw/zinc/61/07/32/1104610732.db2.gz IQHCNDWYYFKANX-UXHICEINSA-N 2 3 315.505 3.102 20 0 DGADHP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001246591362 1104610739 /nfs/dbraw/zinc/61/07/39/1104610739.db2.gz IQHCNDWYYFKANX-UXHICEINSA-N 2 3 315.505 3.102 20 0 DGADHP c1ccc([C@@H]2C[C@H](N3CCC[C@@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602823 1104619920 /nfs/dbraw/zinc/61/99/20/1104619920.db2.gz CSRPFTWZGYYCGH-HSALFYBXSA-N 2 3 313.489 3.088 20 0 DGADHP C1CCC2(CC1)C[C@@H]([N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)CCN2 ZINC001246661081 1104652398 /nfs/dbraw/zinc/65/23/98/1104652398.db2.gz TXAFYRRPMXYCQP-RBUKOAKNSA-N 2 3 319.537 3.295 20 0 DGADHP C1CCC2(CC1)C[C@@H]([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)CCN2 ZINC001246661081 1104652403 /nfs/dbraw/zinc/65/24/03/1104652403.db2.gz TXAFYRRPMXYCQP-RBUKOAKNSA-N 2 3 319.537 3.295 20 0 DGADHP CC(C)[N@H+](CCC[NH3+])[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255384524 1106237995 /nfs/dbraw/zinc/23/79/95/1106237995.db2.gz YVGMWOYWUWHTJF-IBGZPJMESA-N 2 3 303.494 3.100 20 0 DGADHP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255384524 1106237996 /nfs/dbraw/zinc/23/79/96/1106237996.db2.gz YVGMWOYWUWHTJF-IBGZPJMESA-N 2 3 303.494 3.100 20 0 DGADHP CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001255947269 1106346200 /nfs/dbraw/zinc/34/62/00/1106346200.db2.gz QHJULLSAGDKNJT-KRWDZBQOSA-N 2 3 305.510 3.001 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422867858 296313783 /nfs/dbraw/zinc/31/37/83/296313783.db2.gz TYXPLAWRHJIFEB-AHRSYUTCSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422867858 296313785 /nfs/dbraw/zinc/31/37/85/296313785.db2.gz TYXPLAWRHJIFEB-AHRSYUTCSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423542671 296329350 /nfs/dbraw/zinc/32/93/50/296329350.db2.gz MMBCIASXSGJBPM-DSJDWBEOSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414838248 287311314 /nfs/dbraw/zinc/31/13/14/287311314.db2.gz LCWWBCUPIQMXQP-ZIFCJYIRSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414838248 287311316 /nfs/dbraw/zinc/31/13/16/287311316.db2.gz LCWWBCUPIQMXQP-ZIFCJYIRSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415012422 433969304 /nfs/dbraw/zinc/96/93/04/433969304.db2.gz SPHPDIBZAYGKBK-QLIIJSOBSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415012422 433969314 /nfs/dbraw/zinc/96/93/14/433969314.db2.gz SPHPDIBZAYGKBK-QLIIJSOBSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422790218 434007025 /nfs/dbraw/zinc/00/70/25/434007025.db2.gz PHUNBQURQUNBRF-YLJYHZDGSA-N 2 3 315.505 3.150 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422852154 434052201 /nfs/dbraw/zinc/05/22/01/434052201.db2.gz ADVIVDBZMJHSGB-ATZDWAIDSA-N 2 3 301.478 3.030 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422852154 434052208 /nfs/dbraw/zinc/05/22/08/434052208.db2.gz ADVIVDBZMJHSGB-ATZDWAIDSA-N 2 3 301.478 3.030 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000422907702 434102767 /nfs/dbraw/zinc/10/27/67/434102767.db2.gz CBUMYWCMIXCIFG-OALUTQOASA-N 2 3 303.494 3.276 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000422907702 434102773 /nfs/dbraw/zinc/10/27/73/434102773.db2.gz CBUMYWCMIXCIFG-OALUTQOASA-N 2 3 303.494 3.276 20 0 DGADHP CC1CC[NH+](Cc2ccccc2CN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422969618 434143792 /nfs/dbraw/zinc/14/37/92/434143792.db2.gz UXAITECAZCNFDD-PXNSSMCTSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423006914 434161725 /nfs/dbraw/zinc/16/17/25/434161725.db2.gz WUFCCRQYLZTDDT-DWRORGKVSA-N 2 3 303.494 3.003 20 0 DGADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423006914 434161730 /nfs/dbraw/zinc/16/17/30/434161730.db2.gz WUFCCRQYLZTDDT-DWRORGKVSA-N 2 3 303.494 3.003 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000378541131 434219334 /nfs/dbraw/zinc/21/93/34/434219334.db2.gz DVDJQTGGQKJMQS-HKUYNNGSSA-N 2 3 321.553 3.351 20 0 DGADHP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000459796012 434725519 /nfs/dbraw/zinc/72/55/19/434725519.db2.gz VWDKTDABHPUERE-KRWDZBQOSA-N 2 3 307.526 3.105 20 0 DGADHP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000459796012 434725525 /nfs/dbraw/zinc/72/55/25/434725525.db2.gz VWDKTDABHPUERE-KRWDZBQOSA-N 2 3 307.526 3.105 20 0 DGADHP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000574171020 434957191 /nfs/dbraw/zinc/95/71/91/434957191.db2.gz SEXLMEQACOPFLP-WOJBJXKFSA-N 2 3 315.505 3.278 20 0 DGADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000582496962 324237065 /nfs/dbraw/zinc/23/70/65/324237065.db2.gz LNGHGSSSSZPZQX-WOJBJXKFSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925552829 618490218 /nfs/dbraw/zinc/49/02/18/618490218.db2.gz LJSJAOJTOVUPDL-RLLQIKCJSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925552829 618490222 /nfs/dbraw/zinc/49/02/22/618490222.db2.gz LJSJAOJTOVUPDL-RLLQIKCJSA-N 2 3 321.553 3.399 20 0 DGADHP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925861414 618647989 /nfs/dbraw/zinc/64/79/89/618647989.db2.gz PLBSAOFZFOSIKJ-FUFFSDJGSA-N 2 3 319.537 3.151 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+]C[C@]3(C)CCCNC3)CC2)CC1 ZINC000904367770 619916837 /nfs/dbraw/zinc/91/68/37/619916837.db2.gz IJBONRRBCJALCK-CTWPCTMYSA-N 2 3 307.526 3.009 20 0 DGADHP CCCN1CC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886510053 627155218 /nfs/dbraw/zinc/15/52/18/627155218.db2.gz RIVDSRPTCHJUNJ-VIQWUECVSA-N 2 3 307.526 3.105 20 0 DGADHP C(CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CCC1CC[NH2+]CC1 ZINC000925808886 627798393 /nfs/dbraw/zinc/79/83/93/627798393.db2.gz QODHJSNTLZPOJE-VQTJNVASSA-N 2 3 321.553 3.304 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809102 627798460 /nfs/dbraw/zinc/79/84/60/627798460.db2.gz SCWXDBFUJQBOJW-HNNXBMFYSA-N 2 3 318.509 3.059 20 0 DGADHP CC[NH+]1CCC(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276496520 1091758055 /nfs/dbraw/zinc/75/80/55/1091758055.db2.gz FARQJSBMRNDEKV-UHFFFAOYSA-N 2 3 319.537 3.059 20 0 DGADHP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001208601711 1092422631 /nfs/dbraw/zinc/42/26/31/1092422631.db2.gz RKFPYIYTBKFJMG-RBUKOAKNSA-N 2 3 307.526 3.057 20 0 DGADHP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001208601711 1092422633 /nfs/dbraw/zinc/42/26/33/1092422633.db2.gz RKFPYIYTBKFJMG-RBUKOAKNSA-N 2 3 307.526 3.057 20 0 DGADHP CN(C)CC1(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCCC1 ZINC001222155167 1095463249 /nfs/dbraw/zinc/46/32/49/1095463249.db2.gz XAWSVMIZSJCHQD-IBGZPJMESA-N 2 3 321.553 3.354 20 0 DGADHP CN(C)CC1(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCCC1 ZINC001222155167 1095463253 /nfs/dbraw/zinc/46/32/53/1095463253.db2.gz XAWSVMIZSJCHQD-IBGZPJMESA-N 2 3 321.553 3.354 20 0 DGADHP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246250842 1104459539 /nfs/dbraw/zinc/45/95/39/1104459539.db2.gz XIWAICRPZASEHH-IAGOWNOFSA-N 2 3 307.526 3.055 20 0 DGADHP C(N[C@@H]1CCCC[NH2+]C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001246370088 1104513313 /nfs/dbraw/zinc/51/33/13/1104513313.db2.gz XCKKDYYBPPDKFR-LJQANCHMSA-N 2 3 307.526 3.010 20 0 DGADHP CCCN1CCC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246596124 1104614855 /nfs/dbraw/zinc/61/48/55/1104614855.db2.gz OXNBSPJRTUZUNE-UHFFFAOYSA-N 2 3 321.553 3.497 20 0 DGADHP c1ccc([C@@H]2C[C@@H](N3CCC[C@@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602826 1104620925 /nfs/dbraw/zinc/62/09/25/1104620925.db2.gz CSRPFTWZGYYCGH-SLFFLAALSA-N 2 3 313.489 3.088 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246653612 1104649020 /nfs/dbraw/zinc/64/90/20/1104649020.db2.gz IMDRFIJBZQQZBR-QRVBRYPASA-N 2 3 307.526 3.151 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246653612 1104649027 /nfs/dbraw/zinc/64/90/27/1104649027.db2.gz IMDRFIJBZQQZBR-QRVBRYPASA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)(C)[NH+]1CCC(N2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001246658668 1104650593 /nfs/dbraw/zinc/65/05/93/1104650593.db2.gz VGUBYFHZDYNTGU-GOSISDBHSA-N 2 3 307.526 3.103 20 0 DGADHP CN1C(C)(C)CC([NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1(C)C ZINC001246658886 1104651242 /nfs/dbraw/zinc/65/12/42/1104651242.db2.gz BPTIJKSENAVALN-SFHVURJKSA-N 2 3 321.553 3.492 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679324 1104658832 /nfs/dbraw/zinc/65/88/32/1104658832.db2.gz UMBHMKYVEVRMSV-WJFTUGDTSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679324 1104658834 /nfs/dbraw/zinc/65/88/34/1104658834.db2.gz UMBHMKYVEVRMSV-WJFTUGDTSA-N 2 3 307.526 3.009 20 0 DGADHP C[NH+]1CCC(C2CCN(C3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC001256573584 1106448440 /nfs/dbraw/zinc/44/84/40/1106448440.db2.gz KREWPFXTWJDAQP-UHFFFAOYSA-N 2 3 321.553 3.303 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459791859 296329085 /nfs/dbraw/zinc/32/90/85/296329085.db2.gz SAPIGNDGSVIXHT-GGPKGHCWSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459791859 296329088 /nfs/dbraw/zinc/32/90/88/296329088.db2.gz SAPIGNDGSVIXHT-GGPKGHCWSA-N 2 3 321.553 3.351 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)CC1 ZINC000422964366 275935946 /nfs/dbraw/zinc/93/59/46/275935946.db2.gz ILWXUVPPQQQGRR-MKCYZYCBSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000414837097 278498506 /nfs/dbraw/zinc/49/85/06/278498506.db2.gz KASKPYVSFJNFLR-ZHALLVOQSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453403504 433158128 /nfs/dbraw/zinc/15/81/28/433158128.db2.gz OOXJUGBPYLUXFP-PXNSSMCTSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453403504 433158136 /nfs/dbraw/zinc/15/81/36/433158136.db2.gz OOXJUGBPYLUXFP-PXNSSMCTSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCC[N@H+](C)C2CC2)CC1 ZINC000453403504 433158146 /nfs/dbraw/zinc/15/81/46/433158146.db2.gz OOXJUGBPYLUXFP-PXNSSMCTSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCC[N@@H+](C)C2CC2)CC1 ZINC000453403504 433158156 /nfs/dbraw/zinc/15/81/56/433158156.db2.gz OOXJUGBPYLUXFP-PXNSSMCTSA-N 2 3 321.553 3.494 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422876649 434070887 /nfs/dbraw/zinc/07/08/87/434070887.db2.gz GOHJOWBLKXTDLU-MRXNPFEDSA-N 2 3 318.509 3.011 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422890337 434086225 /nfs/dbraw/zinc/08/62/25/434086225.db2.gz IEBNYYOETWEPEK-MHORFTMASA-N 2 3 317.521 3.380 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422890337 434086234 /nfs/dbraw/zinc/08/62/34/434086234.db2.gz IEBNYYOETWEPEK-MHORFTMASA-N 2 3 317.521 3.380 20 0 DGADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423006917 434160836 /nfs/dbraw/zinc/16/08/36/434160836.db2.gz WUFCCRQYLZTDDT-LSTDLKDCSA-N 2 3 303.494 3.003 20 0 DGADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423006917 434160846 /nfs/dbraw/zinc/16/08/46/434160846.db2.gz WUFCCRQYLZTDDT-LSTDLKDCSA-N 2 3 303.494 3.003 20 0 DGADHP CC1CC[NH+](Cc2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000574171018 434957057 /nfs/dbraw/zinc/95/70/57/434957057.db2.gz SEXLMEQACOPFLP-UXHICEINSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)C1 ZINC000650764058 436023888 /nfs/dbraw/zinc/02/38/88/436023888.db2.gz PLKNNROCTNMIMO-VQIMIIECSA-N 2 3 307.526 3.009 20 0 DGADHP CC1CC[NH+](Cc2ccccc2CN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000584361564 337101699 /nfs/dbraw/zinc/10/16/99/337101699.db2.gz VMMMOXDANMYLMY-UXHICEINSA-N 2 3 315.505 3.278 20 0 DGADHP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925861415 618647831 /nfs/dbraw/zinc/64/78/31/618647831.db2.gz PLBSAOFZFOSIKJ-KAXARAQCSA-N 2 3 319.537 3.151 20 0 DGADHP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925861416 618648002 /nfs/dbraw/zinc/64/80/02/618648002.db2.gz PLBSAOFZFOSIKJ-NUVZVAJJSA-N 2 3 319.537 3.151 20 0 DGADHP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925723785 627782297 /nfs/dbraw/zinc/78/22/97/627782297.db2.gz YLIZHXVVAXBDLU-UXHICEINSA-N 2 3 321.553 3.255 20 0 DGADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846219584 631215348 /nfs/dbraw/zinc/21/53/48/631215348.db2.gz CQUHEINRNNHLMN-PMACEKPBSA-N 2 3 317.521 3.178 20 0 DGADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219584 631215349 /nfs/dbraw/zinc/21/53/49/631215349.db2.gz CQUHEINRNNHLMN-PMACEKPBSA-N 2 3 317.521 3.178 20 0 DGADHP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCN(Cc2ccccc2)C1 ZINC000309724459 656045469 /nfs/dbraw/zinc/04/54/69/656045469.db2.gz NBRIFSXSZUWYFC-HSALFYBXSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001575943628 1191518294 /nfs/dbraw/zinc/51/82/94/1191518294.db2.gz ZFUSYWVRSYMQMA-GTAWCEEGSA-N 2 3 315.505 3.147 20 0 DGADHP C[NH+](C)C1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC001168306075 1087288571 /nfs/dbraw/zinc/28/85/71/1087288571.db2.gz ZJZCSDPQXLBQIW-UHFFFAOYSA-N 2 3 321.553 3.494 20 0 DGADHP c1ccc(C[NH+]2CCC(CCN[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246073425 1104367394 /nfs/dbraw/zinc/36/73/94/1104367394.db2.gz VRLWBUIBIVBFRK-HXUWFJFHSA-N 2 3 315.505 3.020 20 0 DGADHP CC[NH+](CC)CC[C@@H](C)N[C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC001246249278 1104459036 /nfs/dbraw/zinc/45/90/36/1104459036.db2.gz ILZGBUDNQIMLBY-YLJYHZDGSA-N 2 3 317.521 3.437 20 0 DGADHP CCN(CC)CC[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC001246249278 1104459044 /nfs/dbraw/zinc/45/90/44/1104459044.db2.gz ILZGBUDNQIMLBY-YLJYHZDGSA-N 2 3 317.521 3.437 20 0 DGADHP CCCC[C@@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246255624 1104460425 /nfs/dbraw/zinc/46/04/25/1104460425.db2.gz KWUXOZOPVCFZLJ-MSOLQXFVSA-N 2 3 307.526 3.199 20 0 DGADHP C[NH2+]CC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001246363316 1104509127 /nfs/dbraw/zinc/50/91/27/1104509127.db2.gz DBQWVXLYGNJOKK-OAHLLOKOSA-N 2 3 323.912 3.140 20 0 DGADHP CCCC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCCC)CC2)CCN1 ZINC001246367083 1104512164 /nfs/dbraw/zinc/51/21/64/1104512164.db2.gz ROJWCYLZDBKBOX-RBUKOAKNSA-N 2 3 309.542 3.399 20 0 DGADHP C[NH2+]CC[C@@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001246370897 1104513844 /nfs/dbraw/zinc/51/38/44/1104513844.db2.gz XSBOFCHJGAHXGG-OAHLLOKOSA-N 2 3 323.912 3.140 20 0 DGADHP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001246564331 1104598531 /nfs/dbraw/zinc/59/85/31/1104598531.db2.gz MVLOCZWRZFKRQD-RLLQIKCJSA-N 2 3 315.505 3.100 20 0 DGADHP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001246564331 1104598537 /nfs/dbraw/zinc/59/85/37/1104598537.db2.gz MVLOCZWRZFKRQD-RLLQIKCJSA-N 2 3 315.505 3.100 20 0 DGADHP CC(C)N1CCC([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612431 1104628267 /nfs/dbraw/zinc/62/82/67/1104628267.db2.gz WCJGZIXLWRNYSW-IBGZPJMESA-N 2 3 307.526 3.105 20 0 DGADHP CC(C)N1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612431 1104628272 /nfs/dbraw/zinc/62/82/72/1104628272.db2.gz WCJGZIXLWRNYSW-IBGZPJMESA-N 2 3 307.526 3.105 20 0 DGADHP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246652675 1104649254 /nfs/dbraw/zinc/64/92/54/1104649254.db2.gz HAYYKQRDZVKZDW-BZSNNMDCSA-N 2 3 307.526 3.007 20 0 DGADHP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246652675 1104649260 /nfs/dbraw/zinc/64/92/60/1104649260.db2.gz HAYYKQRDZVKZDW-BZSNNMDCSA-N 2 3 307.526 3.007 20 0 DGADHP CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246912619 1104733559 /nfs/dbraw/zinc/73/35/59/1104733559.db2.gz UKPOZBHGEKUAEU-NBDWZHNGSA-N 2 3 315.505 3.289 20 0 DGADHP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246912619 1104733562 /nfs/dbraw/zinc/73/35/62/1104733562.db2.gz UKPOZBHGEKUAEU-NBDWZHNGSA-N 2 3 315.505 3.289 20 0 DGADHP C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@H](C)N1 ZINC001246912364 1104733842 /nfs/dbraw/zinc/73/38/42/1104733842.db2.gz RWSJDJWAEKAECW-MQMXLAGYSA-N 2 3 315.505 3.288 20 0 DGADHP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@H](C)N1 ZINC001246912364 1104733850 /nfs/dbraw/zinc/73/38/50/1104733850.db2.gz RWSJDJWAEKAECW-MQMXLAGYSA-N 2 3 315.505 3.288 20 0 DGADHP CNCC[C@H](C)[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246974070 1104757038 /nfs/dbraw/zinc/75/70/38/1104757038.db2.gz QDRUQCOVODEJEV-WDSOQIARSA-N 2 3 303.494 3.065 20 0 DGADHP CNCC[C@H](C)[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246974070 1104757041 /nfs/dbraw/zinc/75/70/41/1104757041.db2.gz QDRUQCOVODEJEV-WDSOQIARSA-N 2 3 303.494 3.065 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421375606 296329273 /nfs/dbraw/zinc/32/92/73/296329273.db2.gz QPHFOKSJNMMRIN-OQUMVOOASA-N 2 3 321.553 3.492 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)C1 ZINC000356779780 285485650 /nfs/dbraw/zinc/48/56/50/285485650.db2.gz PCAMSZJCILSTGR-IEBWSBKVSA-N 2 3 321.553 3.351 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)CC1 ZINC000090775262 401273675 /nfs/dbraw/zinc/27/36/75/401273675.db2.gz LYHNVULCEUCEHU-ZUPWUQBJSA-N 2 3 319.537 3.246 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421375608 287311037 /nfs/dbraw/zinc/31/10/37/287311037.db2.gz QPHFOKSJNMMRIN-OYGLOCFBSA-N 2 3 321.553 3.492 20 0 DGADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415012424 287311259 /nfs/dbraw/zinc/31/12/59/287311259.db2.gz SPHPDIBZAYGKBK-XWPNQZOQSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415012424 287311261 /nfs/dbraw/zinc/31/12/61/287311261.db2.gz SPHPDIBZAYGKBK-XWPNQZOQSA-N 2 3 319.537 3.007 20 0 DGADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422712854 433944584 /nfs/dbraw/zinc/94/45/84/433944584.db2.gz OQISLNLOHUTQDO-FXAWDEMLSA-N 2 3 315.505 3.280 20 0 DGADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422795420 434008761 /nfs/dbraw/zinc/00/87/61/434008761.db2.gz VMGHCCZSSMCUNC-LPHOPBHVSA-N 2 3 303.494 3.006 20 0 DGADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796706 434010663 /nfs/dbraw/zinc/01/06/63/434010663.db2.gz YWXMBURKLWXWNJ-YLJYHZDGSA-N 2 3 315.505 3.150 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422915815 434105760 /nfs/dbraw/zinc/10/57/60/434105760.db2.gz ZDQXLHGKBJPVFE-VQIMIIECSA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422915815 434105770 /nfs/dbraw/zinc/10/57/70/434105770.db2.gz ZDQXLHGKBJPVFE-VQIMIIECSA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000643536386 435346706 /nfs/dbraw/zinc/34/67/06/435346706.db2.gz QDRUKHZEWBNNSR-QGZVFWFLSA-N 2 3 321.553 3.397 20 0 DGADHP CC(C)(C)CC(C)(C)N1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000643536386 435346711 /nfs/dbraw/zinc/34/67/11/435346711.db2.gz QDRUKHZEWBNNSR-QGZVFWFLSA-N 2 3 321.553 3.397 20 0 DGADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000569724149 435556543 /nfs/dbraw/zinc/55/65/43/435556543.db2.gz ZMLXFPMVTGMESM-DYESRHJHSA-N 2 3 323.484 3.146 20 0 DGADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000569724149 435556549 /nfs/dbraw/zinc/55/65/49/435556549.db2.gz ZMLXFPMVTGMESM-DYESRHJHSA-N 2 3 323.484 3.146 20 0 DGADHP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520406824 435742563 /nfs/dbraw/zinc/74/25/63/435742563.db2.gz QUWVRYXNHHYXRV-LAUBAEHRSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520406824 435742568 /nfs/dbraw/zinc/74/25/68/435742568.db2.gz QUWVRYXNHHYXRV-LAUBAEHRSA-N 2 3 323.484 3.288 20 0 DGADHP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC[NH+](CC2CC2)CC1 ZINC000665299615 435944354 /nfs/dbraw/zinc/94/43/54/435944354.db2.gz QFUHYZOQPUSMDQ-VAMGGRTRSA-N 2 3 319.537 3.009 20 0 DGADHP CN1CCCC[C@H]1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489294 548224406 /nfs/dbraw/zinc/22/44/06/548224406.db2.gz LGLUTOKRCZSJLX-FQEVSTJZSA-N 2 3 321.553 3.449 20 0 DGADHP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492333 621214536 /nfs/dbraw/zinc/21/45/36/621214536.db2.gz HTDSLEUESWMYGW-MJGOQNOKSA-N 2 3 303.494 3.177 20 0 DGADHP CC(C)[N@H+]1CCC[C@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492333 621214538 /nfs/dbraw/zinc/21/45/38/621214538.db2.gz HTDSLEUESWMYGW-MJGOQNOKSA-N 2 3 303.494 3.177 20 0 DGADHP CC(C)N1CCC[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492333 621214539 /nfs/dbraw/zinc/21/45/39/621214539.db2.gz HTDSLEUESWMYGW-MJGOQNOKSA-N 2 3 303.494 3.177 20 0 DGADHP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)CN1CCCC1 ZINC000886507559 627154687 /nfs/dbraw/zinc/15/46/87/627154687.db2.gz PPWIDZHVGPPQGH-LMDPOFIKSA-N 2 3 307.526 3.105 20 0 DGADHP [NH3+]CCC[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000925717300 627780578 /nfs/dbraw/zinc/78/05/78/627780578.db2.gz SHHOGOKOBYZMKI-UYAOXDASSA-N 2 3 315.505 3.178 20 0 DGADHP [NH3+]CCC[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000925717300 627780583 /nfs/dbraw/zinc/78/05/83/627780583.db2.gz SHHOGOKOBYZMKI-UYAOXDASSA-N 2 3 315.505 3.178 20 0 DGADHP COc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000817953495 627973704 /nfs/dbraw/zinc/97/37/04/627973704.db2.gz PSSIJHHZNYNGBJ-JKSUJKDBSA-N 2 3 319.493 3.069 20 0 DGADHP [NH3+]CCC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000423504670 660490948 /nfs/dbraw/zinc/49/09/48/660490948.db2.gz NRNGLDMBZBHGEP-HXUWFJFHSA-N 2 3 315.505 3.463 20 0 DGADHP Cc1ccc(F)cc1CN(CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC001236509441 1099652097 /nfs/dbraw/zinc/65/20/97/1099652097.db2.gz MYTLPDQLLUWVAE-UHFFFAOYSA-N 2 3 321.484 3.207 20 0 DGADHP CC(C)([NH3+])c1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001245909317 1104302487 /nfs/dbraw/zinc/30/24/87/1104302487.db2.gz LYYHLSDWRKTXKJ-UHFFFAOYSA-N 2 3 323.484 3.471 20 0 DGADHP C[C@@H]1CCCCN1CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246195005 1104432736 /nfs/dbraw/zinc/43/27/36/1104432736.db2.gz MBNMDCVYAOQYMK-QGZVFWFLSA-N 2 3 307.526 3.153 20 0 DGADHP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001246203650 1104435788 /nfs/dbraw/zinc/43/57/88/1104435788.db2.gz CKOAJBABLUZSQG-GUDVDZBRSA-N 2 3 315.505 3.289 20 0 DGADHP C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246336271 1104497381 /nfs/dbraw/zinc/49/73/81/1104497381.db2.gz NZLBJFGHOZOPGF-YZGWKJHDSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246336271 1104497383 /nfs/dbraw/zinc/49/73/83/1104497383.db2.gz NZLBJFGHOZOPGF-YZGWKJHDSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H]1CC([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)N1 ZINC001246366684 1104512099 /nfs/dbraw/zinc/51/20/99/1104512099.db2.gz PRBAZHSCQMUBOQ-IRXDYDNUSA-N 2 3 321.553 3.397 20 0 DGADHP CCCC[NH+]1CCC(C[NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246369295 1104513013 /nfs/dbraw/zinc/51/30/13/1104513013.db2.gz ZLKZCWOLUZDSGM-ROUUACIJSA-N 2 3 309.542 3.255 20 0 DGADHP C(N[C@H]1CCCC[NH2+]C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001246370087 1104513442 /nfs/dbraw/zinc/51/34/42/1104513442.db2.gz XCKKDYYBPPDKFR-IBGZPJMESA-N 2 3 307.526 3.010 20 0 DGADHP C[C@@H]1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407044 1104528974 /nfs/dbraw/zinc/52/89/74/1104528974.db2.gz SONXQIPPDBECJH-AXUOBQJMSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407044 1104528980 /nfs/dbraw/zinc/52/89/80/1104528980.db2.gz SONXQIPPDBECJH-AXUOBQJMSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@@H]1C[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407047 1104529546 /nfs/dbraw/zinc/52/95/46/1104529546.db2.gz SONXQIPPDBECJH-UTRMSSBJSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407047 1104529551 /nfs/dbraw/zinc/52/95/51/1104529551.db2.gz SONXQIPPDBECJH-UTRMSSBJSA-N 2 3 319.468 3.038 20 0 DGADHP CC(C)CN1CCC([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CC1 ZINC001246424923 1104536895 /nfs/dbraw/zinc/53/68/95/1104536895.db2.gz UHCZFGNDSLCJOL-UHFFFAOYSA-N 2 3 321.553 3.256 20 0 DGADHP CC[NH+]1CCC(CC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC001246900464 1104728812 /nfs/dbraw/zinc/72/88/12/1104728812.db2.gz IXXDXSMKGABCBK-YOFSQIOKSA-N 2 3 319.537 3.103 20 0 DGADHP CC[NH+]1CCC(CC2CC[NH+]([C@H]3CCNC(C)(C)C3)CC2)CC1 ZINC001246902293 1104729015 /nfs/dbraw/zinc/72/90/15/1104729015.db2.gz QXFITPHLCMECNJ-IBGZPJMESA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CC([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@@H](C)N1 ZINC001246906685 1104732612 /nfs/dbraw/zinc/73/26/12/1104732612.db2.gz RWSJDJWAEKAECW-FDCMFXBMSA-N 2 3 315.505 3.288 20 0 DGADHP C[C@@H]1CC([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)C[C@@H](C)N1 ZINC001246906685 1104732621 /nfs/dbraw/zinc/73/26/21/1104732621.db2.gz RWSJDJWAEKAECW-FDCMFXBMSA-N 2 3 315.505 3.288 20 0 DGADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246936344 1104742450 /nfs/dbraw/zinc/74/24/50/1104742450.db2.gz HSNUDHNQDBLBLV-HOJAQTOUSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246936344 1104742455 /nfs/dbraw/zinc/74/24/55/1104742455.db2.gz HSNUDHNQDBLBLV-HOJAQTOUSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933770 1104742622 /nfs/dbraw/zinc/74/26/22/1104742622.db2.gz KRODNIBCQPILFX-IEBWSBKVSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933770 1104742627 /nfs/dbraw/zinc/74/26/27/1104742627.db2.gz KRODNIBCQPILFX-IEBWSBKVSA-N 2 3 319.537 3.153 20 0 DGADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415060300 237043397 /nfs/dbraw/zinc/04/33/97/237043397.db2.gz WFVRVJJNSZXVKE-NEWSRXKRSA-N 2 3 303.494 3.367 20 0 DGADHP CC[NH+]1CCC(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000121644145 284202518 /nfs/dbraw/zinc/20/25/18/284202518.db2.gz FNYCKKZMCXEOKB-UHFFFAOYSA-N 2 3 321.553 3.495 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414999145 296329132 /nfs/dbraw/zinc/32/91/32/296329132.db2.gz IXOBTJIRAFQDJW-NTDBWNAOSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423542673 296329280 /nfs/dbraw/zinc/32/92/80/296329280.db2.gz MMBCIASXSGJBPM-QQBOBMDFSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414975986 296329291 /nfs/dbraw/zinc/32/92/91/296329291.db2.gz PHYAJZMQPAYZBC-AOIWGVFYSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414975986 296329293 /nfs/dbraw/zinc/32/92/93/296329293.db2.gz PHYAJZMQPAYZBC-AOIWGVFYSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000309837148 533538124 /nfs/dbraw/zinc/53/81/24/533538124.db2.gz IVHPXYMUHAQHKE-ICSRJNTNSA-N 2 3 317.521 3.396 20 0 DGADHP [NH3+]C[C@H]1CCC[C@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422712857 433945107 /nfs/dbraw/zinc/94/51/07/433945107.db2.gz OQISLNLOHUTQDO-YLJYHZDGSA-N 2 3 315.505 3.280 20 0 DGADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422712856 433946665 /nfs/dbraw/zinc/94/66/65/433946665.db2.gz OQISLNLOHUTQDO-XLIONFOSSA-N 2 3 315.505 3.280 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422719788 433951145 /nfs/dbraw/zinc/95/11/45/433951145.db2.gz RLRYPBGACTXKPF-INIZCTEOSA-N 2 3 318.509 3.156 20 0 DGADHP CC1CC[NH+](Cc2cccc(CN[C@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000422735531 433963216 /nfs/dbraw/zinc/96/32/16/433963216.db2.gz FCDFEHOCVQSJEI-PMACEKPBSA-N 2 3 315.505 3.136 20 0 DGADHP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422780010 433991639 /nfs/dbraw/zinc/99/16/39/433991639.db2.gz GNPPZGBPBYPPSF-RBUKOAKNSA-N 2 3 303.494 3.278 20 0 DGADHP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422809854 434018728 /nfs/dbraw/zinc/01/87/28/434018728.db2.gz SMDDPDCBPMXPMI-WOJBJXKFSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422790214 434002607 /nfs/dbraw/zinc/00/26/07/434002607.db2.gz PHUNBQURQUNBRF-PXNSSMCTSA-N 2 3 315.505 3.150 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422878695 434076766 /nfs/dbraw/zinc/07/67/66/434076766.db2.gz JQRFKXSKHJMGDU-JKSUJKDBSA-N 2 3 318.509 3.154 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422878695 434076775 /nfs/dbraw/zinc/07/67/75/434076775.db2.gz JQRFKXSKHJMGDU-JKSUJKDBSA-N 2 3 318.509 3.154 20 0 DGADHP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000309837146 434104156 /nfs/dbraw/zinc/10/41/56/434104156.db2.gz IVHPXYMUHAQHKE-AZUAARDMSA-N 2 3 317.521 3.396 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422915812 434105589 /nfs/dbraw/zinc/10/55/89/434105589.db2.gz ZDQXLHGKBJPVFE-APWZRJJASA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422915812 434105599 /nfs/dbraw/zinc/10/55/99/434105599.db2.gz ZDQXLHGKBJPVFE-APWZRJJASA-N 2 3 303.494 3.005 20 0 DGADHP C[C@@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCN1 ZINC000423369872 434387182 /nfs/dbraw/zinc/38/71/82/434387182.db2.gz CHLNFZOCLLHVCN-IHJVYAAUSA-N 2 3 315.505 3.160 20 0 DGADHP C[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCN1 ZINC000423369872 434387191 /nfs/dbraw/zinc/38/71/91/434387191.db2.gz CHLNFZOCLLHVCN-IHJVYAAUSA-N 2 3 315.505 3.160 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000423556324 434488548 /nfs/dbraw/zinc/48/85/48/434488548.db2.gz YZYGLOMNUBAREP-DSJDWBEOSA-N 2 3 319.537 3.007 20 0 DGADHP [NH3+][C@@H]1CCC[C@H](NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000573137152 434877816 /nfs/dbraw/zinc/87/78/16/434877816.db2.gz FTGOFLJQHISOPK-UXHICEINSA-N 2 3 315.505 3.422 20 0 DGADHP C[N@@H+]1CC[C@@H](NCc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000573250096 434884298 /nfs/dbraw/zinc/88/42/98/434884298.db2.gz YQKCMFGFJQHNBU-UXHICEINSA-N 2 3 309.457 3.070 20 0 DGADHP C[N@H+]1CC[C@@H](NCc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000573250096 434884300 /nfs/dbraw/zinc/88/43/00/434884300.db2.gz YQKCMFGFJQHNBU-UXHICEINSA-N 2 3 309.457 3.070 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000643502696 435339750 /nfs/dbraw/zinc/33/97/50/435339750.db2.gz OEOARMKDOWWMQC-IOJLRTSASA-N 2 3 315.505 3.161 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000643502696 435339753 /nfs/dbraw/zinc/33/97/53/435339753.db2.gz OEOARMKDOWWMQC-IOJLRTSASA-N 2 3 315.505 3.161 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000643522590 435341254 /nfs/dbraw/zinc/34/12/54/435341254.db2.gz PTCVEINPFFEZRG-XEVCZEQESA-N 2 3 315.505 3.161 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000643522590 435341257 /nfs/dbraw/zinc/34/12/57/435341257.db2.gz PTCVEINPFFEZRG-XEVCZEQESA-N 2 3 315.505 3.161 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568901075 435482417 /nfs/dbraw/zinc/48/24/17/435482417.db2.gz LNONUTCCJBHSFJ-NSISKUIASA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568901075 435482421 /nfs/dbraw/zinc/48/24/21/435482421.db2.gz LNONUTCCJBHSFJ-NSISKUIASA-N 2 3 315.505 3.421 20 0 DGADHP CC1CC[NH+](Cc2cccc(CN[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000568248290 315496328 /nfs/dbraw/zinc/49/63/28/315496328.db2.gz MIFQNZDAWMTAQR-UXHICEINSA-N 2 3 315.505 3.278 20 0 DGADHP CCNCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000583018736 324302398 /nfs/dbraw/zinc/30/23/98/324302398.db2.gz MPNXZBCZZJXHDK-UHFFFAOYSA-N 2 3 303.494 3.019 20 0 DGADHP CCNCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000583018736 324302400 /nfs/dbraw/zinc/30/24/00/324302400.db2.gz MPNXZBCZZJXHDK-UHFFFAOYSA-N 2 3 303.494 3.019 20 0 DGADHP CC1(C)C[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925655457 627771349 /nfs/dbraw/zinc/77/13/49/627771349.db2.gz VHTLPISEHJBFAQ-QRVBRYPASA-N 2 3 315.505 3.004 20 0 DGADHP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001575943627 1191518069 /nfs/dbraw/zinc/51/80/69/1191518069.db2.gz ZFUSYWVRSYMQMA-FFGOWVMKSA-N 2 3 315.505 3.147 20 0 DGADHP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001208601707 1092421747 /nfs/dbraw/zinc/42/17/47/1092421747.db2.gz RKFPYIYTBKFJMG-OALUTQOASA-N 2 3 307.526 3.057 20 0 DGADHP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001208601707 1092421754 /nfs/dbraw/zinc/42/17/54/1092421754.db2.gz RKFPYIYTBKFJMG-OALUTQOASA-N 2 3 307.526 3.057 20 0 DGADHP CC(C)C1=[NH+]CCc2ccc(CN3CCCC[C@@H](C[NH3+])C3)cc21 ZINC001206640720 1092889626 /nfs/dbraw/zinc/88/96/26/1092889626.db2.gz LVJHVISUGNWGMP-KRWDZBQOSA-N 2 3 313.489 3.249 20 0 DGADHP C(C[NH2+]C1CCCCC1)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426118 1099018482 /nfs/dbraw/zinc/01/84/82/1099018482.db2.gz NHDKAWRIYDMPBH-ZWKOTPCHSA-N 2 3 307.526 3.010 20 0 DGADHP Cc1ccc(C[N@H+](C[C@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713418 1099753270 /nfs/dbraw/zinc/75/32/70/1099753270.db2.gz CDHMRAUCNXLHFP-UFYCRDLUSA-N 2 3 315.505 3.067 20 0 DGADHP Cc1ccc(C[N@@H+](C[C@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713418 1099753278 /nfs/dbraw/zinc/75/32/78/1099753278.db2.gz CDHMRAUCNXLHFP-UFYCRDLUSA-N 2 3 315.505 3.067 20 0 DGADHP NCCC[N@H+](C1CCCCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246184078 1104426365 /nfs/dbraw/zinc/42/63/65/1104426365.db2.gz ZGRXCVZYZJTYBV-UHFFFAOYSA-N 2 3 307.526 3.282 20 0 DGADHP NCCC[N@@H+](C1CCCCC1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246184078 1104426371 /nfs/dbraw/zinc/42/63/71/1104426371.db2.gz ZGRXCVZYZJTYBV-UHFFFAOYSA-N 2 3 307.526 3.282 20 0 DGADHP C[C@H]1CCCCN1CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246195004 1104431316 /nfs/dbraw/zinc/43/13/16/1104431316.db2.gz MBNMDCVYAOQYMK-KRWDZBQOSA-N 2 3 307.526 3.153 20 0 DGADHP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CCN1 ZINC001246245383 1104457043 /nfs/dbraw/zinc/45/70/43/1104457043.db2.gz ROMUNWMEXQBDKR-PASDCYSWSA-N 2 3 309.542 3.286 20 0 DGADHP CC(C)(C)[C@H]1C[C@H]([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CCN1 ZINC001246245385 1104457259 /nfs/dbraw/zinc/45/72/59/1104457259.db2.gz ROMUNWMEXQBDKR-YYAJDYIMSA-N 2 3 309.542 3.286 20 0 DGADHP CC[NH+](CC)CC[C@H](C)N[C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC001246249275 1104458734 /nfs/dbraw/zinc/45/87/34/1104458734.db2.gz ILZGBUDNQIMLBY-FXAWDEMLSA-N 2 3 317.521 3.437 20 0 DGADHP CCN(CC)CC[C@H](C)[NH2+][C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC001246249275 1104458738 /nfs/dbraw/zinc/45/87/38/1104458738.db2.gz ILZGBUDNQIMLBY-FXAWDEMLSA-N 2 3 317.521 3.437 20 0 DGADHP C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246336269 1104497795 /nfs/dbraw/zinc/49/77/95/1104497795.db2.gz NZLBJFGHOZOPGF-RLLQIKCJSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246336269 1104497801 /nfs/dbraw/zinc/49/78/01/1104497801.db2.gz NZLBJFGHOZOPGF-RLLQIKCJSA-N 2 3 315.505 3.006 20 0 DGADHP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246366677 1104510918 /nfs/dbraw/zinc/51/09/18/1104510918.db2.gz PMBLYHMIGABKCU-WOJBJXKFSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CC(N[C@H](CC2CC[NH2+]CC2)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246397294 1104525582 /nfs/dbraw/zinc/52/55/82/1104525582.db2.gz RFBXVYBZTYLOAH-JXXFODFXSA-N 2 3 315.505 3.236 20 0 DGADHP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246448176 1104543508 /nfs/dbraw/zinc/54/35/08/1104543508.db2.gz RRVSZZDSTRFJSP-FRYIKTPZSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246448176 1104543516 /nfs/dbraw/zinc/54/35/16/1104543516.db2.gz RRVSZZDSTRFJSP-FRYIKTPZSA-N 2 3 315.505 3.207 20 0 DGADHP CC1(C)C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246541064 1104586409 /nfs/dbraw/zinc/58/64/09/1104586409.db2.gz LMEKPVSWBGGTNB-RBUKOAKNSA-N 2 3 315.505 3.243 20 0 DGADHP CC1(C)C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246541064 1104586417 /nfs/dbraw/zinc/58/64/17/1104586417.db2.gz LMEKPVSWBGGTNB-RBUKOAKNSA-N 2 3 315.505 3.243 20 0 DGADHP C[C@@H]1CC([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001246546656 1104588016 /nfs/dbraw/zinc/58/80/16/1104588016.db2.gz NCKWPCRCMPECAL-LMMKCTJWSA-N 2 3 315.505 3.241 20 0 DGADHP C[C@@H]1CC([N@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001246546656 1104588027 /nfs/dbraw/zinc/58/80/27/1104588027.db2.gz NCKWPCRCMPECAL-LMMKCTJWSA-N 2 3 315.505 3.241 20 0 DGADHP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@@]23CCCNC3)CC1 ZINC001246650469 1104647767 /nfs/dbraw/zinc/64/77/67/1104647767.db2.gz INSFTSSCHGXZLR-ACBHZAAOSA-N 2 3 307.526 3.248 20 0 DGADHP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@]23CCCNC3)CC1 ZINC001246650469 1104647771 /nfs/dbraw/zinc/64/77/71/1104647771.db2.gz INSFTSSCHGXZLR-ACBHZAAOSA-N 2 3 307.526 3.248 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246653610 1104649482 /nfs/dbraw/zinc/64/94/82/1104649482.db2.gz IMDRFIJBZQQZBR-GUDVDZBRSA-N 2 3 307.526 3.151 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246653610 1104649488 /nfs/dbraw/zinc/64/94/88/1104649488.db2.gz IMDRFIJBZQQZBR-GUDVDZBRSA-N 2 3 307.526 3.151 20 0 DGADHP CC[C@H]1C[C@H]([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CCN1 ZINC001246902201 1104728743 /nfs/dbraw/zinc/72/87/43/1104728743.db2.gz QOTBOSINLCEMBK-VQTJNVASSA-N 2 3 321.553 3.351 20 0 DGADHP CC[C@H]1C[C@H](N2CCC(CC3CC[NH+](CC)CC3)CC2)CC[NH2+]1 ZINC001246902201 1104728748 /nfs/dbraw/zinc/72/87/48/1104728748.db2.gz QOTBOSINLCEMBK-VQTJNVASSA-N 2 3 321.553 3.351 20 0 DGADHP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3CCNC(C)(C)C3)CC2)CC1 ZINC001246902297 1104728834 /nfs/dbraw/zinc/72/88/34/1104728834.db2.gz QXFITPHLCMECNJ-LJQANCHMSA-N 2 3 321.553 3.351 20 0 DGADHP CC(C)(C)N1CCC([NH2+]CC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001256565977 1106446918 /nfs/dbraw/zinc/44/69/18/1106446918.db2.gz OPNWOFGMDQNDOB-UHFFFAOYSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422781662 278226438 /nfs/dbraw/zinc/22/64/38/278226438.db2.gz MCFQSRULEAUDBU-IRXDYDNUSA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297652609 279101668 /nfs/dbraw/zinc/10/16/68/279101668.db2.gz NIMDYMGAFSEZNU-KRWDZBQOSA-N 2 3 318.509 3.151 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453403507 433158346 /nfs/dbraw/zinc/15/83/46/433158346.db2.gz OOXJUGBPYLUXFP-YLJYHZDGSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453403507 433158355 /nfs/dbraw/zinc/15/83/55/433158355.db2.gz OOXJUGBPYLUXFP-YLJYHZDGSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCC[N@H+](C)C2CC2)CC1 ZINC000453403507 433158364 /nfs/dbraw/zinc/15/83/64/433158364.db2.gz OOXJUGBPYLUXFP-YLJYHZDGSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCC[N@@H+](C)C2CC2)CC1 ZINC000453403507 433158374 /nfs/dbraw/zinc/15/83/74/433158374.db2.gz OOXJUGBPYLUXFP-YLJYHZDGSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421375603 433519252 /nfs/dbraw/zinc/51/92/52/433519252.db2.gz QPHFOKSJNMMRIN-CLPROHDKSA-N 2 3 321.553 3.492 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421375605 433520117 /nfs/dbraw/zinc/52/01/17/433520117.db2.gz QPHFOKSJNMMRIN-KTLDDFEXSA-N 2 3 321.553 3.492 20 0 DGADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000356900335 433758947 /nfs/dbraw/zinc/75/89/47/433758947.db2.gz YOJXANVNKLBTIE-YLJYHZDGSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000356900335 433758958 /nfs/dbraw/zinc/75/89/58/433758958.db2.gz YOJXANVNKLBTIE-YLJYHZDGSA-N 2 3 315.505 3.102 20 0 DGADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796760 434012096 /nfs/dbraw/zinc/01/20/96/434012096.db2.gz YYTRHOWZLIDUOG-WOJBJXKFSA-N 2 3 315.505 3.422 20 0 DGADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823714 434030192 /nfs/dbraw/zinc/03/01/92/434030192.db2.gz DZQXFSPZGMMHMT-FUHWJXTLSA-N 2 3 321.534 3.067 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)C1 ZINC000423556326 434488770 /nfs/dbraw/zinc/48/87/70/434488770.db2.gz YZYGLOMNUBAREP-QQBOBMDFSA-N 2 3 319.537 3.007 20 0 DGADHP C[N@@H+]1CC[C@@H](NCc2ccc(C[NH3+])cc2)C[C@@H]1c1ccccc1 ZINC000573250098 434884673 /nfs/dbraw/zinc/88/46/73/434884673.db2.gz YQKCMFGFJQHNBU-WOJBJXKFSA-N 2 3 309.457 3.070 20 0 DGADHP C[N@H+]1CC[C@@H](NCc2ccc(C[NH3+])cc2)C[C@@H]1c1ccccc1 ZINC000573250098 434884675 /nfs/dbraw/zinc/88/46/75/434884675.db2.gz YQKCMFGFJQHNBU-WOJBJXKFSA-N 2 3 309.457 3.070 20 0 DGADHP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000649411863 435580264 /nfs/dbraw/zinc/58/02/64/435580264.db2.gz KSFVPKOOQWHINF-AZUAARDMSA-N 2 3 321.553 3.353 20 0 DGADHP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000649411863 435580267 /nfs/dbraw/zinc/58/02/67/435580267.db2.gz KSFVPKOOQWHINF-AZUAARDMSA-N 2 3 321.553 3.353 20 0 DGADHP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520406823 435743112 /nfs/dbraw/zinc/74/31/12/435743112.db2.gz QUWVRYXNHHYXRV-DYESRHJHSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520406823 435743120 /nfs/dbraw/zinc/74/31/20/435743120.db2.gz QUWVRYXNHHYXRV-DYESRHJHSA-N 2 3 323.484 3.288 20 0 DGADHP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC[NH+](CC2CC2)CC1 ZINC000665299616 435944838 /nfs/dbraw/zinc/94/48/38/435944838.db2.gz QFUHYZOQPUSMDQ-XUVXKRRUSA-N 2 3 319.537 3.009 20 0 DGADHP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000647803182 436126218 /nfs/dbraw/zinc/12/62/18/436126218.db2.gz LCTCEVOTANFTHR-DYESRHJHSA-N 2 3 323.484 3.146 20 0 DGADHP CC1CC[NH+](Cc2ccccc2CN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000584361563 337101704 /nfs/dbraw/zinc/10/17/04/337101704.db2.gz VMMMOXDANMYLMY-PMACEKPBSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)CN1CCCC1 ZINC000886507560 627154633 /nfs/dbraw/zinc/15/46/33/627154633.db2.gz PPWIDZHVGPPQGH-VIQWUECVSA-N 2 3 307.526 3.105 20 0 DGADHP C[C@@H](CN[C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000925485618 627741024 /nfs/dbraw/zinc/74/10/24/627741024.db2.gz OMAFZQSPEDZIHC-PKOBYXMFSA-N 2 3 303.494 3.178 20 0 DGADHP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)CN1CCCCC1 ZINC000925485618 627741027 /nfs/dbraw/zinc/74/10/27/627741027.db2.gz OMAFZQSPEDZIHC-PKOBYXMFSA-N 2 3 303.494 3.178 20 0 DGADHP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925552970 627752980 /nfs/dbraw/zinc/75/29/80/627752980.db2.gz LWLCWSDHLQOWIT-FJIDUMEYSA-N 2 3 307.526 3.007 20 0 DGADHP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925552970 627752981 /nfs/dbraw/zinc/75/29/81/627752981.db2.gz LWLCWSDHLQOWIT-FJIDUMEYSA-N 2 3 307.526 3.007 20 0 DGADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925553859 627753181 /nfs/dbraw/zinc/75/31/81/627753181.db2.gz SRXXMUAFPGVIKE-UXHICEINSA-N 2 3 321.553 3.256 20 0 DGADHP CC(C)(CN[C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925650261 627770312 /nfs/dbraw/zinc/77/03/12/627770312.db2.gz NBPJOKVTVYYWQT-GOSISDBHSA-N 2 3 303.494 3.178 20 0 DGADHP CC(C)(C[NH2+][C@H](CCC[NH3+])c1ccccc1)CN1CCCC1 ZINC000925650261 627770315 /nfs/dbraw/zinc/77/03/15/627770315.db2.gz NBPJOKVTVYYWQT-GOSISDBHSA-N 2 3 303.494 3.178 20 0 DGADHP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925820501 627799974 /nfs/dbraw/zinc/79/99/74/627799974.db2.gz CWEQFVSCSPBSFJ-PBIMCDDKSA-N 2 3 319.537 3.150 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000844222099 630712992 /nfs/dbraw/zinc/71/29/92/630712992.db2.gz UIIGKCJNPKFUAC-MOPGFXCFSA-N 2 3 309.542 3.482 20 0 DGADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000844222099 630712993 /nfs/dbraw/zinc/71/29/93/630712993.db2.gz UIIGKCJNPKFUAC-MOPGFXCFSA-N 2 3 309.542 3.482 20 0 DGADHP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205254770 1091151950 /nfs/dbraw/zinc/15/19/50/1091151950.db2.gz AYTUZTVBERTFPN-WOJBJXKFSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205254770 1091151955 /nfs/dbraw/zinc/15/19/55/1091151955.db2.gz AYTUZTVBERTFPN-WOJBJXKFSA-N 2 3 315.505 3.102 20 0 DGADHP CC(C)C1=[NH+]CCc2ccc(CN3CCC[C@](C)([NH3+])CC3)cc21 ZINC001205288609 1091165923 /nfs/dbraw/zinc/16/59/23/1091165923.db2.gz MCNJONVLNPZIQF-FQEVSTJZSA-N 2 3 313.489 3.391 20 0 DGADHP CC[C@H](N)C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303955 1099523905 /nfs/dbraw/zinc/52/39/05/1099523905.db2.gz FQKHSBJIOSISFH-IBGZPJMESA-N 2 3 315.505 3.102 20 0 DGADHP CC[C@H](N)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303955 1099523915 /nfs/dbraw/zinc/52/39/15/1099523915.db2.gz FQKHSBJIOSISFH-IBGZPJMESA-N 2 3 315.505 3.102 20 0 DGADHP CN1C(C)(C)CC([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CC1(C)C ZINC001246126741 1104397557 /nfs/dbraw/zinc/39/75/57/1104397557.db2.gz HNCAUSQHWANUKK-OAHLLOKOSA-N 2 3 307.526 3.150 20 0 DGADHP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246208010 1104436881 /nfs/dbraw/zinc/43/68/81/1104436881.db2.gz ZUIOQEKUVHDEIA-PSBWJHGTSA-N 2 3 315.505 3.288 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CCN1 ZINC001246243269 1104455029 /nfs/dbraw/zinc/45/50/29/1104455029.db2.gz IXJUYNKXMFZTEB-VXIBKDFQSA-N 2 3 309.542 3.431 20 0 DGADHP CC(C)(C)[C@H]1C[C@H]([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CCN1 ZINC001246245382 1104457169 /nfs/dbraw/zinc/45/71/69/1104457169.db2.gz ROMUNWMEXQBDKR-OLMMMNRUSA-N 2 3 309.542 3.286 20 0 DGADHP C[C@H]1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407045 1104529439 /nfs/dbraw/zinc/52/94/39/1104529439.db2.gz SONXQIPPDBECJH-QZHFEQFPSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407045 1104529450 /nfs/dbraw/zinc/52/94/50/1104529450.db2.gz SONXQIPPDBECJH-QZHFEQFPSA-N 2 3 319.468 3.038 20 0 DGADHP CC(C)[N@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@H]1CCCNCC1 ZINC001246593433 1104609370 /nfs/dbraw/zinc/60/93/70/1104609370.db2.gz NCSQQDMQOOZYTR-KRWDZBQOSA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@H]1CCCNCC1 ZINC001246593433 1104609375 /nfs/dbraw/zinc/60/93/75/1104609375.db2.gz NCSQQDMQOOZYTR-KRWDZBQOSA-N 2 3 307.526 3.151 20 0 DGADHP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246653614 1104649049 /nfs/dbraw/zinc/64/90/49/1104649049.db2.gz IMDRFIJBZQQZBR-QYZOEREBSA-N 2 3 307.526 3.151 20 0 DGADHP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246653614 1104649055 /nfs/dbraw/zinc/64/90/55/1104649055.db2.gz IMDRFIJBZQQZBR-QYZOEREBSA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)CN1CCC([N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246934201 1104742951 /nfs/dbraw/zinc/74/29/51/1104742951.db2.gz AEHKHKDXCZXGEN-GOSISDBHSA-N 2 3 321.553 3.351 20 0 DGADHP CC(C)CN1CCC([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246934201 1104742955 /nfs/dbraw/zinc/74/29/55/1104742955.db2.gz AEHKHKDXCZXGEN-GOSISDBHSA-N 2 3 321.553 3.351 20 0 DGADHP CCCC[C@@H]1C[C@@H](N2CCC(CC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246979026 1104759890 /nfs/dbraw/zinc/75/98/90/1104759890.db2.gz LCZOAVHILNFPHJ-UXHICEINSA-N 2 3 321.553 3.399 20 0 DGADHP CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001255947270 1106346336 /nfs/dbraw/zinc/34/63/36/1106346336.db2.gz QHJULLSAGDKNJT-QGZVFWFLSA-N 2 3 305.510 3.001 20 0 DGADHP CC(C)CN1CCC([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001258008055 1106657396 /nfs/dbraw/zinc/65/73/96/1106657396.db2.gz BVFXKKSRMVWNQD-UHFFFAOYSA-N 2 3 323.569 3.455 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635006739 401400755 /nfs/dbraw/zinc/40/07/55/401400755.db2.gz NDEQQFITDGQTFB-LSTDLKDCSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635006738 401400914 /nfs/dbraw/zinc/40/09/14/401400914.db2.gz NDEQQFITDGQTFB-DWRORGKVSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459791864 287311201 /nfs/dbraw/zinc/31/12/01/287311201.db2.gz SAPIGNDGSVIXHT-QWFCFKBJSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459791864 287311203 /nfs/dbraw/zinc/31/12/03/287311203.db2.gz SAPIGNDGSVIXHT-QWFCFKBJSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000423034419 279256163 /nfs/dbraw/zinc/25/61/63/279256163.db2.gz PXCVPBRAGNAQCD-BTHPGYMESA-N 2 3 315.505 3.004 20 0 DGADHP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000336719374 433188848 /nfs/dbraw/zinc/18/88/48/433188848.db2.gz RYRUPTDLASMXCQ-MJGOQNOKSA-N 2 3 303.494 3.006 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)C1 ZINC000356779781 433691562 /nfs/dbraw/zinc/69/15/62/433691562.db2.gz PCAMSZJCILSTGR-MJGOQNOKSA-N 2 3 321.553 3.351 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422735043 433959728 /nfs/dbraw/zinc/95/97/28/433959728.db2.gz UIVAEENDBOVRSZ-LSDHHAIUSA-N 2 3 306.498 3.010 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000414962647 293896066 /nfs/dbraw/zinc/89/60/66/293896066.db2.gz JXZQSSGHYBNHRH-ZHALLVOQSA-N 2 3 307.526 3.151 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422878688 434077736 /nfs/dbraw/zinc/07/77/36/434077736.db2.gz JQRFKXSKHJMGDU-CVEARBPZSA-N 2 3 318.509 3.154 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422878688 434077742 /nfs/dbraw/zinc/07/77/42/434077742.db2.gz JQRFKXSKHJMGDU-CVEARBPZSA-N 2 3 318.509 3.154 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422890335 434087933 /nfs/dbraw/zinc/08/79/33/434087933.db2.gz IEBNYYOETWEPEK-BDXSIMOUSA-N 2 3 317.521 3.380 20 0 DGADHP C[NH+](C)C1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000353522014 434196676 /nfs/dbraw/zinc/19/66/76/434196676.db2.gz TWNLRPXCPREMLR-UHFFFAOYSA-N 2 3 307.526 3.246 20 0 DGADHP C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000397493831 434437923 /nfs/dbraw/zinc/43/79/23/434437923.db2.gz NVZVEVJMVDZXEZ-YLJYHZDGSA-N 2 3 315.505 3.019 20 0 DGADHP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520406825 435744624 /nfs/dbraw/zinc/74/46/24/435744624.db2.gz QUWVRYXNHHYXRV-UTKZUKDTSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520406825 435744634 /nfs/dbraw/zinc/74/46/34/435744634.db2.gz QUWVRYXNHHYXRV-UTKZUKDTSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)C1 ZINC000650764057 436024170 /nfs/dbraw/zinc/02/41/70/436024170.db2.gz PLKNNROCTNMIMO-QFBILLFUSA-N 2 3 307.526 3.009 20 0 DGADHP [NH3+][C@H]1CCC[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000566483002 315351480 /nfs/dbraw/zinc/35/14/80/315351480.db2.gz QWVMDOAYYXAJIR-VQTJNVASSA-N 2 3 315.505 3.422 20 0 DGADHP CCCN1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000122988498 545903701 /nfs/dbraw/zinc/90/37/01/545903701.db2.gz AMQGMNXNGAULLV-UHFFFAOYSA-N 2 3 315.505 3.246 20 0 DGADHP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889351 619826159 /nfs/dbraw/zinc/82/61/59/619826159.db2.gz RGDKOPHMXAHLBQ-WSCSCYJOSA-N 2 3 319.537 3.103 20 0 DGADHP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889351 619826162 /nfs/dbraw/zinc/82/61/62/619826162.db2.gz RGDKOPHMXAHLBQ-WSCSCYJOSA-N 2 3 319.537 3.103 20 0 DGADHP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616155 627763823 /nfs/dbraw/zinc/76/38/23/627763823.db2.gz KJZMYKQKRDXLLS-AZUAARDMSA-N 2 3 317.521 3.424 20 0 DGADHP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616155 627763824 /nfs/dbraw/zinc/76/38/24/627763824.db2.gz KJZMYKQKRDXLLS-AZUAARDMSA-N 2 3 317.521 3.424 20 0 DGADHP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000925655448 627770935 /nfs/dbraw/zinc/77/09/35/627770935.db2.gz VHTLPISEHJBFAQ-GUDVDZBRSA-N 2 3 315.505 3.004 20 0 DGADHP [NH3+]CCCCCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000844221995 630712961 /nfs/dbraw/zinc/71/29/61/630712961.db2.gz PZVFJWWUKUQNBN-LJQANCHMSA-N 2 3 309.542 3.484 20 0 DGADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262099724 657357815 /nfs/dbraw/zinc/35/78/15/657357815.db2.gz ITHOTKANBGQRPO-VQIMIIECSA-N 2 3 303.494 3.136 20 0 DGADHP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001576747738 1191867043 /nfs/dbraw/zinc/86/70/43/1191867043.db2.gz CZZYNZHRUDXJLR-UWVAXJGDSA-N 2 3 315.505 3.149 20 0 DGADHP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001575943629 1191517770 /nfs/dbraw/zinc/51/77/70/1191517770.db2.gz ZFUSYWVRSYMQMA-LEAZDLGRSA-N 2 3 315.505 3.147 20 0 DGADHP C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(C2CCC2)C1 ZINC001576244591 1191545872 /nfs/dbraw/zinc/54/58/72/1191545872.db2.gz MBZYPSMJASCHAD-BJFGVTRDSA-N 2 3 319.537 3.150 20 0 DGADHP C[C@@H]([NH2+]CC(C)(C)CN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001576240153 1191547199 /nfs/dbraw/zinc/54/71/99/1191547199.db2.gz VQDHBWQRVJUMCV-IEBWSBKVSA-N 2 3 317.521 3.122 20 0 DGADHP C[NH+](C)C1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001168315749 1087292038 /nfs/dbraw/zinc/29/20/38/1087292038.db2.gz NAEDAEMPCOZIQF-ZJRDLVKKSA-N 2 3 319.537 3.270 20 0 DGADHP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205254768 1091151600 /nfs/dbraw/zinc/15/16/00/1091151600.db2.gz AYTUZTVBERTFPN-UXHICEINSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205254768 1091151605 /nfs/dbraw/zinc/15/16/05/1091151605.db2.gz AYTUZTVBERTFPN-UXHICEINSA-N 2 3 315.505 3.102 20 0 DGADHP CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207487294 1091985352 /nfs/dbraw/zinc/98/53/52/1091985352.db2.gz WZBVNLQNIDTJCV-RBUKOAKNSA-N 2 3 307.526 3.057 20 0 DGADHP CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487294 1091985357 /nfs/dbraw/zinc/98/53/57/1091985357.db2.gz WZBVNLQNIDTJCV-RBUKOAKNSA-N 2 3 307.526 3.057 20 0 DGADHP CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110201 1092199030 /nfs/dbraw/zinc/19/90/30/1092199030.db2.gz XIPZWRGYWPNUHN-ZWKOTPCHSA-N 2 3 307.526 3.057 20 0 DGADHP CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208110201 1092199038 /nfs/dbraw/zinc/19/90/38/1092199038.db2.gz XIPZWRGYWPNUHN-ZWKOTPCHSA-N 2 3 307.526 3.057 20 0 DGADHP CC(C)C1=[NH+]CCc2ccc(CN3CCCC[C@H](C[NH3+])C3)cc21 ZINC001206640721 1092889649 /nfs/dbraw/zinc/88/96/49/1092889649.db2.gz LVJHVISUGNWGMP-QGZVFWFLSA-N 2 3 313.489 3.249 20 0 DGADHP C(CN1CCCCC1)C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372310 1099557057 /nfs/dbraw/zinc/55/70/57/1099557057.db2.gz CLLGASOGNGXFNR-SFHVURJKSA-N 2 3 307.526 3.107 20 0 DGADHP C(CN1CCCCC1)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372310 1099557064 /nfs/dbraw/zinc/55/70/64/1099557064.db2.gz CLLGASOGNGXFNR-SFHVURJKSA-N 2 3 307.526 3.107 20 0 DGADHP Cc1ccccc1C[N@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554759 1099677944 /nfs/dbraw/zinc/67/79/44/1099677944.db2.gz UPDQBHMDIPWELA-MISYRCLQSA-N 2 3 315.505 3.067 20 0 DGADHP Cc1ccccc1C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554759 1099677948 /nfs/dbraw/zinc/67/79/48/1099677948.db2.gz UPDQBHMDIPWELA-MISYRCLQSA-N 2 3 315.505 3.067 20 0 DGADHP Cc1cccc(C[N@H+](C[C@@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726626 1099761534 /nfs/dbraw/zinc/76/15/34/1099761534.db2.gz LJRDULOFYNMPAT-VAMGGRTRSA-N 2 3 315.505 3.067 20 0 DGADHP Cc1cccc(C[N@@H+](C[C@@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726626 1099761542 /nfs/dbraw/zinc/76/15/42/1099761542.db2.gz LJRDULOFYNMPAT-VAMGGRTRSA-N 2 3 315.505 3.067 20 0 DGADHP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC001246071813 1104364619 /nfs/dbraw/zinc/36/46/19/1104364619.db2.gz AWGUKMVKTGCEAG-FXAWDEMLSA-N 2 3 315.505 3.019 20 0 DGADHP CC(C)[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246251231 1104459317 /nfs/dbraw/zinc/45/93/17/1104459317.db2.gz ODYKRKSADLQMFG-SLFFLAALSA-N 2 3 315.505 3.094 20 0 DGADHP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001246564332 1104597391 /nfs/dbraw/zinc/59/73/91/1104597391.db2.gz MVLOCZWRZFKRQD-YZGWKJHDSA-N 2 3 315.505 3.100 20 0 DGADHP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001246564332 1104597397 /nfs/dbraw/zinc/59/73/97/1104597397.db2.gz MVLOCZWRZFKRQD-YZGWKJHDSA-N 2 3 315.505 3.100 20 0 DGADHP [NH3+]C[C@H]1CCCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001246591384 1104610478 /nfs/dbraw/zinc/61/04/78/1104610478.db2.gz IQHCNDWYYFKANX-WOJBJXKFSA-N 2 3 315.505 3.102 20 0 DGADHP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001246591384 1104610483 /nfs/dbraw/zinc/61/04/83/1104610483.db2.gz IQHCNDWYYFKANX-WOJBJXKFSA-N 2 3 315.505 3.102 20 0 DGADHP CC[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)N1 ZINC001246782821 1104672113 /nfs/dbraw/zinc/67/21/13/1104672113.db2.gz UYDZAGXXCSSYQI-REPLKXPHSA-N 2 3 309.542 3.348 20 0 DGADHP CC[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)N1 ZINC001246782821 1104672118 /nfs/dbraw/zinc/67/21/18/1104672118.db2.gz UYDZAGXXCSSYQI-REPLKXPHSA-N 2 3 309.542 3.348 20 0 DGADHP C[C@@H]1C[C@H](NCc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256529090 1106434627 /nfs/dbraw/zinc/43/46/27/1106434627.db2.gz QCTWMYCNFMKPFR-DYESRHJHSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@@H]1C[C@H](NCc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529090 1106434629 /nfs/dbraw/zinc/43/46/29/1106434629.db2.gz QCTWMYCNFMKPFR-DYESRHJHSA-N 2 3 323.484 3.288 20 0 DGADHP C[NH+](C)Cc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC001256561686 1106444823 /nfs/dbraw/zinc/44/48/23/1106444823.db2.gz CTJCVWZIJXIJPH-UHFFFAOYSA-N 2 3 317.521 3.143 20 0 DGADHP CC(C)N1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001257202258 1106550665 /nfs/dbraw/zinc/55/06/65/1106550665.db2.gz LZQBOWVYJYZYSP-UHFFFAOYSA-N 2 3 315.505 3.245 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC001258898059 1107047559 /nfs/dbraw/zinc/04/75/59/1107047559.db2.gz FRJXAGISBOKYEW-CEXWTWQISA-N 2 3 311.558 3.455 20 0 DGADHP C[N@@H+]1CCCC[C@@H]1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587950 530052428 /nfs/dbraw/zinc/05/24/28/530052428.db2.gz BXQIARSGBFDRIH-HXUWFJFHSA-N 2 3 321.553 3.449 20 0 DGADHP C[N@H+]1CCCC[C@@H]1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587950 530052429 /nfs/dbraw/zinc/05/24/29/530052429.db2.gz BXQIARSGBFDRIH-HXUWFJFHSA-N 2 3 321.553 3.449 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423542674 296329200 /nfs/dbraw/zinc/32/92/00/296329200.db2.gz MMBCIASXSGJBPM-VROUVPMXSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000423034420 298399415 /nfs/dbraw/zinc/39/94/15/298399415.db2.gz PXCVPBRAGNAQCD-GSEOLPGOSA-N 2 3 315.505 3.004 20 0 DGADHP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000422688088 276110220 /nfs/dbraw/zinc/11/02/20/276110220.db2.gz CMPXPDLWVBXESQ-RTBURBONSA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422794386 279256945 /nfs/dbraw/zinc/25/69/45/279256945.db2.gz YSFNQXNSSYWHCO-IPMKNSEASA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]([NH3+])C[C@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422735566 433960122 /nfs/dbraw/zinc/96/01/22/433960122.db2.gz FGBGDQPHBHUWIJ-SJORKVTESA-N 2 3 303.494 3.134 20 0 DGADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422829608 434033569 /nfs/dbraw/zinc/03/35/69/434033569.db2.gz PZEFYHFUYGKAJB-IAGOWNOFSA-N 2 3 303.494 3.278 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422858448 434059642 /nfs/dbraw/zinc/05/96/42/434059642.db2.gz IRHPKZSIIPTLIA-VQIMIIECSA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422858448 434059649 /nfs/dbraw/zinc/05/96/49/434059649.db2.gz IRHPKZSIIPTLIA-VQIMIIECSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422968476 434145537 /nfs/dbraw/zinc/14/55/37/434145537.db2.gz RDKCAYRGMPMSAC-MKCYZYCBSA-N 2 3 307.526 3.150 20 0 DGADHP N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422789468 295315780 /nfs/dbraw/zinc/31/57/80/295315780.db2.gz WTDCIAGNJGWLLA-RTBURBONSA-N 2 3 301.478 3.032 20 0 DGADHP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000643536385 435347762 /nfs/dbraw/zinc/34/77/62/435347762.db2.gz QDRUKHZEWBNNSR-KRWDZBQOSA-N 2 3 321.553 3.397 20 0 DGADHP CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000643536385 435347766 /nfs/dbraw/zinc/34/77/66/435347766.db2.gz QDRUKHZEWBNNSR-KRWDZBQOSA-N 2 3 321.553 3.397 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650763699 436025154 /nfs/dbraw/zinc/02/51/54/436025154.db2.gz HGQNVFWAIFEMHK-QFBILLFUSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC2CC[NH2+]CC2)CC1 ZINC000650763699 436025157 /nfs/dbraw/zinc/02/51/57/436025157.db2.gz HGQNVFWAIFEMHK-QFBILLFUSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000647803183 436125304 /nfs/dbraw/zinc/12/53/04/436125304.db2.gz LCTCEVOTANFTHR-LAUBAEHRSA-N 2 3 323.484 3.146 20 0 DGADHP CC1CC[NH+](Cc2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000574171016 315939488 /nfs/dbraw/zinc/93/94/88/315939488.db2.gz SEXLMEQACOPFLP-PMACEKPBSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000873219776 623077641 /nfs/dbraw/zinc/07/76/41/623077641.db2.gz FVETVYNTFRVYAD-GJYPPUQNSA-N 2 3 307.526 3.007 20 0 DGADHP C(CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC[NH+]1CCCCC1 ZINC000925488380 627741683 /nfs/dbraw/zinc/74/16/83/627741683.db2.gz SSSUHWNLUCNSBL-WOJBJXKFSA-N 2 3 321.553 3.401 20 0 DGADHP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000925655450 627771117 /nfs/dbraw/zinc/77/11/17/627771117.db2.gz VHTLPISEHJBFAQ-IPMKNSEASA-N 2 3 315.505 3.004 20 0 DGADHP C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000817984926 627983717 /nfs/dbraw/zinc/98/37/17/627983717.db2.gz CLFLTXPGKQUCIE-WSTZPKSXSA-N 2 3 319.537 3.009 20 0 DGADHP NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846219590 631215545 /nfs/dbraw/zinc/21/55/45/631215545.db2.gz CQUHEINRNNHLMN-WOJBJXKFSA-N 2 3 317.521 3.178 20 0 DGADHP NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219590 631215547 /nfs/dbraw/zinc/21/55/47/631215547.db2.gz CQUHEINRNNHLMN-WOJBJXKFSA-N 2 3 317.521 3.178 20 0 DGADHP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001576747736 1191867080 /nfs/dbraw/zinc/86/70/80/1191867080.db2.gz CZZYNZHRUDXJLR-HLIPFELVSA-N 2 3 315.505 3.149 20 0 DGADHP C[N@H+](CC1CC[NH+](C)CC1)C1CCN(C2CCCCC2)CC1 ZINC001207402105 1082986751 /nfs/dbraw/zinc/98/67/51/1082986751.db2.gz WMTBOBYCAFOOEA-UHFFFAOYSA-N 2 3 307.526 3.057 20 0 DGADHP C[N@@H+](CC1CC[NH+](C)CC1)C1CCN(C2CCCCC2)CC1 ZINC001207402105 1082986755 /nfs/dbraw/zinc/98/67/55/1082986755.db2.gz WMTBOBYCAFOOEA-UHFFFAOYSA-N 2 3 307.526 3.057 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497078 1090983086 /nfs/dbraw/zinc/98/30/86/1090983086.db2.gz LKKXAKYLNHZYEK-ICSRJNTNSA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497078 1090983092 /nfs/dbraw/zinc/98/30/92/1090983092.db2.gz LKKXAKYLNHZYEK-ICSRJNTNSA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+](CC)C1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC001173102456 1097329073 /nfs/dbraw/zinc/32/90/73/1097329073.db2.gz YGXSBPPDTBXEFU-LMDPOFIKSA-N 2 3 309.542 3.494 20 0 DGADHP C(C[NH2+]C1CCCCC1)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426112 1099020294 /nfs/dbraw/zinc/02/02/94/1099020294.db2.gz NHDKAWRIYDMPBH-QZTJIDSGSA-N 2 3 307.526 3.010 20 0 DGADHP CN(C)CC1(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CCCC1 ZINC001236369625 1099554679 /nfs/dbraw/zinc/55/46/79/1099554679.db2.gz BATPONYMLVZITE-GOSISDBHSA-N 2 3 321.553 3.353 20 0 DGADHP CN(C)CC1(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CCCC1 ZINC001236369625 1099554689 /nfs/dbraw/zinc/55/46/89/1099554689.db2.gz BATPONYMLVZITE-GOSISDBHSA-N 2 3 321.553 3.353 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCCN2)C2CCCCC2)CC1 ZINC001236565444 1099680404 /nfs/dbraw/zinc/68/04/04/1099680404.db2.gz GQDRKXUMUMOBPX-LNLFQRSKSA-N 2 3 307.526 3.423 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCCN2)C2CCCCC2)CC1 ZINC001236565444 1099680408 /nfs/dbraw/zinc/68/04/08/1099680408.db2.gz GQDRKXUMUMOBPX-LNLFQRSKSA-N 2 3 307.526 3.423 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CCN1 ZINC001246243251 1104455792 /nfs/dbraw/zinc/45/57/92/1104455792.db2.gz IXJUYNKXMFZTEB-MTNOOBJLSA-N 2 3 309.542 3.431 20 0 DGADHP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CCN1 ZINC001246245374 1104457737 /nfs/dbraw/zinc/45/77/37/1104457737.db2.gz ROMUNWMEXQBDKR-DRMAHVMPSA-N 2 3 309.542 3.286 20 0 DGADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@H](C)C3)C[C@H]2C)CN1 ZINC001246313449 1104483529 /nfs/dbraw/zinc/48/35/29/1104483529.db2.gz ZLKTXLBONXLIOV-NSNLRKJJSA-N 2 3 321.553 3.285 20 0 DGADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCN1 ZINC001246367883 1104511563 /nfs/dbraw/zinc/51/15/63/1104511563.db2.gz SJRFISHNWGFMNO-UXHICEINSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1C[C@@H](N[C@@H](CC2CC[NH2+]CC2)c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246397293 1104525957 /nfs/dbraw/zinc/52/59/57/1104525957.db2.gz RFBXVYBZTYLOAH-JSJNYSNDSA-N 2 3 315.505 3.236 20 0 DGADHP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@@H](C)C1 ZINC001246442357 1104542535 /nfs/dbraw/zinc/54/25/35/1104542535.db2.gz NMCSNPLCFYCGBG-LEAZDLGRSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN[C@@H](C)C1 ZINC001246442357 1104542537 /nfs/dbraw/zinc/54/25/37/1104542537.db2.gz NMCSNPLCFYCGBG-LEAZDLGRSA-N 2 3 315.505 3.207 20 0 DGADHP CC(C)N1CCC([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612432 1104628519 /nfs/dbraw/zinc/62/85/19/1104628519.db2.gz WCJGZIXLWRNYSW-LJQANCHMSA-N 2 3 307.526 3.105 20 0 DGADHP CC(C)N1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612432 1104628524 /nfs/dbraw/zinc/62/85/24/1104628524.db2.gz WCJGZIXLWRNYSW-LJQANCHMSA-N 2 3 307.526 3.105 20 0 DGADHP CC[NH+]1CCC(CC2CC[NH+](C3C[C@H](C)N[C@@H](C)C3)CC2)CC1 ZINC001246900286 1104728283 /nfs/dbraw/zinc/72/82/83/1104728283.db2.gz HLJPCIJEOGGRRN-IRXDYDNUSA-N 2 3 321.553 3.349 20 0 DGADHP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255384526 1106238505 /nfs/dbraw/zinc/23/85/05/1106238505.db2.gz YVGMWOYWUWHTJF-LJQANCHMSA-N 2 3 303.494 3.100 20 0 DGADHP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255384526 1106238509 /nfs/dbraw/zinc/23/85/09/1106238509.db2.gz YVGMWOYWUWHTJF-LJQANCHMSA-N 2 3 303.494 3.100 20 0 DGADHP C[C@H]1C[C@@H](NCc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256529093 1106434059 /nfs/dbraw/zinc/43/40/59/1106434059.db2.gz QCTWMYCNFMKPFR-UWJYYQICSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@H]1C[C@@H](NCc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529093 1106434062 /nfs/dbraw/zinc/43/40/62/1106434062.db2.gz QCTWMYCNFMKPFR-UWJYYQICSA-N 2 3 323.484 3.288 20 0 DGADHP C[N@H+](CCCC[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000453394332 433150961 /nfs/dbraw/zinc/15/09/61/433150961.db2.gz GPTXNZZLJUOEFI-UHFFFAOYSA-N 2 3 307.526 3.248 20 0 DGADHP C[N@@H+](CCCC[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000453394332 433150972 /nfs/dbraw/zinc/15/09/72/433150972.db2.gz GPTXNZZLJUOEFI-UHFFFAOYSA-N 2 3 307.526 3.248 20 0 DGADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422687695 433933692 /nfs/dbraw/zinc/93/36/92/433933692.db2.gz BVWSTGWUNXOTHH-QFBILLFUSA-N 2 3 303.494 3.006 20 0 DGADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422790253 434004879 /nfs/dbraw/zinc/00/48/79/434004879.db2.gz XLWXODSGEAFCCT-VQTJNVASSA-N 2 3 315.505 3.280 20 0 DGADHP CC[C@H](NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422826078 434032554 /nfs/dbraw/zinc/03/25/54/434032554.db2.gz KSIBBMRWLCPLGF-ROUUACIJSA-N 2 3 321.534 3.080 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422866861 434066969 /nfs/dbraw/zinc/06/69/69/434066969.db2.gz RANQUCHXLUWQTD-OALUTQOASA-N 2 3 303.494 3.276 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422866861 434066980 /nfs/dbraw/zinc/06/69/80/434066980.db2.gz RANQUCHXLUWQTD-OALUTQOASA-N 2 3 303.494 3.276 20 0 DGADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)C1 ZINC000422877376 434072155 /nfs/dbraw/zinc/07/21/55/434072155.db2.gz HWWHOUWOYNFIHW-JSJNYSNDSA-N 2 3 315.505 3.134 20 0 DGADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)C1 ZINC000422877376 434072161 /nfs/dbraw/zinc/07/21/61/434072161.db2.gz HWWHOUWOYNFIHW-JSJNYSNDSA-N 2 3 315.505 3.134 20 0 DGADHP C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000397493829 434438225 /nfs/dbraw/zinc/43/82/25/434438225.db2.gz NVZVEVJMVDZXEZ-PXNSSMCTSA-N 2 3 315.505 3.019 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000459782659 434718517 /nfs/dbraw/zinc/71/85/17/434718517.db2.gz MTPVPVSFOYWWHP-HBFSDRIKSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000459782659 434718523 /nfs/dbraw/zinc/71/85/23/434718523.db2.gz MTPVPVSFOYWWHP-HBFSDRIKSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000569724152 435557145 /nfs/dbraw/zinc/55/71/45/435557145.db2.gz ZMLXFPMVTGMESM-LAUBAEHRSA-N 2 3 323.484 3.146 20 0 DGADHP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000569724152 435557148 /nfs/dbraw/zinc/55/71/48/435557148.db2.gz ZMLXFPMVTGMESM-LAUBAEHRSA-N 2 3 323.484 3.146 20 0 DGADHP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000649411864 435580838 /nfs/dbraw/zinc/58/08/38/435580838.db2.gz KSFVPKOOQWHINF-ICSRJNTNSA-N 2 3 321.553 3.353 20 0 DGADHP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000649411864 435580840 /nfs/dbraw/zinc/58/08/40/435580840.db2.gz KSFVPKOOQWHINF-ICSRJNTNSA-N 2 3 321.553 3.353 20 0 DGADHP CC(C)NCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000576976128 316189346 /nfs/dbraw/zinc/18/93/46/316189346.db2.gz NSMASHCCRCRNER-UHFFFAOYSA-N 2 3 317.521 3.407 20 0 DGADHP CC(C)NCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000576976128 316189349 /nfs/dbraw/zinc/18/93/49/316189349.db2.gz NSMASHCCRCRNER-UHFFFAOYSA-N 2 3 317.521 3.407 20 0 DGADHP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925731345 618583296 /nfs/dbraw/zinc/58/32/96/618583296.db2.gz APUJJSAGYXGXQF-YBXZHIRMSA-N 2 3 307.526 3.007 20 0 DGADHP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492336 621215124 /nfs/dbraw/zinc/21/51/24/621215124.db2.gz HTDSLEUESWMYGW-PKOBYXMFSA-N 2 3 303.494 3.177 20 0 DGADHP CC(C)[N@H+]1CCC[C@@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492336 621215126 /nfs/dbraw/zinc/21/51/26/621215126.db2.gz HTDSLEUESWMYGW-PKOBYXMFSA-N 2 3 303.494 3.177 20 0 DGADHP CC(C)N1CCC[C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492336 621215128 /nfs/dbraw/zinc/21/51/28/621215128.db2.gz HTDSLEUESWMYGW-PKOBYXMFSA-N 2 3 303.494 3.177 20 0 DGADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925820505 627799595 /nfs/dbraw/zinc/79/95/95/627799595.db2.gz CWEQFVSCSPBSFJ-QGRXYFRJSA-N 2 3 319.537 3.150 20 0 DGADHP C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000817984924 627983828 /nfs/dbraw/zinc/98/38/28/627983828.db2.gz CLFLTXPGKQUCIE-NLWGTHIKSA-N 2 3 319.537 3.009 20 0 DGADHP [NH3+]CCCCCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000844221994 630712964 /nfs/dbraw/zinc/71/29/64/630712964.db2.gz PZVFJWWUKUQNBN-IBGZPJMESA-N 2 3 309.542 3.484 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000131321583 1176046110 /nfs/dbraw/zinc/04/61/10/1176046110.db2.gz OWAVZSRMKGZWJQ-KRWDZBQOSA-N 2 3 309.542 3.494 20 0 DGADHP C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001576117473 1191531074 /nfs/dbraw/zinc/53/10/74/1191531074.db2.gz PTKQRDFEUSXWTA-PXNSSMCTSA-N 2 3 315.505 3.232 20 0 DGADHP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001576117472 1191532097 /nfs/dbraw/zinc/53/20/97/1191532097.db2.gz PTKQRDFEUSXWTA-FXAWDEMLSA-N 2 3 315.505 3.232 20 0 DGADHP C[C@H]([NH2+]CC(C)(C)CN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001576240149 1191547438 /nfs/dbraw/zinc/54/74/38/1191547438.db2.gz VQDHBWQRVJUMCV-HKUYNNGSSA-N 2 3 317.521 3.122 20 0 DGADHP C[C@H]1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001168012421 1086242838 /nfs/dbraw/zinc/24/28/38/1086242838.db2.gz ZUIOQEKUVHDEIA-PBWTXFEYSA-N 2 3 315.505 3.288 20 0 DGADHP C(C[NH2+]C1CCCCC1)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426115 1099020259 /nfs/dbraw/zinc/02/02/59/1099020259.db2.gz NHDKAWRIYDMPBH-ROUUACIJSA-N 2 3 307.526 3.010 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCCN2)C2CCCCC2)CC1 ZINC001236565445 1099681001 /nfs/dbraw/zinc/68/10/01/1099681001.db2.gz GQDRKXUMUMOBPX-ZHALLVOQSA-N 2 3 307.526 3.423 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCCN2)C2CCCCC2)CC1 ZINC001236565445 1099681006 /nfs/dbraw/zinc/68/10/06/1099681006.db2.gz GQDRKXUMUMOBPX-ZHALLVOQSA-N 2 3 307.526 3.423 20 0 DGADHP CCCCN1CCC([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001236850163 1099834704 /nfs/dbraw/zinc/83/47/04/1099834704.db2.gz ZJICZJDNZFBQTA-UHFFFAOYSA-N 2 3 315.505 3.029 20 0 DGADHP CCCCN1CCC([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001236850163 1099834717 /nfs/dbraw/zinc/83/47/17/1099834717.db2.gz ZJICZJDNZFBQTA-UHFFFAOYSA-N 2 3 315.505 3.029 20 0 DGADHP C[C@H]1CC[C@@H](NCCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246072474 1104368127 /nfs/dbraw/zinc/36/81/27/1104368127.db2.gz HVLUQNAPTGMFDL-FXAWDEMLSA-N 2 3 315.505 3.019 20 0 DGADHP C[C@@H]1CCCCN1CCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246195754 1104431810 /nfs/dbraw/zinc/43/18/10/1104431810.db2.gz OYIFZJVBBSKDEH-LMDPOFIKSA-N 2 3 307.526 3.153 20 0 DGADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246250846 1104458965 /nfs/dbraw/zinc/45/89/65/1104458965.db2.gz XIWAICRPZASEHH-SJORKVTESA-N 2 3 307.526 3.055 20 0 DGADHP C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246336268 1104497411 /nfs/dbraw/zinc/49/74/11/1104497411.db2.gz NZLBJFGHOZOPGF-MISYRCLQSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246336268 1104497412 /nfs/dbraw/zinc/49/74/12/1104497412.db2.gz NZLBJFGHOZOPGF-MISYRCLQSA-N 2 3 315.505 3.006 20 0 DGADHP C[NH2+]CC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001246363315 1104509542 /nfs/dbraw/zinc/50/95/42/1104509542.db2.gz DBQWVXLYGNJOKK-HNNXBMFYSA-N 2 3 323.912 3.140 20 0 DGADHP CCCC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCCC)CC2)CCN1 ZINC001246367073 1104510704 /nfs/dbraw/zinc/51/07/04/1104510704.db2.gz ROJWCYLZDBKBOX-OALUTQOASA-N 2 3 309.542 3.399 20 0 DGADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246366225 1104511762 /nfs/dbraw/zinc/51/17/62/1104511762.db2.gz NHLNWBDUGNVNOI-APWZRJJASA-N 2 3 307.526 3.009 20 0 DGADHP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246370916 1104512925 /nfs/dbraw/zinc/51/29/25/1104512925.db2.gz XUCZXCORNIMVEM-IBGZPJMESA-N 2 3 321.553 3.399 20 0 DGADHP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246369293 1104513195 /nfs/dbraw/zinc/51/31/95/1104513195.db2.gz ZLKZCWOLUZDSGM-MSOLQXFVSA-N 2 3 309.542 3.255 20 0 DGADHP CCN(CC)CC[C@H](C)[NH2+]CC1(c2ccccc2)CC[NH2+]CC1 ZINC001246373458 1104513505 /nfs/dbraw/zinc/51/35/05/1104513505.db2.gz IERVTXQQIJEAGA-SFHVURJKSA-N 2 3 317.521 3.018 20 0 DGADHP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CCN1 ZINC001246424189 1104536108 /nfs/dbraw/zinc/53/61/08/1104536108.db2.gz PPMXBZUCGYPUPS-ZWKOTPCHSA-N 2 3 321.553 3.303 20 0 DGADHP CNCC[C@H](C)[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246445075 1104541951 /nfs/dbraw/zinc/54/19/51/1104541951.db2.gz GMKUCRHPEQBWSQ-WDSOQIARSA-N 2 3 303.494 3.065 20 0 DGADHP CNCC[C@H](C)[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246445075 1104541961 /nfs/dbraw/zinc/54/19/61/1104541961.db2.gz GMKUCRHPEQBWSQ-WDSOQIARSA-N 2 3 303.494 3.065 20 0 DGADHP CC[NH+](CC)C1CCC(NC[C@]2(CC3CC3)CCC[NH2+]2)CC1 ZINC001246463436 1104549958 /nfs/dbraw/zinc/54/99/58/1104549958.db2.gz VMBFNUKGAHUGFR-CTWPCTMYSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001246553394 1104593953 /nfs/dbraw/zinc/59/39/53/1104593953.db2.gz RKDZFFNEMZERSM-VQTJNVASSA-N 2 3 315.505 3.244 20 0 DGADHP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001246553394 1104593956 /nfs/dbraw/zinc/59/39/56/1104593956.db2.gz RKDZFFNEMZERSM-VQTJNVASSA-N 2 3 315.505 3.244 20 0 DGADHP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@]23CCCNC3)CC1 ZINC001246650470 1104647315 /nfs/dbraw/zinc/64/73/15/1104647315.db2.gz INSFTSSCHGXZLR-CTWPCTMYSA-N 2 3 307.526 3.248 20 0 DGADHP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@]23CCCNC3)CC1 ZINC001246650470 1104647319 /nfs/dbraw/zinc/64/73/19/1104647319.db2.gz INSFTSSCHGXZLR-CTWPCTMYSA-N 2 3 307.526 3.248 20 0 DGADHP CCCC[C@@H]1C[C@H](N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246660102 1104653469 /nfs/dbraw/zinc/65/34/69/1104653469.db2.gz CJJOKQUYDGSKIA-QRVBRYPASA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)[C@@H]1C[C@@H]([N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246962227 1104753077 /nfs/dbraw/zinc/75/30/77/1104753077.db2.gz AXTQZABUPGSQRR-VJANTYMQSA-N 2 3 307.526 3.135 20 0 DGADHP CC(C)[C@@H]1C[C@@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246962227 1104753082 /nfs/dbraw/zinc/75/30/82/1104753082.db2.gz AXTQZABUPGSQRR-VJANTYMQSA-N 2 3 307.526 3.135 20 0 DGADHP CCN(CC)CC[C@@H](C)[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246971657 1104755968 /nfs/dbraw/zinc/75/59/68/1104755968.db2.gz WQEMSPONZQWPMY-BHIYHBOVSA-N 2 3 309.542 3.479 20 0 DGADHP CCN(CC)CC[C@@H](C)[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246971657 1104755973 /nfs/dbraw/zinc/75/59/73/1104755973.db2.gz WQEMSPONZQWPMY-BHIYHBOVSA-N 2 3 309.542 3.479 20 0 DGADHP CCCC[C@H]1C[C@@H](N2CCC(CC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246979024 1104760196 /nfs/dbraw/zinc/76/01/96/1104760196.db2.gz LCZOAVHILNFPHJ-PMACEKPBSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000105480286 194105248 /nfs/dbraw/zinc/10/52/48/194105248.db2.gz YOJXANVNKLBTIE-PXNSSMCTSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000105480286 194105251 /nfs/dbraw/zinc/10/52/51/194105251.db2.gz YOJXANVNKLBTIE-PXNSSMCTSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(C)CC[NH2+]CC3)CC2)C1 ZINC000414906464 278498313 /nfs/dbraw/zinc/49/83/13/278498313.db2.gz PTCQZZGKTKAVIB-SJLPKXTDSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000423034422 279256287 /nfs/dbraw/zinc/25/62/87/279256287.db2.gz PXCVPBRAGNAQCD-VBSBHUPXSA-N 2 3 315.505 3.004 20 0 DGADHP CC[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422826077 434028778 /nfs/dbraw/zinc/02/87/78/434028778.db2.gz KSIBBMRWLCPLGF-MSOLQXFVSA-N 2 3 321.534 3.080 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000422856758 434056407 /nfs/dbraw/zinc/05/64/07/434056407.db2.gz GIRBJZRBAYIPMC-YESZJQIVSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422856758 434056417 /nfs/dbraw/zinc/05/64/17/434056417.db2.gz GIRBJZRBAYIPMC-YESZJQIVSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422971940 434150117 /nfs/dbraw/zinc/15/01/17/434150117.db2.gz ZEKYYYNMHZJMNG-DLBZAZTESA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCN1 ZINC000423369874 434386586 /nfs/dbraw/zinc/38/65/86/434386586.db2.gz CHLNFZOCLLHVCN-OXHPOLQJSA-N 2 3 315.505 3.160 20 0 DGADHP C[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCN1 ZINC000423369874 434386596 /nfs/dbraw/zinc/38/65/96/434386596.db2.gz CHLNFZOCLLHVCN-OXHPOLQJSA-N 2 3 315.505 3.160 20 0 DGADHP [NH3+][C@H]1CCC[C@@H](NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000573137153 434878065 /nfs/dbraw/zinc/87/80/65/434878065.db2.gz FTGOFLJQHISOPK-VQTJNVASSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H](N)C2)C[N@@H+]1Cc1ccccc1 ZINC000573105330 434874508 /nfs/dbraw/zinc/87/45/08/434874508.db2.gz BDWOBLYWZFQRRI-GTAWCEEGSA-N 2 3 315.505 3.147 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H](N)C2)C[N@H+]1Cc1ccccc1 ZINC000573105330 434874513 /nfs/dbraw/zinc/87/45/13/434874513.db2.gz BDWOBLYWZFQRRI-GTAWCEEGSA-N 2 3 315.505 3.147 20 0 DGADHP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC000531722034 435113957 /nfs/dbraw/zinc/11/39/57/435113957.db2.gz YGPGLAPFIMIFDK-MJGOQNOKSA-N 2 3 309.542 3.349 20 0 DGADHP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000569724157 435556190 /nfs/dbraw/zinc/55/61/90/435556190.db2.gz ZMLXFPMVTGMESM-UWJYYQICSA-N 2 3 323.484 3.146 20 0 DGADHP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000569724157 435556193 /nfs/dbraw/zinc/55/61/93/435556193.db2.gz ZMLXFPMVTGMESM-UWJYYQICSA-N 2 3 323.484 3.146 20 0 DGADHP C(CC1CC[NH2+]CC1)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000649412222 435581332 /nfs/dbraw/zinc/58/13/32/435581332.db2.gz XRMRXNMATIWJJL-FQEVSTJZSA-N 2 3 321.553 3.354 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650763700 436025118 /nfs/dbraw/zinc/02/51/18/436025118.db2.gz HGQNVFWAIFEMHK-VQIMIIECSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC2CC[NH2+]CC2)CC1 ZINC000650763700 436025124 /nfs/dbraw/zinc/02/51/24/436025124.db2.gz HGQNVFWAIFEMHK-VQIMIIECSA-N 2 3 307.526 3.009 20 0 DGADHP CC(C)(C)[NH+]1CCC(N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415051903 526286396 /nfs/dbraw/zinc/28/63/96/526286396.db2.gz JVZWJBHZWSPXLH-SFHVURJKSA-N 2 3 303.494 3.319 20 0 DGADHP CC(C)(C)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415051903 526286400 /nfs/dbraw/zinc/28/64/00/526286400.db2.gz JVZWJBHZWSPXLH-SFHVURJKSA-N 2 3 303.494 3.319 20 0 DGADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925553861 618491101 /nfs/dbraw/zinc/49/11/01/618491101.db2.gz SRXXMUAFPGVIKE-WOJBJXKFSA-N 2 3 321.553 3.256 20 0 DGADHP C(CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC[NH+]1CCCC1 ZINC000925677168 618526878 /nfs/dbraw/zinc/52/68/78/618526878.db2.gz OOTUQMLBCZHFNQ-MOPGFXCFSA-N 2 3 307.526 3.010 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925552972 627752578 /nfs/dbraw/zinc/75/25/78/627752578.db2.gz LWLCWSDHLQOWIT-XDNAFOTISA-N 2 3 307.526 3.007 20 0 DGADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925552972 627752581 /nfs/dbraw/zinc/75/25/81/627752581.db2.gz LWLCWSDHLQOWIT-XDNAFOTISA-N 2 3 307.526 3.007 20 0 DGADHP C[C@@H](CC[NH2+][C@H](CCC[NH3+])c1ccccc1)N1CCCCC1 ZINC000925647917 627769601 /nfs/dbraw/zinc/76/96/01/627769601.db2.gz KIUGBXAMFXJPQD-PKOBYXMFSA-N 2 3 303.494 3.321 20 0 DGADHP C[C@H](CC[NH2+][C@@H](CCC[NH3+])c1ccccc1)N1CCCCC1 ZINC000925647916 627769956 /nfs/dbraw/zinc/76/99/56/627769956.db2.gz KIUGBXAMFXJPQD-MJGOQNOKSA-N 2 3 303.494 3.321 20 0 DGADHP C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000817984925 627983709 /nfs/dbraw/zinc/98/37/09/627983709.db2.gz CLFLTXPGKQUCIE-QWFCFKBJSA-N 2 3 319.537 3.009 20 0 DGADHP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001576117474 1191531513 /nfs/dbraw/zinc/53/15/13/1191531513.db2.gz PTKQRDFEUSXWTA-XLIONFOSSA-N 2 3 315.505 3.232 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC001204497080 1090983145 /nfs/dbraw/zinc/98/31/45/1090983145.db2.gz LKKXAKYLNHZYEK-QUCCMNQESA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC001204497080 1090983153 /nfs/dbraw/zinc/98/31/53/1090983153.db2.gz LKKXAKYLNHZYEK-QUCCMNQESA-N 2 3 321.553 3.305 20 0 DGADHP C(CN1CCCC1)[C@H]1CCCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235680666 1099124943 /nfs/dbraw/zinc/12/49/43/1099124943.db2.gz VTFCXMKLLZJOMK-LJQANCHMSA-N 2 3 319.537 3.107 20 0 DGADHP C(CN1CCCC1)[C@H]1CCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235680666 1099124948 /nfs/dbraw/zinc/12/49/48/1099124948.db2.gz VTFCXMKLLZJOMK-LJQANCHMSA-N 2 3 319.537 3.107 20 0 DGADHP C(C1CC2(C1)CC[NH2+]CC2)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236371299 1099556891 /nfs/dbraw/zinc/55/68/91/1099556891.db2.gz KMEOAKVEOVYLIU-QGZVFWFLSA-N 2 3 319.537 3.010 20 0 DGADHP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236371299 1099556902 /nfs/dbraw/zinc/55/69/02/1099556902.db2.gz KMEOAKVEOVYLIU-QGZVFWFLSA-N 2 3 319.537 3.010 20 0 DGADHP C[C@H]1CC[C@H](NCCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246072476 1104366700 /nfs/dbraw/zinc/36/67/00/1104366700.db2.gz HVLUQNAPTGMFDL-PXNSSMCTSA-N 2 3 315.505 3.019 20 0 DGADHP C[C@@H]1CC[C@H](NCCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246072478 1104368236 /nfs/dbraw/zinc/36/82/36/1104368236.db2.gz HVLUQNAPTGMFDL-XLIONFOSSA-N 2 3 315.505 3.019 20 0 DGADHP CN1C(C)(C)CC([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CC1(C)C ZINC001246126740 1104398657 /nfs/dbraw/zinc/39/86/57/1104398657.db2.gz HNCAUSQHWANUKK-HNNXBMFYSA-N 2 3 307.526 3.150 20 0 DGADHP C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246171904 1104419395 /nfs/dbraw/zinc/41/93/95/1104419395.db2.gz UHUDDQRFOZNTHH-VCAKUFKGSA-N 2 3 321.553 3.256 20 0 DGADHP CC[C@@H]1CC(NCCc2ccc(C[NH+](C)C)cc2)C[C@@H](CC)[NH2+]1 ZINC001246254085 1104460917 /nfs/dbraw/zinc/46/09/17/1104460917.db2.gz GTLASQHVCANXFC-RTBURBONSA-N 2 3 317.521 3.190 20 0 DGADHP CCCC[C@H]1C[C@H]([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CCN1 ZINC001246394374 1104524196 /nfs/dbraw/zinc/52/41/96/1104524196.db2.gz RSABESHVROJBED-ZWKOTPCHSA-N 2 3 307.526 3.057 20 0 DGADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CCN1 ZINC001246394356 1104524298 /nfs/dbraw/zinc/52/42/98/1104524298.db2.gz RSABESHVROJBED-MSOLQXFVSA-N 2 3 307.526 3.057 20 0 DGADHP CCCC[C@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CCN1 ZINC001246394367 1104524444 /nfs/dbraw/zinc/52/44/44/1104524444.db2.gz RSABESHVROJBED-ROUUACIJSA-N 2 3 307.526 3.057 20 0 DGADHP C[C@@H]1CC([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001246546665 1104587150 /nfs/dbraw/zinc/58/71/50/1104587150.db2.gz NCKWPCRCMPECAL-ZHALLVOQSA-N 2 3 315.505 3.241 20 0 DGADHP C[C@@H]1CC([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001246546665 1104587158 /nfs/dbraw/zinc/58/71/58/1104587158.db2.gz NCKWPCRCMPECAL-ZHALLVOQSA-N 2 3 315.505 3.241 20 0 DGADHP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246652691 1104649141 /nfs/dbraw/zinc/64/91/41/1104649141.db2.gz HAYYKQRDZVKZDW-SQNIBIBYSA-N 2 3 307.526 3.007 20 0 DGADHP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CCN1 ZINC001246652691 1104649142 /nfs/dbraw/zinc/64/91/42/1104649142.db2.gz HAYYKQRDZVKZDW-SQNIBIBYSA-N 2 3 307.526 3.007 20 0 DGADHP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246652689 1104649346 /nfs/dbraw/zinc/64/93/46/1104649346.db2.gz HAYYKQRDZVKZDW-KURKYZTESA-N 2 3 307.526 3.007 20 0 DGADHP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246652689 1104649351 /nfs/dbraw/zinc/64/93/51/1104649351.db2.gz HAYYKQRDZVKZDW-KURKYZTESA-N 2 3 307.526 3.007 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)CC1 ZINC000358250806 286011053 /nfs/dbraw/zinc/01/10/53/286011053.db2.gz LYHNVULCEUCEHU-NBDWZHNGSA-N 2 3 319.537 3.246 20 0 DGADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000359808776 286384191 /nfs/dbraw/zinc/38/41/91/286384191.db2.gz RYZPRVZWGZBYFK-FXAWDEMLSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000359808776 286384194 /nfs/dbraw/zinc/38/41/94/286384194.db2.gz RYZPRVZWGZBYFK-FXAWDEMLSA-N 2 3 315.505 3.102 20 0 DGADHP CC[NH+](CC)CCCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000182748520 432224764 /nfs/dbraw/zinc/22/47/64/432224764.db2.gz OPTQNGSOKUDGQU-LJQANCHMSA-N 2 3 309.542 3.305 20 0 DGADHP CC[NH+](CC)CCCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000182748520 432224766 /nfs/dbraw/zinc/22/47/66/432224766.db2.gz OPTQNGSOKUDGQU-LJQANCHMSA-N 2 3 309.542 3.305 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422875667 287355714 /nfs/dbraw/zinc/35/57/14/287355714.db2.gz FOEZCQAJMGAKDT-HLIPFELVSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422875667 287355715 /nfs/dbraw/zinc/35/57/15/287355715.db2.gz FOEZCQAJMGAKDT-HLIPFELVSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000336719375 278228058 /nfs/dbraw/zinc/22/80/58/278228058.db2.gz RYRUPTDLASMXCQ-PKOBYXMFSA-N 2 3 303.494 3.006 20 0 DGADHP C[N@@H+]1CCC[C@@H]1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162623732 432829424 /nfs/dbraw/zinc/82/94/24/432829424.db2.gz VWFRVWQKSWVTTB-LJQANCHMSA-N 2 3 307.526 3.059 20 0 DGADHP C[N@H+]1CCC[C@@H]1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162623732 432829428 /nfs/dbraw/zinc/82/94/28/432829428.db2.gz VWFRVWQKSWVTTB-LJQANCHMSA-N 2 3 307.526 3.059 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)C1 ZINC000421379201 433525448 /nfs/dbraw/zinc/52/54/48/433525448.db2.gz WOIHSRCHQPCGIJ-OQUMVOOASA-N 2 3 321.553 3.492 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000414837100 433871073 /nfs/dbraw/zinc/87/10/73/433871073.db2.gz KASKPYVSFJNFLR-ZIFCJYIRSA-N 2 3 307.526 3.009 20 0 DGADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422794384 434006806 /nfs/dbraw/zinc/00/68/06/434006806.db2.gz YSFNQXNSSYWHCO-GBESFXJTSA-N 2 3 307.526 3.009 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422875385 434070048 /nfs/dbraw/zinc/07/00/48/434070048.db2.gz FCJDSCIKQWLSBC-CVEARBPZSA-N 2 3 318.509 3.011 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422875385 434070056 /nfs/dbraw/zinc/07/00/56/434070056.db2.gz FCJDSCIKQWLSBC-CVEARBPZSA-N 2 3 318.509 3.011 20 0 DGADHP C[C@@H](CCC[NH3+])[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422881975 434079018 /nfs/dbraw/zinc/07/90/18/434079018.db2.gz RMGAYTWNCCEMNT-HNNXBMFYSA-N 2 3 323.912 3.269 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000569622609 435548584 /nfs/dbraw/zinc/54/85/84/435548584.db2.gz GUSDKWFAGHTGCN-AHRSYUTCSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000569622609 435548588 /nfs/dbraw/zinc/54/85/88/435548588.db2.gz GUSDKWFAGHTGCN-AHRSYUTCSA-N 2 3 315.505 3.278 20 0 DGADHP C([NH2+]C1CCN(C2CCCCC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000376469764 312953072 /nfs/dbraw/zinc/95/30/72/312953072.db2.gz VHSMPRLMVFGDOA-UHFFFAOYSA-N 2 3 319.537 3.248 20 0 DGADHP C(CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC[NH+]1CCCC1 ZINC000925677169 618527082 /nfs/dbraw/zinc/52/70/82/618527082.db2.gz OOTUQMLBCZHFNQ-OALUTQOASA-N 2 3 307.526 3.010 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809103 618624550 /nfs/dbraw/zinc/62/45/50/618624550.db2.gz SCWXDBFUJQBOJW-OAHLLOKOSA-N 2 3 318.509 3.059 20 0 DGADHP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889353 619826080 /nfs/dbraw/zinc/82/60/80/619826080.db2.gz RGDKOPHMXAHLBQ-XIBWBMNSSA-N 2 3 319.537 3.103 20 0 DGADHP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889353 619826082 /nfs/dbraw/zinc/82/60/82/619826082.db2.gz RGDKOPHMXAHLBQ-XIBWBMNSSA-N 2 3 319.537 3.103 20 0 DGADHP C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000765453961 622266027 /nfs/dbraw/zinc/26/60/27/622266027.db2.gz UHWNCWUUISRKSS-KRWDZBQOSA-N 2 3 321.553 3.351 20 0 DGADHP CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886536421 627158956 /nfs/dbraw/zinc/15/89/56/627158956.db2.gz HICTUXKXHUMLMB-CXUOOODFSA-N 2 3 307.526 3.246 20 0 DGADHP CCC[NH+]1CCC(C[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000924954690 627697006 /nfs/dbraw/zinc/69/70/06/627697006.db2.gz ICKHIWTYCCYHCR-UHFFFAOYSA-N 2 3 309.542 3.209 20 0 DGADHP C[C@H](CN[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000925485617 627741385 /nfs/dbraw/zinc/74/13/85/627741385.db2.gz OMAFZQSPEDZIHC-MJGOQNOKSA-N 2 3 303.494 3.178 20 0 DGADHP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)CN1CCCCC1 ZINC000925485617 627741389 /nfs/dbraw/zinc/74/13/89/627741389.db2.gz OMAFZQSPEDZIHC-MJGOQNOKSA-N 2 3 303.494 3.178 20 0 DGADHP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925655453 627771058 /nfs/dbraw/zinc/77/10/58/627771058.db2.gz VHTLPISEHJBFAQ-OTWHNJEPSA-N 2 3 315.505 3.004 20 0 DGADHP C[C@H]1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001168031560 1086463117 /nfs/dbraw/zinc/46/31/17/1086463117.db2.gz ZUIOQEKUVHDEIA-CAMMJAKZSA-N 2 3 315.505 3.288 20 0 DGADHP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc3cnccc3[nH]2)CC1 ZINC001232013597 1097917027 /nfs/dbraw/zinc/91/70/27/1097917027.db2.gz CAHWJKROIXMSEI-UHFFFAOYSA-N 2 3 300.450 3.115 20 0 DGADHP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3cnccc3[nH]2)CC1 ZINC001232013597 1097917029 /nfs/dbraw/zinc/91/70/29/1097917029.db2.gz CAHWJKROIXMSEI-UHFFFAOYSA-N 2 3 300.450 3.115 20 0 DGADHP CCCCN1CCC([N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001236847565 1099831496 /nfs/dbraw/zinc/83/14/96/1099831496.db2.gz JWKCGTWTAMFNFQ-UHFFFAOYSA-N 2 3 315.505 3.029 20 0 DGADHP CCCCN1CCC([N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001236847565 1099831507 /nfs/dbraw/zinc/83/15/07/1099831507.db2.gz JWKCGTWTAMFNFQ-UHFFFAOYSA-N 2 3 315.505 3.029 20 0 DGADHP C[C@@H]1CC[C@@H](NCCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001246072480 1104366738 /nfs/dbraw/zinc/36/67/38/1104366738.db2.gz HVLUQNAPTGMFDL-YLJYHZDGSA-N 2 3 315.505 3.019 20 0 DGADHP C[C@H]1CCCCN1CCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246195755 1104434011 /nfs/dbraw/zinc/43/40/11/1104434011.db2.gz OYIFZJVBBSKDEH-VIQWUECVSA-N 2 3 307.526 3.153 20 0 DGADHP CCCC[C@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246255628 1104460247 /nfs/dbraw/zinc/46/02/47/1104460247.db2.gz KWUXOZOPVCFZLJ-ROUUACIJSA-N 2 3 307.526 3.199 20 0 DGADHP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246366674 1104510685 /nfs/dbraw/zinc/51/06/85/1104510685.db2.gz PMBLYHMIGABKCU-PMACEKPBSA-N 2 3 321.553 3.399 20 0 DGADHP CCCC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCN1 ZINC001246367891 1104510869 /nfs/dbraw/zinc/51/08/69/1104510869.db2.gz SJRFISHNWGFMNO-VQTJNVASSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@H]1C[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407966 1104530875 /nfs/dbraw/zinc/53/08/75/1104530875.db2.gz WGEKGANDPZALSU-WNHJNPCNSA-N 2 3 307.526 3.279 20 0 DGADHP C[C@H]1C[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407966 1104530884 /nfs/dbraw/zinc/53/08/84/1104530884.db2.gz WGEKGANDPZALSU-WNHJNPCNSA-N 2 3 307.526 3.279 20 0 DGADHP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001246564330 1104597733 /nfs/dbraw/zinc/59/77/33/1104597733.db2.gz MVLOCZWRZFKRQD-MISYRCLQSA-N 2 3 315.505 3.100 20 0 DGADHP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001246564330 1104597743 /nfs/dbraw/zinc/59/77/43/1104597743.db2.gz MVLOCZWRZFKRQD-MISYRCLQSA-N 2 3 315.505 3.100 20 0 DGADHP [NH3+]C[C@@H]1CCCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001246591353 1104610639 /nfs/dbraw/zinc/61/06/39/1104610639.db2.gz IQHCNDWYYFKANX-PMACEKPBSA-N 2 3 315.505 3.102 20 0 DGADHP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001246591353 1104610645 /nfs/dbraw/zinc/61/06/45/1104610645.db2.gz IQHCNDWYYFKANX-PMACEKPBSA-N 2 3 315.505 3.102 20 0 DGADHP c1ccc([C@@H]2C[C@H](N3CCC[C@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602820 1104620077 /nfs/dbraw/zinc/62/00/77/1104620077.db2.gz CSRPFTWZGYYCGH-AABGKKOBSA-N 2 3 313.489 3.088 20 0 DGADHP C1CCC2(CC1)C[C@H]([N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)CCN2 ZINC001246661083 1104653140 /nfs/dbraw/zinc/65/31/40/1104653140.db2.gz TXAFYRRPMXYCQP-RTBURBONSA-N 2 3 319.537 3.295 20 0 DGADHP C1CCC2(CC1)C[C@H]([N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)CCN2 ZINC001246661083 1104653145 /nfs/dbraw/zinc/65/31/45/1104653145.db2.gz TXAFYRRPMXYCQP-RTBURBONSA-N 2 3 319.537 3.295 20 0 DGADHP CCCC[C@H]1C[C@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)CCN1 ZINC001246779495 1104670173 /nfs/dbraw/zinc/67/01/73/1104670173.db2.gz IEKVVFBKEPUDDU-RBUKOAKNSA-N 2 3 309.542 3.349 20 0 DGADHP CCCC[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CCN1 ZINC001246779495 1104670176 /nfs/dbraw/zinc/67/01/76/1104670176.db2.gz IEKVVFBKEPUDDU-RBUKOAKNSA-N 2 3 309.542 3.349 20 0 DGADHP CC1(C)C[C@@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246913521 1104735886 /nfs/dbraw/zinc/73/58/86/1104735886.db2.gz XWOSGIGZVCLCGB-ACBHZAAOSA-N 2 3 315.505 3.289 20 0 DGADHP CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246913521 1104735888 /nfs/dbraw/zinc/73/58/88/1104735888.db2.gz XWOSGIGZVCLCGB-ACBHZAAOSA-N 2 3 315.505 3.289 20 0 DGADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246934009 1104743635 /nfs/dbraw/zinc/74/36/35/1104743635.db2.gz MUDYEASICBYWHB-KKXNLOMOSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246934009 1104743641 /nfs/dbraw/zinc/74/36/41/1104743641.db2.gz MUDYEASICBYWHB-KKXNLOMOSA-N 2 3 319.537 3.153 20 0 DGADHP C[C@@H]1C[C@@H](NCc2ccccc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256529092 1106433851 /nfs/dbraw/zinc/43/38/51/1106433851.db2.gz QCTWMYCNFMKPFR-UTKZUKDTSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@@H]1C[C@@H](NCc2ccccc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256529092 1106433853 /nfs/dbraw/zinc/43/38/53/1106433853.db2.gz QCTWMYCNFMKPFR-UTKZUKDTSA-N 2 3 323.484 3.288 20 0 DGADHP CCCC[N@H+](C)CC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000472755307 535216916 /nfs/dbraw/zinc/21/69/16/535216916.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 2 3 309.542 3.305 20 0 DGADHP CCCC[N@@H+](C)CC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000472755307 535216918 /nfs/dbraw/zinc/21/69/18/535216918.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 2 3 309.542 3.305 20 0 DGADHP CCCC[NH+](C)CC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472755307 535216922 /nfs/dbraw/zinc/21/69/22/535216922.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 2 3 309.542 3.305 20 0 DGADHP CCCC[NH+](C)CC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472755307 535216928 /nfs/dbraw/zinc/21/69/28/535216928.db2.gz RQVRDCFDWZERNU-IBGZPJMESA-N 2 3 309.542 3.305 20 0 DGADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415060303 237042392 /nfs/dbraw/zinc/04/23/92/237042392.db2.gz WFVRVJJNSZXVKE-NZSAHSFTSA-N 2 3 303.494 3.367 20 0 DGADHP CCN(CC)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000338282120 253256447 /nfs/dbraw/zinc/25/64/47/253256447.db2.gz NWRNXKXESLSZJC-UHFFFAOYSA-N 2 3 309.542 3.306 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414975989 287311026 /nfs/dbraw/zinc/31/10/26/287311026.db2.gz PHYAJZMQPAYZBC-ZIFCJYIRSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414975989 287311027 /nfs/dbraw/zinc/31/10/27/287311027.db2.gz PHYAJZMQPAYZBC-ZIFCJYIRSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000415011557 277724136 /nfs/dbraw/zinc/72/41/36/277724136.db2.gz WDCBSLZFCQHONC-VXNCWWDNSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000414837091 433872079 /nfs/dbraw/zinc/87/20/79/433872079.db2.gz KASKPYVSFJNFLR-AOIWGVFYSA-N 2 3 307.526 3.009 20 0 DGADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422687694 433933869 /nfs/dbraw/zinc/93/38/69/433933869.db2.gz BVWSTGWUNXOTHH-LPHOPBHVSA-N 2 3 303.494 3.006 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422704738 433941326 /nfs/dbraw/zinc/94/13/26/433941326.db2.gz AONFPNRDSGVMBC-IRXDYDNUSA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422794383 434004663 /nfs/dbraw/zinc/00/46/63/434004663.db2.gz YSFNQXNSSYWHCO-CEXWTWQISA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422802915 434015722 /nfs/dbraw/zinc/01/57/22/434015722.db2.gz HXFPRGCNNRLPPG-DLBZAZTESA-N 2 3 303.494 3.134 20 0 DGADHP N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422811906 434020070 /nfs/dbraw/zinc/02/00/70/434020070.db2.gz VGJLGLBFFYPSNP-OALUTQOASA-N 2 3 301.478 3.032 20 0 DGADHP N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422811905 434021057 /nfs/dbraw/zinc/02/10/57/434021057.db2.gz VGJLGLBFFYPSNP-MOPGFXCFSA-N 2 3 301.478 3.032 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422890340 434086152 /nfs/dbraw/zinc/08/61/52/434086152.db2.gz IEBNYYOETWEPEK-XSLAGTTESA-N 2 3 317.521 3.380 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422910223 434102328 /nfs/dbraw/zinc/10/23/28/434102328.db2.gz HQDSYWKQDKEDMI-MOPGFXCFSA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422910223 434102338 /nfs/dbraw/zinc/10/23/38/434102338.db2.gz HQDSYWKQDKEDMI-MOPGFXCFSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000378541137 434217252 /nfs/dbraw/zinc/21/72/52/434217252.db2.gz DVDJQTGGQKJMQS-PKOBYXMFSA-N 2 3 321.553 3.351 20 0 DGADHP C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC[NH+]1CCCC1 ZINC000423139924 434245577 /nfs/dbraw/zinc/24/55/77/434245577.db2.gz WXPVKKCGJNIFJV-GUDVDZBRSA-N 2 3 307.526 3.153 20 0 DGADHP NC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397609398 434441167 /nfs/dbraw/zinc/44/11/67/434441167.db2.gz YNJGWVXAANUORR-WOJBJXKFSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H](N)C2)C[N@@H+]1Cc1ccccc1 ZINC000573105325 434874134 /nfs/dbraw/zinc/87/41/34/434874134.db2.gz BDWOBLYWZFQRRI-BTHPGYMESA-N 2 3 315.505 3.147 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H](N)C2)C[N@H+]1Cc1ccccc1 ZINC000573105325 434874138 /nfs/dbraw/zinc/87/41/38/434874138.db2.gz BDWOBLYWZFQRRI-BTHPGYMESA-N 2 3 315.505 3.147 20 0 DGADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000566483001 315351496 /nfs/dbraw/zinc/35/14/96/315351496.db2.gz QWVMDOAYYXAJIR-UXHICEINSA-N 2 3 315.505 3.422 20 0 DGADHP [NH3+][C@H]1CCC[C@H](NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000566482992 315351678 /nfs/dbraw/zinc/35/16/78/315351678.db2.gz QWVMDOAYYXAJIR-PMACEKPBSA-N 2 3 315.505 3.422 20 0 DGADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000582496960 324237028 /nfs/dbraw/zinc/23/70/28/324237028.db2.gz LNGHGSSSSZPZQX-UXHICEINSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000157556268 546041482 /nfs/dbraw/zinc/04/14/82/546041482.db2.gz IZCYRNVPIIGIJN-MRXNPFEDSA-N 2 3 307.526 3.103 20 0 DGADHP C[C@H]1CCCCN1CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925513326 618451348 /nfs/dbraw/zinc/45/13/48/618451348.db2.gz JDQSTKWGNYNQBQ-PKOBYXMFSA-N 2 3 303.494 3.321 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000873242451 623088383 /nfs/dbraw/zinc/08/83/83/623088383.db2.gz PPWKQROLECPKCG-HNNXBMFYSA-N 2 3 318.509 3.010 20 0 DGADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925542610 627751299 /nfs/dbraw/zinc/75/12/99/627751299.db2.gz NZYPRKCQSHJDJS-GXZRBYELSA-N 2 3 319.537 3.150 20 0 DGADHP C(CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CCC1CC[NH2+]CC1 ZINC000925808885 627798265 /nfs/dbraw/zinc/79/82/65/627798265.db2.gz QODHJSNTLZPOJE-UXHICEINSA-N 2 3 321.553 3.304 20 0 DGADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262099714 657358067 /nfs/dbraw/zinc/35/80/67/657358067.db2.gz ITHOTKANBGQRPO-APWZRJJASA-N 2 3 303.494 3.136 20 0 DGADHP CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001550943178 1188672754 /nfs/dbraw/zinc/67/27/54/1188672754.db2.gz CWEQFVSCSPBSFJ-MOXMWUHRSA-N 2 3 319.537 3.150 20 0 DGADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001550943180 1188673007 /nfs/dbraw/zinc/67/30/07/1188673007.db2.gz CWEQFVSCSPBSFJ-SYJBPTKTSA-N 2 3 319.537 3.150 20 0 DGADHP [NH3+]CCC[C@@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981851 1085932288 /nfs/dbraw/zinc/93/22/88/1085932288.db2.gz NFJNFLYZZKIWQB-DAABDDCCSA-N 2 3 319.537 3.233 20 0 DGADHP [NH3+]CCC[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981851 1085932302 /nfs/dbraw/zinc/93/23/02/1085932302.db2.gz NFJNFLYZZKIWQB-DAABDDCCSA-N 2 3 319.537 3.233 20 0 DGADHP C[NH+](C)CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167981764 1085932956 /nfs/dbraw/zinc/93/29/56/1085932956.db2.gz IYXHNDUKSJIQMZ-ZHNYMBGRSA-N 2 3 319.537 3.102 20 0 DGADHP C(CN1CCCCC1)C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222109631 1095436429 /nfs/dbraw/zinc/43/64/29/1095436429.db2.gz MFUBECALYDSGNC-UHFFFAOYSA-N 2 3 321.553 3.498 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C[C@H]2CCCNC2)CC1 ZINC001236756543 1099771672 /nfs/dbraw/zinc/77/16/72/1099771672.db2.gz YGGSWCJCZDMCND-FHWLQOOXSA-N 2 3 307.526 3.138 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@H]2CCCNC2)CC1 ZINC001236756543 1099771679 /nfs/dbraw/zinc/77/16/79/1099771679.db2.gz YGGSWCJCZDMCND-FHWLQOOXSA-N 2 3 307.526 3.138 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246255626 1104460455 /nfs/dbraw/zinc/46/04/55/1104460455.db2.gz KWUXOZOPVCFZLJ-QZTJIDSGSA-N 2 3 307.526 3.199 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCN1 ZINC001246367900 1104511860 /nfs/dbraw/zinc/51/18/60/1104511860.db2.gz SJRFISHNWGFMNO-WOJBJXKFSA-N 2 3 321.553 3.399 20 0 DGADHP CN1C(C)(C)CC([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678458 1104658688 /nfs/dbraw/zinc/65/86/88/1104658688.db2.gz NUAIIOINZJRRML-IAGOWNOFSA-N 2 3 321.553 3.349 20 0 DGADHP CN1C(C)(C)CC([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678458 1104658694 /nfs/dbraw/zinc/65/86/94/1104658694.db2.gz NUAIIOINZJRRML-IAGOWNOFSA-N 2 3 321.553 3.349 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679321 1104658794 /nfs/dbraw/zinc/65/87/94/1104658794.db2.gz UMBHMKYVEVRMSV-FCGDIQPGSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679321 1104658797 /nfs/dbraw/zinc/65/87/97/1104658797.db2.gz UMBHMKYVEVRMSV-FCGDIQPGSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@@H]1C[C@@H](N2CCC(C3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC001246800581 1104682905 /nfs/dbraw/zinc/68/29/05/1104682905.db2.gz FNICXAJVHXRSBS-UXHICEINSA-N 2 3 321.553 3.351 20 0 DGADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933768 1104743659 /nfs/dbraw/zinc/74/36/59/1104743659.db2.gz KRODNIBCQPILFX-HKUYNNGSSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246933768 1104743665 /nfs/dbraw/zinc/74/36/65/1104743665.db2.gz KRODNIBCQPILFX-HKUYNNGSSA-N 2 3 319.537 3.153 20 0 DGADHP CC(C)C[NH+]1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256566640 1106446808 /nfs/dbraw/zinc/44/68/08/1106446808.db2.gz WZONHGSEJLRDKZ-UHFFFAOYSA-N 2 3 309.542 3.207 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000635004310 401399530 /nfs/dbraw/zinc/39/95/30/401399530.db2.gz CXIFZLXYEHJHBZ-DWRORGKVSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414899126 299784799 /nfs/dbraw/zinc/78/47/99/299784799.db2.gz GYYJEDOZLSBVHK-FUHWJXTLSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422867860 287276030 /nfs/dbraw/zinc/27/60/30/287276030.db2.gz TYXPLAWRHJIFEB-NSISKUIASA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422867860 287276031 /nfs/dbraw/zinc/27/60/31/287276031.db2.gz TYXPLAWRHJIFEB-NSISKUIASA-N 2 3 315.505 3.278 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297652613 433002648 /nfs/dbraw/zinc/00/26/48/433002648.db2.gz NIMDYMGAFSEZNU-QGZVFWFLSA-N 2 3 318.509 3.151 20 0 DGADHP N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796754 434008219 /nfs/dbraw/zinc/00/82/19/434008219.db2.gz YYTRHOWZLIDUOG-PMACEKPBSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422869747 434066280 /nfs/dbraw/zinc/06/62/80/434066280.db2.gz XWTYLLAUCIPSFH-GVDBMIGSSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422869747 434066289 /nfs/dbraw/zinc/06/62/89/434066289.db2.gz XWTYLLAUCIPSFH-GVDBMIGSSA-N 2 3 303.494 3.276 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422875387 434074000 /nfs/dbraw/zinc/07/40/00/434074000.db2.gz FCJDSCIKQWLSBC-HZPDHXFCSA-N 2 3 318.509 3.011 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422875387 434074009 /nfs/dbraw/zinc/07/40/09/434074009.db2.gz FCJDSCIKQWLSBC-HZPDHXFCSA-N 2 3 318.509 3.011 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422883998 434081606 /nfs/dbraw/zinc/08/16/06/434081606.db2.gz RCMYRLUYAAGQCE-ULQDDVLXSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422883998 434081615 /nfs/dbraw/zinc/08/16/15/434081615.db2.gz RCMYRLUYAAGQCE-ULQDDVLXSA-N 2 3 303.494 3.276 20 0 DGADHP CC[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422901954 434097956 /nfs/dbraw/zinc/09/79/56/434097956.db2.gz LXZRQAPENYIXDJ-PMACEKPBSA-N 2 3 315.505 3.019 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000422907704 434102276 /nfs/dbraw/zinc/10/22/76/434102276.db2.gz CBUMYWCMIXCIFG-RTBURBONSA-N 2 3 303.494 3.276 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000422907704 434102283 /nfs/dbraw/zinc/10/22/83/434102283.db2.gz CBUMYWCMIXCIFG-RTBURBONSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2CN)C[N@@H+]1Cc1ccccc1 ZINC000423005118 434162509 /nfs/dbraw/zinc/16/25/09/434162509.db2.gz QUNXVRQQXDLUJU-BTHPGYMESA-N 2 3 315.505 3.004 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2CN)C[N@H+]1Cc1ccccc1 ZINC000423005118 434162514 /nfs/dbraw/zinc/16/25/14/434162514.db2.gz QUNXVRQQXDLUJU-BTHPGYMESA-N 2 3 315.505 3.004 20 0 DGADHP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCN1 ZINC000423369873 434386389 /nfs/dbraw/zinc/38/63/89/434386389.db2.gz CHLNFZOCLLHVCN-OTBHMBEGSA-N 2 3 315.505 3.160 20 0 DGADHP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCN1 ZINC000423369873 434386397 /nfs/dbraw/zinc/38/63/97/434386397.db2.gz CHLNFZOCLLHVCN-OTBHMBEGSA-N 2 3 315.505 3.160 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC2CC2)CC1 ZINC000423573658 434491389 /nfs/dbraw/zinc/49/13/89/434491389.db2.gz ZIZYMYIIGFGKNY-UHFFFAOYSA-N 2 3 315.505 3.161 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC2CC2)CC1 ZINC000423573658 434491396 /nfs/dbraw/zinc/49/13/96/434491396.db2.gz ZIZYMYIIGFGKNY-UHFFFAOYSA-N 2 3 315.505 3.161 20 0 DGADHP N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796758 295333410 /nfs/dbraw/zinc/33/34/10/295333410.db2.gz YYTRHOWZLIDUOG-VQTJNVASSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H](N)C2)C[N@@H+]1Cc1ccccc1 ZINC000573105327 434873806 /nfs/dbraw/zinc/87/38/06/434873806.db2.gz BDWOBLYWZFQRRI-GSEOLPGOSA-N 2 3 315.505 3.147 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H](N)C2)C[N@H+]1Cc1ccccc1 ZINC000573105327 434873811 /nfs/dbraw/zinc/87/38/11/434873811.db2.gz BDWOBLYWZFQRRI-GSEOLPGOSA-N 2 3 315.505 3.147 20 0 DGADHP CC1CC[NH+](C[C@H]2CCCN(CCCC3CC[NH2+]CC3)C2)CC1 ZINC000649411956 435580482 /nfs/dbraw/zinc/58/04/82/435580482.db2.gz ZMIAALZDBIEMAE-FQEVSTJZSA-N 2 3 321.553 3.210 20 0 DGADHP CC1CCN(C[C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)CC1 ZINC000649411956 435580487 /nfs/dbraw/zinc/58/04/87/435580487.db2.gz ZMIAALZDBIEMAE-FQEVSTJZSA-N 2 3 321.553 3.210 20 0 DGADHP CC1CCN(C[C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)CC1 ZINC000649411956 435580491 /nfs/dbraw/zinc/58/04/91/435580491.db2.gz ZMIAALZDBIEMAE-FQEVSTJZSA-N 2 3 321.553 3.210 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)C1 ZINC000650764055 436025429 /nfs/dbraw/zinc/02/54/29/436025429.db2.gz PLKNNROCTNMIMO-APWZRJJASA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000873220010 623079210 /nfs/dbraw/zinc/07/92/10/623079210.db2.gz FVETVYNTFRVYAD-GPMSIDNRSA-N 2 3 307.526 3.007 20 0 DGADHP NC[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000873242138 623088792 /nfs/dbraw/zinc/08/87/92/623088792.db2.gz MAUSGGVGHDTCKE-WOJBJXKFSA-N 2 3 315.505 3.006 20 0 DGADHP CC(C)N1CCC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886522665 627156650 /nfs/dbraw/zinc/15/66/50/627156650.db2.gz OKRQCMLGXCAWCT-XEVCZEQESA-N 2 3 321.553 3.494 20 0 DGADHP CN1CCCC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886642003 627178427 /nfs/dbraw/zinc/17/84/27/627178427.db2.gz XGDJRSLCSAYDPD-LMDPOFIKSA-N 2 3 307.526 3.105 20 0 DGADHP C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924711015 627671571 /nfs/dbraw/zinc/67/15/71/627671571.db2.gz DWAHTXTWIOCBFU-MRXNPFEDSA-N 2 3 315.505 3.273 20 0 DGADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925554314 627753567 /nfs/dbraw/zinc/75/35/67/627753567.db2.gz XYDNFKKNGAFJFR-HOJAQTOUSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925554314 627753570 /nfs/dbraw/zinc/75/35/70/627753570.db2.gz XYDNFKKNGAFJFR-HOJAQTOUSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@H](CC[NH2+][C@H](CCC[NH3+])c1ccccc1)N1CCCCC1 ZINC000925647915 627769486 /nfs/dbraw/zinc/76/94/86/627769486.db2.gz KIUGBXAMFXJPQD-IEBWSBKVSA-N 2 3 303.494 3.321 20 0 DGADHP C(CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CCC1CC[NH2+]CC1 ZINC000925808887 627798517 /nfs/dbraw/zinc/79/85/17/627798517.db2.gz QODHJSNTLZPOJE-WOJBJXKFSA-N 2 3 321.553 3.304 20 0 DGADHP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCN(Cc2ccccc2)C1 ZINC000309724464 656045302 /nfs/dbraw/zinc/04/53/02/656045302.db2.gz NBRIFSXSZUWYFC-VAMGGRTRSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCN(Cc2ccccc2)C1 ZINC000309724461 656116946 /nfs/dbraw/zinc/11/69/46/656116946.db2.gz NBRIFSXSZUWYFC-SLFFLAALSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(C2CCC2)C1 ZINC001576244593 1191547395 /nfs/dbraw/zinc/54/73/95/1191547395.db2.gz MBZYPSMJASCHAD-NOZCTNJESA-N 2 3 319.537 3.150 20 0 DGADHP CN1C(C)(C)CC([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CC1(C)C ZINC001171628956 1096929834 /nfs/dbraw/zinc/92/98/34/1096929834.db2.gz NAAFGRBEXQDMRX-MRXNPFEDSA-N 2 3 309.542 3.479 20 0 DGADHP CN1C(C)(C)CC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1(C)C ZINC001171628956 1096929839 /nfs/dbraw/zinc/92/98/39/1096929839.db2.gz NAAFGRBEXQDMRX-MRXNPFEDSA-N 2 3 309.542 3.479 20 0 DGADHP CN1C(C)(C)CC([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1(C)C ZINC001171628954 1096929987 /nfs/dbraw/zinc/92/99/87/1096929987.db2.gz NAAFGRBEXQDMRX-INIZCTEOSA-N 2 3 309.542 3.479 20 0 DGADHP CN1C(C)(C)CC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1(C)C ZINC001171628954 1096929993 /nfs/dbraw/zinc/92/99/93/1096929993.db2.gz NAAFGRBEXQDMRX-INIZCTEOSA-N 2 3 309.542 3.479 20 0 DGADHP C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246169484 1104417494 /nfs/dbraw/zinc/41/74/94/1104417494.db2.gz IUQUCSQAEWPKGI-QZTJIDSGSA-N 2 3 321.553 3.256 20 0 DGADHP NCCC[N@H+](C1CCCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246171404 1104418731 /nfs/dbraw/zinc/41/87/31/1104418731.db2.gz BFCGUAHGHVGUNA-UHFFFAOYSA-N 2 3 307.526 3.282 20 0 DGADHP NCCC[N@@H+](C1CCCCC1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246171404 1104418733 /nfs/dbraw/zinc/41/87/33/1104418733.db2.gz BFCGUAHGHVGUNA-UHFFFAOYSA-N 2 3 307.526 3.282 20 0 DGADHP CCN(CC)CC[C@@H](C)[NH2+]CC1(CC2CCC2)CC[NH2+]CC1 ZINC001246425454 1104536343 /nfs/dbraw/zinc/53/63/43/1104536343.db2.gz WESWNDNLAAOTTN-QGZVFWFLSA-N 2 3 309.542 3.256 20 0 DGADHP CC[C@H]1C[C@@H]([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CCN1 ZINC001246902192 1104728344 /nfs/dbraw/zinc/72/83/44/1104728344.db2.gz QOTBOSINLCEMBK-PMACEKPBSA-N 2 3 321.553 3.351 20 0 DGADHP CC[C@H]1C[C@@H](N2CCC(CC3CC[NH+](CC)CC3)CC2)CC[NH2+]1 ZINC001246902192 1104728350 /nfs/dbraw/zinc/72/83/50/1104728350.db2.gz QOTBOSINLCEMBK-PMACEKPBSA-N 2 3 321.553 3.351 20 0 DGADHP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)c1 ZINC001246974751 1104758203 /nfs/dbraw/zinc/75/82/03/1104758203.db2.gz RSCKUPOKMDCLJE-VBSBHUPXSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)c1 ZINC001246974751 1104758207 /nfs/dbraw/zinc/75/82/07/1104758207.db2.gz RSCKUPOKMDCLJE-VBSBHUPXSA-N 2 3 315.505 3.207 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001258898062 1107047278 /nfs/dbraw/zinc/04/72/78/1107047278.db2.gz FRJXAGISBOKYEW-QRVBRYPASA-N 2 3 311.558 3.455 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000415011553 237001779 /nfs/dbraw/zinc/00/17/79/237001779.db2.gz WDCBSLZFCQHONC-DFEOGRTESA-N 2 3 307.526 3.137 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459791862 296329125 /nfs/dbraw/zinc/32/91/25/296329125.db2.gz SAPIGNDGSVIXHT-HBFSDRIKSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459791862 296329127 /nfs/dbraw/zinc/32/91/27/296329127.db2.gz SAPIGNDGSVIXHT-HBFSDRIKSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@H]([NH3+])C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000347078501 264153312 /nfs/dbraw/zinc/15/33/12/264153312.db2.gz VVAZUHCMKILKAB-KRWDZBQOSA-N 2 3 317.521 3.204 20 0 DGADHP C[C@H]([NH3+])C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347078501 264153314 /nfs/dbraw/zinc/15/33/14/264153314.db2.gz VVAZUHCMKILKAB-KRWDZBQOSA-N 2 3 317.521 3.204 20 0 DGADHP C[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)CN(C)C ZINC000293712032 279346228 /nfs/dbraw/zinc/34/62/28/279346228.db2.gz OYBHCKMJOBGSTR-QHGAOEGBSA-N 2 3 317.521 3.217 20 0 DGADHP C[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)CN(C)C ZINC000293712032 279346231 /nfs/dbraw/zinc/34/62/31/279346231.db2.gz OYBHCKMJOBGSTR-QHGAOEGBSA-N 2 3 317.521 3.217 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414899132 433905230 /nfs/dbraw/zinc/90/52/30/433905230.db2.gz GYYJEDOZLSBVHK-WMZOPIPTSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000415006135 433970396 /nfs/dbraw/zinc/97/03/96/433970396.db2.gz KACRVAPOAJOBPG-GEALJGNFSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000415006135 433970407 /nfs/dbraw/zinc/97/04/07/433970407.db2.gz KACRVAPOAJOBPG-GEALJGNFSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422790212 434006796 /nfs/dbraw/zinc/00/67/96/434006796.db2.gz PHUNBQURQUNBRF-FXAWDEMLSA-N 2 3 315.505 3.150 20 0 DGADHP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000422809853 434018789 /nfs/dbraw/zinc/01/87/89/434018789.db2.gz SMDDPDCBPMXPMI-VQTJNVASSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422886768 434083791 /nfs/dbraw/zinc/08/37/91/434083791.db2.gz XNPWZEKXYUJFEH-UWVAXJGDSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422886768 434083801 /nfs/dbraw/zinc/08/38/01/434083801.db2.gz XNPWZEKXYUJFEH-UWVAXJGDSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422852160 434050376 /nfs/dbraw/zinc/05/03/76/434050376.db2.gz ADVIVDBZMJHSGB-MNEFBYGVSA-N 2 3 301.478 3.030 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422852160 434050387 /nfs/dbraw/zinc/05/03/87/434050387.db2.gz ADVIVDBZMJHSGB-MNEFBYGVSA-N 2 3 301.478 3.030 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422915813 434108751 /nfs/dbraw/zinc/10/87/51/434108751.db2.gz ZDQXLHGKBJPVFE-LPHOPBHVSA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422915813 434108764 /nfs/dbraw/zinc/10/87/64/434108764.db2.gz ZDQXLHGKBJPVFE-LPHOPBHVSA-N 2 3 303.494 3.005 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422971942 434149047 /nfs/dbraw/zinc/14/90/47/434149047.db2.gz ZEKYYYNMHZJMNG-IRXDYDNUSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423006915 434164358 /nfs/dbraw/zinc/16/43/58/434164358.db2.gz WUFCCRQYLZTDDT-IMBTUZDBSA-N 2 3 303.494 3.003 20 0 DGADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423006915 434164369 /nfs/dbraw/zinc/16/43/69/434164369.db2.gz WUFCCRQYLZTDDT-IMBTUZDBSA-N 2 3 303.494 3.003 20 0 DGADHP C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)CC[NH+]1CCCC1 ZINC000423139923 434244528 /nfs/dbraw/zinc/24/45/28/434244528.db2.gz WXPVKKCGJNIFJV-GBESFXJTSA-N 2 3 307.526 3.153 20 0 DGADHP CC[NH2+][C@H](C)CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423385857 434395396 /nfs/dbraw/zinc/39/53/96/434395396.db2.gz KYEBVDPCZDKWHV-IPJUCJBFSA-N 2 3 303.494 3.017 20 0 DGADHP CC[NH2+][C@H](C)CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423385857 434395408 /nfs/dbraw/zinc/39/54/08/434395408.db2.gz KYEBVDPCZDKWHV-IPJUCJBFSA-N 2 3 303.494 3.017 20 0 DGADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422781179 295248768 /nfs/dbraw/zinc/24/87/68/295248768.db2.gz DYGCGWNGFMHVMB-PMACEKPBSA-N 2 3 315.505 3.280 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000459782658 434720247 /nfs/dbraw/zinc/72/02/47/434720247.db2.gz MTPVPVSFOYWWHP-GGPKGHCWSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000459782658 434720252 /nfs/dbraw/zinc/72/02/52/434720252.db2.gz MTPVPVSFOYWWHP-GGPKGHCWSA-N 2 3 321.553 3.351 20 0 DGADHP CC[N@H+](CCC1CCN(CC[C@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000537848791 435469632 /nfs/dbraw/zinc/46/96/32/435469632.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 2 3 321.553 3.305 20 0 DGADHP CC[N@@H+](CCC1CCN(CC[C@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000537848791 435469636 /nfs/dbraw/zinc/46/96/36/435469636.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+](CCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1)CC1CC1 ZINC000537848791 435469641 /nfs/dbraw/zinc/46/96/41/435469641.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+](CCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1)CC1CC1 ZINC000537848791 435469644 /nfs/dbraw/zinc/46/96/44/435469644.db2.gz AMYNRMBIHHDFTB-HXUWFJFHSA-N 2 3 321.553 3.305 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000649411866 435580871 /nfs/dbraw/zinc/58/08/71/435580871.db2.gz KSFVPKOOQWHINF-UYAOXDASSA-N 2 3 321.553 3.353 20 0 DGADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000649411866 435580875 /nfs/dbraw/zinc/58/08/75/435580875.db2.gz KSFVPKOOQWHINF-UYAOXDASSA-N 2 3 321.553 3.353 20 0 DGADHP CC[N@H+](CCCN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000650710211 435999750 /nfs/dbraw/zinc/99/97/50/435999750.db2.gz HWSRAQNJBUMAND-KZNAEPCWSA-N 2 3 307.526 3.009 20 0 DGADHP CC[N@@H+](CCCN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000650710211 435999755 /nfs/dbraw/zinc/99/97/55/435999755.db2.gz HWSRAQNJBUMAND-KZNAEPCWSA-N 2 3 307.526 3.009 20 0 DGADHP CCN(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000650710211 435999760 /nfs/dbraw/zinc/99/97/60/435999760.db2.gz HWSRAQNJBUMAND-KZNAEPCWSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000309837151 533845840 /nfs/dbraw/zinc/84/58/40/533845840.db2.gz IVHPXYMUHAQHKE-UYAOXDASSA-N 2 3 317.521 3.396 20 0 DGADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422790216 534071992 /nfs/dbraw/zinc/07/19/92/534071992.db2.gz PHUNBQURQUNBRF-XLIONFOSSA-N 2 3 315.505 3.150 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925552828 618490382 /nfs/dbraw/zinc/49/03/82/618490382.db2.gz LJSJAOJTOVUPDL-MISYRCLQSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925552828 618490383 /nfs/dbraw/zinc/49/03/83/618490383.db2.gz LJSJAOJTOVUPDL-MISYRCLQSA-N 2 3 321.553 3.399 20 0 DGADHP C(CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC[NH+]1CCCC1 ZINC000925677170 618526892 /nfs/dbraw/zinc/52/68/92/618526892.db2.gz OOTUQMLBCZHFNQ-RBUKOAKNSA-N 2 3 307.526 3.010 20 0 DGADHP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925861417 618647974 /nfs/dbraw/zinc/64/79/74/618647974.db2.gz PLBSAOFZFOSIKJ-WBFXSEPVSA-N 2 3 319.537 3.151 20 0 DGADHP CC[NH+](CC)CCCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904333273 619914232 /nfs/dbraw/zinc/91/42/32/619914232.db2.gz WFRRPCAUABIIHH-IBGZPJMESA-N 2 3 309.542 3.210 20 0 DGADHP CC[NH+](CC)CCCC1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904333273 619914234 /nfs/dbraw/zinc/91/42/34/619914234.db2.gz WFRRPCAUABIIHH-IBGZPJMESA-N 2 3 309.542 3.210 20 0 DGADHP C[C@@H](CN[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000925485615 627741080 /nfs/dbraw/zinc/74/10/80/627741080.db2.gz OMAFZQSPEDZIHC-HKUYNNGSSA-N 2 3 303.494 3.178 20 0 DGADHP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)CN1CCCCC1 ZINC000925485615 627741084 /nfs/dbraw/zinc/74/10/84/627741084.db2.gz OMAFZQSPEDZIHC-HKUYNNGSSA-N 2 3 303.494 3.178 20 0 DGADHP C[C@H]1CCCCN1CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925513323 627745099 /nfs/dbraw/zinc/74/50/99/627745099.db2.gz JDQSTKWGNYNQBQ-HKUYNNGSSA-N 2 3 303.494 3.321 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497064 1090983719 /nfs/dbraw/zinc/98/37/19/1090983719.db2.gz LKKXAKYLNHZYEK-AZUAARDMSA-N 2 3 321.553 3.305 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC001204497064 1090983722 /nfs/dbraw/zinc/98/37/22/1090983722.db2.gz LKKXAKYLNHZYEK-AZUAARDMSA-N 2 3 321.553 3.305 20 0 DGADHP C[NH+](C)Cc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001204654367 1091012151 /nfs/dbraw/zinc/01/21/51/1091012151.db2.gz LVRXMEFBKUBDGI-UHFFFAOYSA-N 2 3 323.484 3.338 20 0 DGADHP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205254766 1091151293 /nfs/dbraw/zinc/15/12/93/1091151293.db2.gz AYTUZTVBERTFPN-PMACEKPBSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205254766 1091151296 /nfs/dbraw/zinc/15/12/96/1091151296.db2.gz AYTUZTVBERTFPN-PMACEKPBSA-N 2 3 315.505 3.102 20 0 DGADHP C[N@H+](CC1(C)CC[NH+](C)CC1)C1CCN(C2CCCCC2)CC1 ZINC001208116504 1092202628 /nfs/dbraw/zinc/20/26/28/1092202628.db2.gz WJMVPCOFKFTROE-UHFFFAOYSA-N 2 3 321.553 3.447 20 0 DGADHP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1CCN(C2CCCCC2)CC1 ZINC001208116504 1092202632 /nfs/dbraw/zinc/20/26/32/1092202632.db2.gz WJMVPCOFKFTROE-UHFFFAOYSA-N 2 3 321.553 3.447 20 0 DGADHP CN1C(C)(C)CC([NH2+]CC2CC[NH+](C3CCC3)CC2)CC1(C)C ZINC001171626934 1096938770 /nfs/dbraw/zinc/93/87/70/1096938770.db2.gz HTJUGLUPNXOVIK-UHFFFAOYSA-N 2 3 321.553 3.492 20 0 DGADHP C(C1CC2(C1)CC[NH2+]CC2)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236371298 1099557676 /nfs/dbraw/zinc/55/76/76/1099557676.db2.gz KMEOAKVEOVYLIU-KRWDZBQOSA-N 2 3 319.537 3.010 20 0 DGADHP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236371298 1099557682 /nfs/dbraw/zinc/55/76/82/1099557682.db2.gz KMEOAKVEOVYLIU-KRWDZBQOSA-N 2 3 319.537 3.010 20 0 DGADHP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246364501 1104509458 /nfs/dbraw/zinc/50/94/58/1104509458.db2.gz HMIZSTYHFOVXRK-ROUUACIJSA-N 2 3 309.542 3.111 20 0 DGADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246366226 1104511547 /nfs/dbraw/zinc/51/15/47/1104511547.db2.gz NHLNWBDUGNVNOI-LPHOPBHVSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CC(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246397295 1104526252 /nfs/dbraw/zinc/52/62/52/1104526252.db2.gz RFBXVYBZTYLOAH-QINHECLXSA-N 2 3 315.505 3.236 20 0 DGADHP C[C@H]1C[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246444641 1104542904 /nfs/dbraw/zinc/54/29/04/1104542904.db2.gz YMHBJALHJKYGSB-UDTPNQRGSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246444641 1104542909 /nfs/dbraw/zinc/54/29/09/1104542909.db2.gz YMHBJALHJKYGSB-UDTPNQRGSA-N 2 3 319.468 3.038 20 0 DGADHP CC(C)[N@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@@H]1CCCNCC1 ZINC001246594277 1104612928 /nfs/dbraw/zinc/61/29/28/1104612928.db2.gz PKUQYVPCDASHFW-LMDPOFIKSA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)[N@@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@@H]1CCCNCC1 ZINC001246594277 1104612934 /nfs/dbraw/zinc/61/29/34/1104612934.db2.gz PKUQYVPCDASHFW-LMDPOFIKSA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2CCNC3(CCCCC3)C2)CC1 ZINC001246779799 1104670884 /nfs/dbraw/zinc/67/08/84/1104670884.db2.gz JDTUBCSWDMQGSF-LJQANCHMSA-N 2 3 321.553 3.494 20 0 DGADHP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCNC3(CCCCC3)C2)CC1 ZINC001246779799 1104670887 /nfs/dbraw/zinc/67/08/87/1104670887.db2.gz JDTUBCSWDMQGSF-LJQANCHMSA-N 2 3 321.553 3.494 20 0 DGADHP CCCC[C@H]1C[C@H](N2CCC(CC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246979027 1104759932 /nfs/dbraw/zinc/75/99/32/1104759932.db2.gz LCZOAVHILNFPHJ-VQTJNVASSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422867859 296314016 /nfs/dbraw/zinc/31/40/16/296314016.db2.gz TYXPLAWRHJIFEB-LSTHTHJFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422867859 296314018 /nfs/dbraw/zinc/31/40/18/296314018.db2.gz TYXPLAWRHJIFEB-LSTHTHJFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415024581 296329154 /nfs/dbraw/zinc/32/91/54/296329154.db2.gz NQWMDPBWOIXSJQ-MLYOOKFZSA-N 2 3 321.553 3.384 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414838241 296329381 /nfs/dbraw/zinc/32/93/81/296329381.db2.gz LCWWBCUPIQMXQP-AOIWGVFYSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414838241 296329383 /nfs/dbraw/zinc/32/93/83/296329383.db2.gz LCWWBCUPIQMXQP-AOIWGVFYSA-N 2 3 307.526 3.009 20 0 DGADHP CCCN1CCC([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000102666084 400301854 /nfs/dbraw/zinc/30/18/54/400301854.db2.gz IDCUCEVORHMLDB-UHFFFAOYSA-N 2 3 317.521 3.492 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)CC1 ZINC000090775261 401273742 /nfs/dbraw/zinc/27/37/42/401273742.db2.gz LYHNVULCEUCEHU-CQJJOKNBSA-N 2 3 319.537 3.246 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192666905 165300407 /nfs/dbraw/zinc/30/04/07/165300407.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 2 3 315.505 3.242 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192666905 165300414 /nfs/dbraw/zinc/30/04/14/165300414.db2.gz HWGVHIDWAGCKOH-IHWFROFDSA-N 2 3 315.505 3.242 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)C1 ZINC000421379200 279688544 /nfs/dbraw/zinc/68/85/44/279688544.db2.gz WOIHSRCHQPCGIJ-KTLDDFEXSA-N 2 3 321.553 3.492 20 0 DGADHP CC1CC[NH+](Cc2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422809852 281825777 /nfs/dbraw/zinc/82/57/77/281825777.db2.gz SMDDPDCBPMXPMI-UXHICEINSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CCCC[N@H+](C)C3CC3)CC2)C1 ZINC000453388622 433146560 /nfs/dbraw/zinc/14/65/60/433146560.db2.gz BTIHTSJLOVTFHW-PXNSSMCTSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)C1 ZINC000453388622 433146567 /nfs/dbraw/zinc/14/65/67/433146567.db2.gz BTIHTSJLOVTFHW-PXNSSMCTSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(C)CC[NH2+]CC3)CC2)C1 ZINC000414906463 433908841 /nfs/dbraw/zinc/90/88/41/433908841.db2.gz PTCQZZGKTKAVIB-FUHWJXTLSA-N 2 3 307.526 3.009 20 0 DGADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422712855 433943431 /nfs/dbraw/zinc/94/34/31/433943431.db2.gz OQISLNLOHUTQDO-PXNSSMCTSA-N 2 3 315.505 3.280 20 0 DGADHP C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422735564 433959523 /nfs/dbraw/zinc/95/95/23/433959523.db2.gz FGBGDQPHBHUWIJ-IAGOWNOFSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796702 434012386 /nfs/dbraw/zinc/01/23/86/434012386.db2.gz YWXMBURKLWXWNJ-FXAWDEMLSA-N 2 3 315.505 3.150 20 0 DGADHP N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422811908 434022557 /nfs/dbraw/zinc/02/25/57/434022557.db2.gz VGJLGLBFFYPSNP-RTBURBONSA-N 2 3 301.478 3.032 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422870102 434068420 /nfs/dbraw/zinc/06/84/20/434068420.db2.gz YLMSAMRWRMWEIY-APWZRJJASA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422870102 434068427 /nfs/dbraw/zinc/06/84/27/434068427.db2.gz YLMSAMRWRMWEIY-APWZRJJASA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422870105 434068773 /nfs/dbraw/zinc/06/87/73/434068773.db2.gz YLMSAMRWRMWEIY-VQIMIIECSA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422870105 434068780 /nfs/dbraw/zinc/06/87/80/434068780.db2.gz YLMSAMRWRMWEIY-VQIMIIECSA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000422907701 434099754 /nfs/dbraw/zinc/09/97/54/434099754.db2.gz CBUMYWCMIXCIFG-MOPGFXCFSA-N 2 3 303.494 3.276 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000422907701 434099762 /nfs/dbraw/zinc/09/97/62/434099762.db2.gz CBUMYWCMIXCIFG-MOPGFXCFSA-N 2 3 303.494 3.276 20 0 DGADHP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000423319504 434357043 /nfs/dbraw/zinc/35/70/43/434357043.db2.gz FNWITRXTWUXLNR-VAMGGRTRSA-N 2 3 315.505 3.006 20 0 DGADHP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000568248291 435413573 /nfs/dbraw/zinc/41/35/73/435413573.db2.gz MIFQNZDAWMTAQR-VQTJNVASSA-N 2 3 315.505 3.278 20 0 DGADHP CC[N@H+](CCCN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000650710212 435999506 /nfs/dbraw/zinc/99/95/06/435999506.db2.gz HWSRAQNJBUMAND-OKZBNKHCSA-N 2 3 307.526 3.009 20 0 DGADHP CC[N@@H+](CCCN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000650710212 435999512 /nfs/dbraw/zinc/99/95/12/435999512.db2.gz HWSRAQNJBUMAND-OKZBNKHCSA-N 2 3 307.526 3.009 20 0 DGADHP CCN(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000650710212 435999515 /nfs/dbraw/zinc/99/95/15/435999515.db2.gz HWSRAQNJBUMAND-OKZBNKHCSA-N 2 3 307.526 3.009 20 0 DGADHP [NH3+][C@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000582496961 324237293 /nfs/dbraw/zinc/23/72/93/324237293.db2.gz LNGHGSSSSZPZQX-VQTJNVASSA-N 2 3 315.505 3.422 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+]C[C@@]3(C)CCCNC3)CC2)CC1 ZINC000904367769 619916741 /nfs/dbraw/zinc/91/67/41/619916741.db2.gz IJBONRRBCJALCK-ACBHZAAOSA-N 2 3 307.526 3.009 20 0 DGADHP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492321 621209948 /nfs/dbraw/zinc/20/99/48/621209948.db2.gz HTDSLEUESWMYGW-HKUYNNGSSA-N 2 3 303.494 3.177 20 0 DGADHP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492321 621209951 /nfs/dbraw/zinc/20/99/51/621209951.db2.gz HTDSLEUESWMYGW-HKUYNNGSSA-N 2 3 303.494 3.177 20 0 DGADHP CC(C)N1CCC[C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492321 621209954 /nfs/dbraw/zinc/20/99/54/621209954.db2.gz HTDSLEUESWMYGW-HKUYNNGSSA-N 2 3 303.494 3.177 20 0 DGADHP C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000873219778 623077683 /nfs/dbraw/zinc/07/76/83/623077683.db2.gz FVETVYNTFRVYAD-JTDSTZFVSA-N 2 3 307.526 3.007 20 0 DGADHP C[C@@H](CC[NH2+][C@@H](CCC[NH3+])c1ccccc1)N1CCCCC1 ZINC000925647914 627769932 /nfs/dbraw/zinc/76/99/32/627769932.db2.gz KIUGBXAMFXJPQD-HKUYNNGSSA-N 2 3 303.494 3.321 20 0 DGADHP COc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1C[NH+]1CCCCC1 ZINC000817953493 627973609 /nfs/dbraw/zinc/97/36/09/627973609.db2.gz PSSIJHHZNYNGBJ-HOTGVXAUSA-N 2 3 319.493 3.069 20 0 DGADHP CC1(C)[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H]2CCCN[C@@H]21 ZINC000925487225 632378614 /nfs/dbraw/zinc/37/86/14/632378614.db2.gz LWZJUTAXOWPREN-KSZLIROESA-N 2 3 307.526 3.009 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001167834057 1084148049 /nfs/dbraw/zinc/14/80/49/1084148049.db2.gz HDOPGXSJJIWZKF-GOSISDBHSA-N 2 3 318.509 3.023 20 0 DGADHP C[NH+](C)C1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001168315748 1087291915 /nfs/dbraw/zinc/29/19/15/1087291915.db2.gz NAEDAEMPCOZIQF-PGYGNJIDSA-N 2 3 319.537 3.270 20 0 DGADHP CN1C(C)(C)CC([NH2+]CCCC2CC[NH+](C)CC2)CC1(C)C ZINC001171626064 1096938438 /nfs/dbraw/zinc/93/84/38/1096938438.db2.gz UYVHHOBLYIVQMU-UHFFFAOYSA-N 2 3 309.542 3.349 20 0 DGADHP CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001171974153 1097022982 /nfs/dbraw/zinc/02/29/82/1097022982.db2.gz CKOAJBABLUZSQG-FHWLQOOXSA-N 2 3 315.505 3.289 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(s2)CCNC3)C2CCC2)CC1 ZINC001236572943 1099684858 /nfs/dbraw/zinc/68/48/58/1099684858.db2.gz XJFDNCUIMOVZAO-KOMQPUFPSA-N 2 3 319.518 3.018 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(s2)CCNC3)C2CCC2)CC1 ZINC001236572943 1099684865 /nfs/dbraw/zinc/68/48/65/1099684865.db2.gz XJFDNCUIMOVZAO-KOMQPUFPSA-N 2 3 319.518 3.018 20 0 DGADHP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001246208012 1104437125 /nfs/dbraw/zinc/43/71/25/1104437125.db2.gz ZUIOQEKUVHDEIA-QQXMDYFESA-N 2 3 315.505 3.288 20 0 DGADHP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246364498 1104509197 /nfs/dbraw/zinc/50/91/97/1104509197.db2.gz HMIZSTYHFOVXRK-MSOLQXFVSA-N 2 3 309.542 3.111 20 0 DGADHP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246366675 1104511288 /nfs/dbraw/zinc/51/12/88/1104511288.db2.gz PMBLYHMIGABKCU-UXHICEINSA-N 2 3 321.553 3.399 20 0 DGADHP CCCC[NH+]1CCC(C[NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246369296 1104514009 /nfs/dbraw/zinc/51/40/09/1104514009.db2.gz ZLKZCWOLUZDSGM-ZWKOTPCHSA-N 2 3 309.542 3.255 20 0 DGADHP CC1(C)C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246541062 1104585144 /nfs/dbraw/zinc/58/51/44/1104585144.db2.gz LMEKPVSWBGGTNB-OALUTQOASA-N 2 3 315.505 3.243 20 0 DGADHP CC1(C)C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246541062 1104585151 /nfs/dbraw/zinc/58/51/51/1104585151.db2.gz LMEKPVSWBGGTNB-OALUTQOASA-N 2 3 315.505 3.243 20 0 DGADHP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246652682 1104649226 /nfs/dbraw/zinc/64/92/26/1104649226.db2.gz HAYYKQRDZVKZDW-KSZLIROESA-N 2 3 307.526 3.007 20 0 DGADHP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CCN1 ZINC001246652682 1104649229 /nfs/dbraw/zinc/64/92/29/1104649229.db2.gz HAYYKQRDZVKZDW-KSZLIROESA-N 2 3 307.526 3.007 20 0 DGADHP CCCC[C@@H]1C[C@H](N2CCC(C3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC001246800585 1104681915 /nfs/dbraw/zinc/68/19/15/1104681915.db2.gz FNICXAJVHXRSBS-WOJBJXKFSA-N 2 3 321.553 3.351 20 0 DGADHP CCN(CC)CC[C@H](C)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001255952998 1106348187 /nfs/dbraw/zinc/34/81/87/1106348187.db2.gz HMXIYOHJFYOBCL-KRWDZBQOSA-N 2 3 309.542 3.209 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414999147 296329120 /nfs/dbraw/zinc/32/91/20/296329120.db2.gz IXOBTJIRAFQDJW-VXNCWWDNSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423542672 296329250 /nfs/dbraw/zinc/32/92/50/296329250.db2.gz MMBCIASXSGJBPM-GNVJSZRZSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414838246 287311370 /nfs/dbraw/zinc/31/13/70/287311370.db2.gz LCWWBCUPIQMXQP-ZHALLVOQSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000414838246 287311372 /nfs/dbraw/zinc/31/13/72/287311372.db2.gz LCWWBCUPIQMXQP-ZHALLVOQSA-N 2 3 307.526 3.009 20 0 DGADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000262326147 279137550 /nfs/dbraw/zinc/13/75/50/279137550.db2.gz RRVQOGLKSTWPKK-MOPGFXCFSA-N 2 3 303.494 3.136 20 0 DGADHP [NH3+]CC1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000422824590 434031981 /nfs/dbraw/zinc/03/19/81/434031981.db2.gz HKICWKVLQNOHQU-UHFFFAOYSA-N 2 3 321.534 3.067 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000422866859 434066917 /nfs/dbraw/zinc/06/69/17/434066917.db2.gz RANQUCHXLUWQTD-MOPGFXCFSA-N 2 3 303.494 3.276 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000422866859 434066926 /nfs/dbraw/zinc/06/69/26/434066926.db2.gz RANQUCHXLUWQTD-MOPGFXCFSA-N 2 3 303.494 3.276 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCNCC[C@@H]3C)CC2)CC1 ZINC000422959837 434139396 /nfs/dbraw/zinc/13/93/96/434139396.db2.gz ABEHNHRSOKJEMS-RGVPCPSESA-N 2 3 307.526 3.007 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)CC1 ZINC000422964367 434144320 /nfs/dbraw/zinc/14/43/20/434144320.db2.gz ILWXUVPPQQQGRR-RGVPCPSESA-N 2 3 307.526 3.137 20 0 DGADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423006913 434161596 /nfs/dbraw/zinc/16/15/96/434161596.db2.gz WUFCCRQYLZTDDT-BMFAXAFESA-N 2 3 303.494 3.003 20 0 DGADHP C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423006913 434161604 /nfs/dbraw/zinc/16/16/04/434161604.db2.gz WUFCCRQYLZTDDT-BMFAXAFESA-N 2 3 303.494 3.003 20 0 DGADHP CCC[NH2+]CCNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423305431 434353095 /nfs/dbraw/zinc/35/30/95/434353095.db2.gz BVPDMGDCVNILRI-UHFFFAOYSA-N 2 3 303.494 3.019 20 0 DGADHP CCC[NH2+]CCNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423305431 434353104 /nfs/dbraw/zinc/35/31/04/434353104.db2.gz BVPDMGDCVNILRI-UHFFFAOYSA-N 2 3 303.494 3.019 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000459782661 434719368 /nfs/dbraw/zinc/71/93/68/434719368.db2.gz MTPVPVSFOYWWHP-QWFCFKBJSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000459782661 434719376 /nfs/dbraw/zinc/71/93/76/434719376.db2.gz MTPVPVSFOYWWHP-QWFCFKBJSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516981866 435567922 /nfs/dbraw/zinc/56/79/22/435567922.db2.gz YMHVVUVXXACNRS-AHRSYUTCSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516981866 435567925 /nfs/dbraw/zinc/56/79/25/435567925.db2.gz YMHVVUVXXACNRS-AHRSYUTCSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656193061 435908841 /nfs/dbraw/zinc/90/88/41/435908841.db2.gz LAYGVFMGNNFXCP-UXPWSPDFSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656193061 435908845 /nfs/dbraw/zinc/90/88/45/435908845.db2.gz LAYGVFMGNNFXCP-UXPWSPDFSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650763698 436024475 /nfs/dbraw/zinc/02/44/75/436024475.db2.gz HGQNVFWAIFEMHK-LPHOPBHVSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2CC[NH2+]CC2)CC1 ZINC000650763698 436024483 /nfs/dbraw/zinc/02/44/83/436024483.db2.gz HGQNVFWAIFEMHK-LPHOPBHVSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000157556124 546041192 /nfs/dbraw/zinc/04/11/92/546041192.db2.gz IZCYRNVPIIGIJN-INIZCTEOSA-N 2 3 307.526 3.103 20 0 DGADHP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925723786 618558743 /nfs/dbraw/zinc/55/87/43/618558743.db2.gz YLIZHXVVAXBDLU-VQTJNVASSA-N 2 3 321.553 3.255 20 0 DGADHP CC[NH+]1CCC(CC[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000925152814 619054029 /nfs/dbraw/zinc/05/40/29/619054029.db2.gz UDXNQGHTEGULDG-UHFFFAOYSA-N 2 3 309.542 3.209 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889348 619826325 /nfs/dbraw/zinc/82/63/25/619826325.db2.gz RGDKOPHMXAHLBQ-KGEPEWOVSA-N 2 3 319.537 3.103 20 0 DGADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889348 619826329 /nfs/dbraw/zinc/82/63/29/619826329.db2.gz RGDKOPHMXAHLBQ-KGEPEWOVSA-N 2 3 319.537 3.103 20 0 DGADHP C[C@@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000873220008 623079058 /nfs/dbraw/zinc/07/90/58/623079058.db2.gz FVETVYNTFRVYAD-FCEWJHQRSA-N 2 3 307.526 3.007 20 0 DGADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000873242135 623087690 /nfs/dbraw/zinc/08/76/90/623087690.db2.gz MAUSGGVGHDTCKE-PMACEKPBSA-N 2 3 315.505 3.006 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000873242452 623088303 /nfs/dbraw/zinc/08/83/03/623088303.db2.gz PPWKQROLECPKCG-OAHLLOKOSA-N 2 3 318.509 3.010 20 0 DGADHP C(CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC[NH+]1CCCCC1 ZINC000925488379 627741885 /nfs/dbraw/zinc/74/18/85/627741885.db2.gz SSSUHWNLUCNSBL-VQTJNVASSA-N 2 3 321.553 3.401 20 0 DGADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925554316 627753498 /nfs/dbraw/zinc/75/34/98/627753498.db2.gz XYDNFKKNGAFJFR-RLLQIKCJSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925554316 627753502 /nfs/dbraw/zinc/75/35/02/627753502.db2.gz XYDNFKKNGAFJFR-RLLQIKCJSA-N 2 3 321.553 3.256 20 0 DGADHP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925731342 627783816 /nfs/dbraw/zinc/78/38/16/627783816.db2.gz APUJJSAGYXGXQF-CXUOOODFSA-N 2 3 307.526 3.007 20 0 DGADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC001553023329 1188890548 /nfs/dbraw/zinc/89/05/48/1188890548.db2.gz NZYPRKCQSHJDJS-DUBPFDJUSA-N 2 3 319.537 3.150 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001657303989 1196128901 /nfs/dbraw/zinc/12/89/01/1196128901.db2.gz GODUPESIYFJCEW-HXUWFJFHSA-N 2 3 321.553 3.162 20 0 DGADHP C[NH+]1CCC(CN2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001276696972 1093441875 /nfs/dbraw/zinc/44/18/75/1093441875.db2.gz ZQPNLJIHVXFNKI-HXUWFJFHSA-N 2 3 319.537 3.059 20 0 DGADHP C[NH+]1CCC(CN2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001276696972 1093441882 /nfs/dbraw/zinc/44/18/82/1093441882.db2.gz ZQPNLJIHVXFNKI-HXUWFJFHSA-N 2 3 319.537 3.059 20 0 DGADHP Cc1cc(F)ccc1CN(CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC001236515804 1099654408 /nfs/dbraw/zinc/65/44/08/1099654408.db2.gz AFQGBDRCDXVSHC-UHFFFAOYSA-N 2 3 321.484 3.207 20 0 DGADHP Cc1cc(F)ccc1C[N@H+](CCCCCC[NH3+])C1CCNCC1 ZINC001236515804 1099654417 /nfs/dbraw/zinc/65/44/17/1099654417.db2.gz AFQGBDRCDXVSHC-UHFFFAOYSA-N 2 3 321.484 3.207 20 0 DGADHP Cc1cc(F)ccc1C[N@@H+](CCCCCC[NH3+])C1CCNCC1 ZINC001236515804 1099654427 /nfs/dbraw/zinc/65/44/27/1099654427.db2.gz AFQGBDRCDXVSHC-UHFFFAOYSA-N 2 3 321.484 3.207 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CCN1 ZINC001246243297 1104455833 /nfs/dbraw/zinc/45/58/33/1104455833.db2.gz IXJUYNKXMFZTEB-YWTNHNAXSA-N 2 3 309.542 3.431 20 0 DGADHP C[C@H]1C[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407046 1104529171 /nfs/dbraw/zinc/52/91/71/1104529171.db2.gz SONXQIPPDBECJH-UDTPNQRGSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407046 1104529181 /nfs/dbraw/zinc/52/91/81/1104529181.db2.gz SONXQIPPDBECJH-UDTPNQRGSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@@H]1C[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407964 1104531407 /nfs/dbraw/zinc/53/14/07/1104531407.db2.gz WGEKGANDPZALSU-OWYHZJEWSA-N 2 3 307.526 3.279 20 0 DGADHP C[C@@H]1C[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407964 1104531416 /nfs/dbraw/zinc/53/14/16/1104531416.db2.gz WGEKGANDPZALSU-OWYHZJEWSA-N 2 3 307.526 3.279 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CCN1 ZINC001246425022 1104536962 /nfs/dbraw/zinc/53/69/62/1104536962.db2.gz VHNYFMGSORQLRP-RTBURBONSA-N 2 3 321.553 3.447 20 0 DGADHP CC(C)[N@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@H]1CCCNCC1 ZINC001246594278 1104612671 /nfs/dbraw/zinc/61/26/71/1104612671.db2.gz PKUQYVPCDASHFW-VIQWUECVSA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)[N@@H+](C1CCC2(CCC[NH2+]C2)CC1)[C@H]1CCCNCC1 ZINC001246594278 1104612680 /nfs/dbraw/zinc/61/26/80/1104612680.db2.gz PKUQYVPCDASHFW-VIQWUECVSA-N 2 3 307.526 3.151 20 0 DGADHP C1CN([C@@H]2CC[NH2+]C3(CCCCC3)C2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246609144 1104623739 /nfs/dbraw/zinc/62/37/39/1104623739.db2.gz XMPJODQESBCZMF-IEBWSBKVSA-N 2 3 305.510 3.049 20 0 DGADHP CN1C(C)(C)CC([NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1(C)C ZINC001246658884 1104651250 /nfs/dbraw/zinc/65/12/50/1104651250.db2.gz BPTIJKSENAVALN-GOSISDBHSA-N 2 3 321.553 3.492 20 0 DGADHP CCCC[C@@H]1C[C@@H](N2CCC([C@H]3CCCC[NH2+]3)CC2)CC[NH2+]1 ZINC001246660096 1104652590 /nfs/dbraw/zinc/65/25/90/1104652590.db2.gz CJJOKQUYDGSKIA-CEXWTWQISA-N 2 3 307.526 3.151 20 0 DGADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246936348 1104742414 /nfs/dbraw/zinc/74/24/14/1104742414.db2.gz HSNUDHNQDBLBLV-RLLQIKCJSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246936348 1104742419 /nfs/dbraw/zinc/74/24/19/1104742419.db2.gz HSNUDHNQDBLBLV-RLLQIKCJSA-N 2 3 319.537 3.153 20 0 DGADHP CC(C)C[NH+]1CCC(N2CCC(CC3CC[NH2+]CC3)CC2)CC1 ZINC001246976854 1104759840 /nfs/dbraw/zinc/75/98/40/1104759840.db2.gz BPKHKNNUPAJHRA-UHFFFAOYSA-N 2 3 321.553 3.209 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC001258898061 1107047100 /nfs/dbraw/zinc/04/71/00/1107047100.db2.gz FRJXAGISBOKYEW-OTWHNJEPSA-N 2 3 311.558 3.455 20 0 DGADHP C[N@@H+]1CCCC[C@H]1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587948 530053041 /nfs/dbraw/zinc/05/30/41/530053041.db2.gz BXQIARSGBFDRIH-FQEVSTJZSA-N 2 3 321.553 3.449 20 0 DGADHP C[N@H+]1CCCC[C@H]1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587948 530053042 /nfs/dbraw/zinc/05/30/42/530053042.db2.gz BXQIARSGBFDRIH-FQEVSTJZSA-N 2 3 321.553 3.449 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414999143 296329136 /nfs/dbraw/zinc/32/91/36/296329136.db2.gz IXOBTJIRAFQDJW-MTNOOBJLSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933721 132127501 /nfs/dbraw/zinc/12/75/01/132127501.db2.gz RYZPRVZWGZBYFK-PXNSSMCTSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933721 132127503 /nfs/dbraw/zinc/12/75/03/132127503.db2.gz RYZPRVZWGZBYFK-PXNSSMCTSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459791869 287311291 /nfs/dbraw/zinc/31/12/91/287311291.db2.gz SAPIGNDGSVIXHT-WSTZPKSXSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459791869 287311295 /nfs/dbraw/zinc/31/12/95/287311295.db2.gz SAPIGNDGSVIXHT-WSTZPKSXSA-N 2 3 321.553 3.351 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)CC1 ZINC000422964365 276194817 /nfs/dbraw/zinc/19/48/17/276194817.db2.gz ILWXUVPPQQQGRR-LWSMDNFKSA-N 2 3 307.526 3.137 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCNCC[C@H]3C)CC2)CC1 ZINC000422959838 276195106 /nfs/dbraw/zinc/19/51/06/276195106.db2.gz ABEHNHRSOKJEMS-UGXKVIGPSA-N 2 3 307.526 3.007 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000415006139 433971420 /nfs/dbraw/zinc/97/14/20/433971420.db2.gz KACRVAPOAJOBPG-MVJPYGJCSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000415006139 433971428 /nfs/dbraw/zinc/97/14/28/433971428.db2.gz KACRVAPOAJOBPG-MVJPYGJCSA-N 2 3 319.537 3.007 20 0 DGADHP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422781178 433991437 /nfs/dbraw/zinc/99/14/37/433991437.db2.gz DXRKBECFMQGKHA-RTBURBONSA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422795421 434010996 /nfs/dbraw/zinc/01/09/96/434010996.db2.gz VMGHCCZSSMCUNC-QFBILLFUSA-N 2 3 303.494 3.006 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422858445 434061293 /nfs/dbraw/zinc/06/12/93/434061293.db2.gz IRHPKZSIIPTLIA-APWZRJJASA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422858445 434061301 /nfs/dbraw/zinc/06/13/01/434061301.db2.gz IRHPKZSIIPTLIA-APWZRJJASA-N 2 3 303.494 3.134 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422878693 434077423 /nfs/dbraw/zinc/07/74/23/434077423.db2.gz JQRFKXSKHJMGDU-HZPDHXFCSA-N 2 3 318.509 3.154 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422878693 434077433 /nfs/dbraw/zinc/07/74/33/434077433.db2.gz JQRFKXSKHJMGDU-HZPDHXFCSA-N 2 3 318.509 3.154 20 0 DGADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422883332 434082090 /nfs/dbraw/zinc/08/20/90/434082090.db2.gz QMJAKZLDJBOQLZ-XUVXKRRUSA-N 2 3 321.553 3.399 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422915814 434109437 /nfs/dbraw/zinc/10/94/37/434109437.db2.gz ZDQXLHGKBJPVFE-QFBILLFUSA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422915814 434109448 /nfs/dbraw/zinc/10/94/48/434109448.db2.gz ZDQXLHGKBJPVFE-QFBILLFUSA-N 2 3 303.494 3.005 20 0 DGADHP C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422968477 434144020 /nfs/dbraw/zinc/14/40/20/434144020.db2.gz RDKCAYRGMPMSAC-RGVPCPSESA-N 2 3 307.526 3.150 20 0 DGADHP C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC[NH+]1CCCC1 ZINC000423139925 434245146 /nfs/dbraw/zinc/24/51/46/434245146.db2.gz WXPVKKCGJNIFJV-IPMKNSEASA-N 2 3 307.526 3.153 20 0 DGADHP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000423319505 434361679 /nfs/dbraw/zinc/36/16/79/434361679.db2.gz FNWITRXTWUXLNR-XUVXKRRUSA-N 2 3 315.505 3.006 20 0 DGADHP [NH3+][C@@H]1C[C@H](NCCCCCC2CC[NH2+]CC2)c2ccccc21 ZINC000925806592 618624161 /nfs/dbraw/zinc/62/41/61/618624161.db2.gz FXKGQBPIWQWWEV-MOPGFXCFSA-N 2 3 301.478 3.281 20 0 DGADHP C[C@@H]1CCCCN1CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925513324 627744815 /nfs/dbraw/zinc/74/48/15/627744815.db2.gz JDQSTKWGNYNQBQ-IEBWSBKVSA-N 2 3 303.494 3.321 20 0 DGADHP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925552973 627752544 /nfs/dbraw/zinc/75/25/44/627752544.db2.gz LWLCWSDHLQOWIT-XSLAGTTESA-N 2 3 307.526 3.007 20 0 DGADHP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925552973 627752547 /nfs/dbraw/zinc/75/25/47/627752547.db2.gz LWLCWSDHLQOWIT-XSLAGTTESA-N 2 3 307.526 3.007 20 0 DGADHP CC1CC[NH+](C[C@@H]2CCCN(CCCCCCC[NH3+])C2)CC1 ZINC000844221218 630712902 /nfs/dbraw/zinc/71/29/02/630712902.db2.gz AMYGRYZQDRALBG-LJQANCHMSA-N 2 3 309.542 3.340 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000131321346 1201149031 /nfs/dbraw/zinc/14/90/31/1201149031.db2.gz OWAVZSRMKGZWJQ-QGZVFWFLSA-N 2 3 309.542 3.494 20 0 DGADHP CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207487293 1091984298 /nfs/dbraw/zinc/98/42/98/1091984298.db2.gz WZBVNLQNIDTJCV-OALUTQOASA-N 2 3 307.526 3.057 20 0 DGADHP CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487293 1091984304 /nfs/dbraw/zinc/98/43/04/1091984304.db2.gz WZBVNLQNIDTJCV-OALUTQOASA-N 2 3 307.526 3.057 20 0 DGADHP CC[NH+](CC)C1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC001173102457 1097329634 /nfs/dbraw/zinc/32/96/34/1097329634.db2.gz YGXSBPPDTBXEFU-VIQWUECVSA-N 2 3 309.542 3.494 20 0 DGADHP C(C[NH2+]C1CCCCC1)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426110 1099019440 /nfs/dbraw/zinc/01/94/40/1099019440.db2.gz NHDKAWRIYDMPBH-MSOLQXFVSA-N 2 3 307.526 3.010 20 0 DGADHP CC[NH+]1CCC(CC2CCN(CC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001236194839 1099458423 /nfs/dbraw/zinc/45/84/23/1099458423.db2.gz QWYHHBYXXAFZKM-FQEVSTJZSA-N 2 3 321.553 3.353 20 0 DGADHP C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337881 1104497884 /nfs/dbraw/zinc/49/78/84/1104497884.db2.gz XDGADBPFAMUQTK-MJGOQNOKSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337881 1104497890 /nfs/dbraw/zinc/49/78/90/1104497890.db2.gz XDGADBPFAMUQTK-MJGOQNOKSA-N 2 3 315.505 3.006 20 0 DGADHP CC[C@@H]1CC([N@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@@H](CC)N1 ZINC001246782820 1104672040 /nfs/dbraw/zinc/67/20/40/1104672040.db2.gz UYDZAGXXCSSYQI-QZTJIDSGSA-N 2 3 309.542 3.348 20 0 DGADHP CC[C@@H]1CC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@@H](CC)N1 ZINC001246782820 1104672043 /nfs/dbraw/zinc/67/20/43/1104672043.db2.gz UYDZAGXXCSSYQI-QZTJIDSGSA-N 2 3 309.542 3.348 20 0 DGADHP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3C[C@@H](C)N[C@@H](C)C3)CC2)CC1 ZINC001246900288 1104728244 /nfs/dbraw/zinc/72/82/44/1104728244.db2.gz HLJPCIJEOGGRRN-XEMDLRDOSA-N 2 3 321.553 3.349 20 0 DGADHP CCCC[N@H+](C)CC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000472755308 535214747 /nfs/dbraw/zinc/21/47/47/535214747.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 2 3 309.542 3.305 20 0 DGADHP CCCC[N@@H+](C)CC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000472755308 535214751 /nfs/dbraw/zinc/21/47/51/535214751.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 2 3 309.542 3.305 20 0 DGADHP CCCC[NH+](C)CC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472755308 535214754 /nfs/dbraw/zinc/21/47/54/535214754.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 2 3 309.542 3.305 20 0 DGADHP CCCC[NH+](C)CC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472755308 535214756 /nfs/dbraw/zinc/21/47/56/535214756.db2.gz RQVRDCFDWZERNU-LJQANCHMSA-N 2 3 309.542 3.305 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000635004322 401399181 /nfs/dbraw/zinc/39/91/81/401399181.db2.gz CXIFZLXYEHJHBZ-YWTNHNAXSA-N 2 3 307.526 3.137 20 0 DGADHP CC[NH+](CC)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192693599 165301851 /nfs/dbraw/zinc/30/18/51/165301851.db2.gz INIAQCCPEIGRDM-IHWFROFDSA-N 2 3 315.505 3.243 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422910226 279384144 /nfs/dbraw/zinc/38/41/44/279384144.db2.gz HQDSYWKQDKEDMI-RTBURBONSA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422910226 279384146 /nfs/dbraw/zinc/38/41/46/279384146.db2.gz HQDSYWKQDKEDMI-RTBURBONSA-N 2 3 303.494 3.134 20 0 DGADHP CCCN1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000177976483 432680026 /nfs/dbraw/zinc/68/00/26/432680026.db2.gz FFKLLKODGBHFFX-UHFFFAOYSA-N 2 3 317.521 3.491 20 0 DGADHP CCCN1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000177976483 432680028 /nfs/dbraw/zinc/68/00/28/432680028.db2.gz FFKLLKODGBHFFX-UHFFFAOYSA-N 2 3 317.521 3.491 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000245574349 432845764 /nfs/dbraw/zinc/84/57/64/432845764.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 2 3 321.553 3.447 20 0 DGADHP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000245574349 432845765 /nfs/dbraw/zinc/84/57/65/432845765.db2.gz HISWUFHTHXNMBR-UYAOXDASSA-N 2 3 321.553 3.447 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453403506 433157235 /nfs/dbraw/zinc/15/72/35/433157235.db2.gz OOXJUGBPYLUXFP-XLIONFOSSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453403506 433157241 /nfs/dbraw/zinc/15/72/41/433157241.db2.gz OOXJUGBPYLUXFP-XLIONFOSSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCC[N@H+](C)C2CC2)CC1 ZINC000453403506 433157253 /nfs/dbraw/zinc/15/72/53/433157253.db2.gz OOXJUGBPYLUXFP-XLIONFOSSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCC[N@@H+](C)C2CC2)CC1 ZINC000453403506 433157262 /nfs/dbraw/zinc/15/72/62/433157262.db2.gz OOXJUGBPYLUXFP-XLIONFOSSA-N 2 3 321.553 3.494 20 0 DGADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422693277 433935488 /nfs/dbraw/zinc/93/54/88/433935488.db2.gz LTGLZZFKIJCUCS-OALUTQOASA-N 2 3 303.494 3.136 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422735040 433963389 /nfs/dbraw/zinc/96/33/89/433963389.db2.gz UIVAEENDBOVRSZ-CABCVRRESA-N 2 3 306.498 3.010 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000415018392 433971520 /nfs/dbraw/zinc/97/15/20/433971520.db2.gz BOKVSMQTLXKZRU-SOAMZJECSA-N 2 3 321.553 3.384 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000414962639 433940510 /nfs/dbraw/zinc/94/05/10/433940510.db2.gz JXZQSSGHYBNHRH-AOIWGVFYSA-N 2 3 307.526 3.151 20 0 DGADHP CC1CC[NH+](Cc2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000422809851 434020215 /nfs/dbraw/zinc/02/02/15/434020215.db2.gz SMDDPDCBPMXPMI-PMACEKPBSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422875669 434073011 /nfs/dbraw/zinc/07/30/11/434073011.db2.gz FOEZCQAJMGAKDT-UWVAXJGDSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422875669 434073020 /nfs/dbraw/zinc/07/30/20/434073020.db2.gz FOEZCQAJMGAKDT-UWVAXJGDSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422883997 434083756 /nfs/dbraw/zinc/08/37/56/434083756.db2.gz RCMYRLUYAAGQCE-GVDBMIGSSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422883997 434083765 /nfs/dbraw/zinc/08/37/65/434083765.db2.gz RCMYRLUYAAGQCE-GVDBMIGSSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000422856756 434056677 /nfs/dbraw/zinc/05/66/77/434056677.db2.gz GIRBJZRBAYIPMC-ULQDDVLXSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000422856756 434056689 /nfs/dbraw/zinc/05/66/89/434056689.db2.gz GIRBJZRBAYIPMC-ULQDDVLXSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422856753 434057564 /nfs/dbraw/zinc/05/75/64/434057564.db2.gz GIRBJZRBAYIPMC-IXDOHACOSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000422856753 434057573 /nfs/dbraw/zinc/05/75/73/434057573.db2.gz GIRBJZRBAYIPMC-IXDOHACOSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000423556325 434490836 /nfs/dbraw/zinc/49/08/36/434490836.db2.gz YZYGLOMNUBAREP-GNVJSZRZSA-N 2 3 319.537 3.007 20 0 DGADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422790251 295255980 /nfs/dbraw/zinc/25/59/80/295255980.db2.gz XLWXODSGEAFCCT-PMACEKPBSA-N 2 3 315.505 3.280 20 0 DGADHP [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000422790254 295273419 /nfs/dbraw/zinc/27/34/19/295273419.db2.gz XLWXODSGEAFCCT-WOJBJXKFSA-N 2 3 315.505 3.280 20 0 DGADHP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC000531722033 435112722 /nfs/dbraw/zinc/11/27/22/435112722.db2.gz YGPGLAPFIMIFDK-IEBWSBKVSA-N 2 3 309.542 3.349 20 0 DGADHP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC000531722035 435113544 /nfs/dbraw/zinc/11/35/44/435113544.db2.gz YGPGLAPFIMIFDK-PKOBYXMFSA-N 2 3 309.542 3.349 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000643522589 435341869 /nfs/dbraw/zinc/34/18/69/435341869.db2.gz PTCVEINPFFEZRG-HDYDNRTBSA-N 2 3 315.505 3.161 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000643522589 435341874 /nfs/dbraw/zinc/34/18/74/435341874.db2.gz PTCVEINPFFEZRG-HDYDNRTBSA-N 2 3 315.505 3.161 20 0 DGADHP [NH3+][C@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000579731961 323912328 /nfs/dbraw/zinc/91/23/28/323912328.db2.gz QFQIQQQLXZGVHW-OALUTQOASA-N 2 3 301.478 3.032 20 0 DGADHP CC(C)CCN1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000926734233 618102151 /nfs/dbraw/zinc/10/21/51/618102151.db2.gz ZIKYFTLLGLGKFG-UHFFFAOYSA-N 2 3 321.553 3.209 20 0 DGADHP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616159 627763437 /nfs/dbraw/zinc/76/34/37/627763437.db2.gz KJZMYKQKRDXLLS-QUCCMNQESA-N 2 3 317.521 3.424 20 0 DGADHP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616159 627763443 /nfs/dbraw/zinc/76/34/43/627763443.db2.gz KJZMYKQKRDXLLS-QUCCMNQESA-N 2 3 317.521 3.424 20 0 DGADHP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925731344 627783684 /nfs/dbraw/zinc/78/36/84/627783684.db2.gz APUJJSAGYXGXQF-QGLXBCBXSA-N 2 3 307.526 3.007 20 0 DGADHP CC[NH+](CC)Cc1cc([C@@H](C)NCCC(C)(C)[NH3+])ccc1OC ZINC000925739653 627785415 /nfs/dbraw/zinc/78/54/15/627785415.db2.gz BVNJXHNMLQVQQY-OAHLLOKOSA-N 2 3 321.509 3.315 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001461958083 1182885156 /nfs/dbraw/zinc/88/51/56/1182885156.db2.gz PQFNRFMDXAZDHM-FQEVSTJZSA-N 2 3 321.553 3.306 20 0 DGADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001550943177 1188672973 /nfs/dbraw/zinc/67/29/73/1188672973.db2.gz CWEQFVSCSPBSFJ-KZIZELGASA-N 2 3 319.537 3.150 20 0 DGADHP [NH3+]CCC[C@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981850 1085933676 /nfs/dbraw/zinc/93/36/76/1085933676.db2.gz NFJNFLYZZKIWQB-BLMTVLTRSA-N 2 3 319.537 3.233 20 0 DGADHP [NH3+]CCC[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981850 1085933685 /nfs/dbraw/zinc/93/36/85/1085933685.db2.gz NFJNFLYZZKIWQB-BLMTVLTRSA-N 2 3 319.537 3.233 20 0 DGADHP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001171962694 1097006758 /nfs/dbraw/zinc/00/67/58/1097006758.db2.gz CKOAJBABLUZSQG-IPMKNSEASA-N 2 3 315.505 3.289 20 0 DGADHP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH2+]C3CCNCC3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001246308517 1104482259 /nfs/dbraw/zinc/48/22/59/1104482259.db2.gz LBACUYRQVRIDLH-VFCLNGDNSA-N 2 3 321.553 3.286 20 0 DGADHP C[C@@H]1CC([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C[C@@H](C)N1 ZINC001246366683 1104511697 /nfs/dbraw/zinc/51/16/97/1104511697.db2.gz PRBAZHSCQMUBOQ-IAGOWNOFSA-N 2 3 321.553 3.397 20 0 DGADHP C[C@H]1C[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407961 1104530596 /nfs/dbraw/zinc/53/05/96/1104530596.db2.gz WGEKGANDPZALSU-DSLXNQLJSA-N 2 3 307.526 3.279 20 0 DGADHP C[C@H]1C[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407961 1104530609 /nfs/dbraw/zinc/53/06/09/1104530609.db2.gz WGEKGANDPZALSU-DSLXNQLJSA-N 2 3 307.526 3.279 20 0 DGADHP C[C@@H]1C[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407963 1104530910 /nfs/dbraw/zinc/53/09/10/1104530910.db2.gz WGEKGANDPZALSU-NXWXRZEISA-N 2 3 307.526 3.279 20 0 DGADHP C[C@@H]1C[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246407963 1104530920 /nfs/dbraw/zinc/53/09/20/1104530920.db2.gz WGEKGANDPZALSU-NXWXRZEISA-N 2 3 307.526 3.279 20 0 DGADHP C[C@@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246444636 1104542829 /nfs/dbraw/zinc/54/28/29/1104542829.db2.gz YMHBJALHJKYGSB-AXUOBQJMSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246444636 1104542838 /nfs/dbraw/zinc/54/28/38/1104542838.db2.gz YMHBJALHJKYGSB-AXUOBQJMSA-N 2 3 319.468 3.038 20 0 DGADHP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246448177 1104543692 /nfs/dbraw/zinc/54/36/92/1104543692.db2.gz RRVSZZDSTRFJSP-LEAZDLGRSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246448177 1104543699 /nfs/dbraw/zinc/54/36/99/1104543699.db2.gz RRVSZZDSTRFJSP-LEAZDLGRSA-N 2 3 315.505 3.207 20 0 DGADHP C1CN([C@@H]2CC[NH2+]C3(CCCCC3)C2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246609148 1104623692 /nfs/dbraw/zinc/62/36/92/1104623692.db2.gz XMPJODQESBCZMF-MJGOQNOKSA-N 2 3 305.510 3.049 20 0 DGADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246936346 1104743531 /nfs/dbraw/zinc/74/35/31/1104743531.db2.gz HSNUDHNQDBLBLV-MISYRCLQSA-N 2 3 319.537 3.153 20 0 DGADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246936346 1104743538 /nfs/dbraw/zinc/74/35/38/1104743538.db2.gz HSNUDHNQDBLBLV-MISYRCLQSA-N 2 3 319.537 3.153 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414999142 296329398 /nfs/dbraw/zinc/32/93/98/296329398.db2.gz IXOBTJIRAFQDJW-DFEOGRTESA-N 2 3 307.526 3.137 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000635004320 401399639 /nfs/dbraw/zinc/39/96/39/401399639.db2.gz CXIFZLXYEHJHBZ-LSTDLKDCSA-N 2 3 307.526 3.137 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192761526 165305801 /nfs/dbraw/zinc/30/58/01/165305801.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 3 315.505 3.242 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192761526 165305806 /nfs/dbraw/zinc/30/58/06/165305806.db2.gz FHLIKKQYMCVREU-IHWFROFDSA-N 2 3 315.505 3.242 20 0 DGADHP CC[NH+](CC)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000193203479 165319990 /nfs/dbraw/zinc/31/99/90/165319990.db2.gz YHDRVXFJPMJIBC-IHWFROFDSA-N 2 3 315.505 3.243 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000422855437 287355595 /nfs/dbraw/zinc/35/55/95/287355595.db2.gz DXKIEGQOXNFICR-AHRSYUTCSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000422855437 287355598 /nfs/dbraw/zinc/35/55/98/287355598.db2.gz DXKIEGQOXNFICR-AHRSYUTCSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]([NH3+])C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000347078502 264152666 /nfs/dbraw/zinc/15/26/66/264152666.db2.gz VVAZUHCMKILKAB-QGZVFWFLSA-N 2 3 317.521 3.204 20 0 DGADHP C[C@@H]([NH3+])C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347078502 264152668 /nfs/dbraw/zinc/15/26/68/264152668.db2.gz VVAZUHCMKILKAB-QGZVFWFLSA-N 2 3 317.521 3.204 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)C1 ZINC000421379199 433525703 /nfs/dbraw/zinc/52/57/03/433525703.db2.gz WOIHSRCHQPCGIJ-CLPROHDKSA-N 2 3 321.553 3.492 20 0 DGADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000356900334 433756129 /nfs/dbraw/zinc/75/61/29/433756129.db2.gz YOJXANVNKLBTIE-FXAWDEMLSA-N 2 3 315.505 3.102 20 0 DGADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000356900334 433756135 /nfs/dbraw/zinc/75/61/35/433756135.db2.gz YOJXANVNKLBTIE-FXAWDEMLSA-N 2 3 315.505 3.102 20 0 DGADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422789929 434005073 /nfs/dbraw/zinc/00/50/73/434005073.db2.gz SSVFYMYJKXEMGY-VQIMIIECSA-N 2 3 303.494 3.006 20 0 DGADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422789917 434007261 /nfs/dbraw/zinc/00/72/61/434007261.db2.gz SSVFYMYJKXEMGY-APWZRJJASA-N 2 3 303.494 3.006 20 0 DGADHP NC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823715 434032426 /nfs/dbraw/zinc/03/24/26/434032426.db2.gz DZQXFSPZGMMHMT-SJLPKXTDSA-N 2 3 321.534 3.067 20 0 DGADHP C[C@@H](CCCC[NH3+])[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000422835041 434039995 /nfs/dbraw/zinc/03/99/95/434039995.db2.gz XZYBTUVEVSHGJA-HNNXBMFYSA-N 2 3 309.523 3.067 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422866862 434067911 /nfs/dbraw/zinc/06/79/11/434067911.db2.gz RANQUCHXLUWQTD-RBUKOAKNSA-N 2 3 303.494 3.276 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422866862 434067921 /nfs/dbraw/zinc/06/79/21/434067921.db2.gz RANQUCHXLUWQTD-RBUKOAKNSA-N 2 3 303.494 3.276 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422878690 434075302 /nfs/dbraw/zinc/07/53/02/434075302.db2.gz JQRFKXSKHJMGDU-HOTGVXAUSA-N 2 3 318.509 3.154 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422878690 434075314 /nfs/dbraw/zinc/07/53/14/434075314.db2.gz JQRFKXSKHJMGDU-HOTGVXAUSA-N 2 3 318.509 3.154 20 0 DGADHP C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000397493830 434438609 /nfs/dbraw/zinc/43/86/09/434438609.db2.gz NVZVEVJMVDZXEZ-XLIONFOSSA-N 2 3 315.505 3.019 20 0 DGADHP CCCN1CCC([NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000462113477 434901070 /nfs/dbraw/zinc/90/10/70/434901070.db2.gz WWLJFDXFCBWKOD-HKUYNNGSSA-N 2 3 309.542 3.351 20 0 DGADHP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000584361566 337101651 /nfs/dbraw/zinc/10/16/51/337101651.db2.gz VMMMOXDANMYLMY-WOJBJXKFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000414837094 518179336 /nfs/dbraw/zinc/17/93/36/518179336.db2.gz KASKPYVSFJNFLR-LMMKCTJWSA-N 2 3 307.526 3.009 20 0 DGADHP CCCN1CCC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000154840308 546021234 /nfs/dbraw/zinc/02/12/34/546021234.db2.gz RRCHIGVJHMIAJI-UHFFFAOYSA-N 2 3 317.521 3.491 20 0 DGADHP CCCN1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000154840308 546021237 /nfs/dbraw/zinc/02/12/37/546021237.db2.gz RRCHIGVJHMIAJI-UHFFFAOYSA-N 2 3 317.521 3.491 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925552830 618490262 /nfs/dbraw/zinc/49/02/62/618490262.db2.gz LJSJAOJTOVUPDL-YZGWKJHDSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925552830 618490264 /nfs/dbraw/zinc/49/02/64/618490264.db2.gz LJSJAOJTOVUPDL-YZGWKJHDSA-N 2 3 321.553 3.399 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CNCC2(C)C)CC1 ZINC000902444443 619637121 /nfs/dbraw/zinc/63/71/21/619637121.db2.gz NQYCGILXHRDZLL-ACBHZAAOSA-N 2 3 315.505 3.017 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CNCC2(C)C)CC1 ZINC000902444443 619637122 /nfs/dbraw/zinc/63/71/22/619637122.db2.gz NQYCGILXHRDZLL-ACBHZAAOSA-N 2 3 315.505 3.017 20 0 DGADHP CC(C)[N@@H+]1CCC[C@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492327 621209801 /nfs/dbraw/zinc/20/98/01/621209801.db2.gz HTDSLEUESWMYGW-IEBWSBKVSA-N 2 3 303.494 3.177 20 0 DGADHP CC(C)[N@H+]1CCC[C@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492327 621209803 /nfs/dbraw/zinc/20/98/03/621209803.db2.gz HTDSLEUESWMYGW-IEBWSBKVSA-N 2 3 303.494 3.177 20 0 DGADHP CC(C)N1CCC[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925492327 621209806 /nfs/dbraw/zinc/20/98/06/621209806.db2.gz HTDSLEUESWMYGW-IEBWSBKVSA-N 2 3 303.494 3.177 20 0 DGADHP C[C@@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000873220009 623079249 /nfs/dbraw/zinc/07/92/49/623079249.db2.gz FVETVYNTFRVYAD-FRQCXROJSA-N 2 3 307.526 3.007 20 0 DGADHP CC1CCN(CCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925511164 627744798 /nfs/dbraw/zinc/74/47/98/627744798.db2.gz HTTUVHLBRNIFQK-IBGZPJMESA-N 2 3 303.494 3.178 20 0 DGADHP [NH3+]CCC[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000925717297 627780400 /nfs/dbraw/zinc/78/04/00/627780400.db2.gz SHHOGOKOBYZMKI-AZUAARDMSA-N 2 3 315.505 3.178 20 0 DGADHP [NH3+]CCC[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000925717297 627780403 /nfs/dbraw/zinc/78/04/03/627780403.db2.gz SHHOGOKOBYZMKI-AZUAARDMSA-N 2 3 315.505 3.178 20 0 DGADHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001575943630 1191517721 /nfs/dbraw/zinc/51/77/21/1191517721.db2.gz ZFUSYWVRSYMQMA-MDNKFWRPSA-N 2 3 315.505 3.147 20 0 DGADHP C[C@@H]1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168031564 1086462831 /nfs/dbraw/zinc/46/28/31/1086462831.db2.gz ZUIOQEKUVHDEIA-FPAYPSAMSA-N 2 3 315.505 3.288 20 0 DGADHP C[N@H+](CCC1CC[NH+](C)CC1)C1CCN(C2CCCCC2)CC1 ZINC001207488544 1091986172 /nfs/dbraw/zinc/98/61/72/1091986172.db2.gz MVTBVFUYVLMONX-UHFFFAOYSA-N 2 3 321.553 3.447 20 0 DGADHP C[N@@H+](CCC1CC[NH+](C)CC1)C1CCN(C2CCCCC2)CC1 ZINC001207488544 1091986179 /nfs/dbraw/zinc/98/61/79/1091986179.db2.gz MVTBVFUYVLMONX-UHFFFAOYSA-N 2 3 321.553 3.447 20 0 DGADHP C[NH+]1CCC(CN2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001276696971 1093441590 /nfs/dbraw/zinc/44/15/90/1093441590.db2.gz ZQPNLJIHVXFNKI-FQEVSTJZSA-N 2 3 319.537 3.059 20 0 DGADHP C[NH+]1CCC(CN2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001276696971 1093441595 /nfs/dbraw/zinc/44/15/95/1093441595.db2.gz ZQPNLJIHVXFNKI-FQEVSTJZSA-N 2 3 319.537 3.059 20 0 DGADHP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001171974154 1097023182 /nfs/dbraw/zinc/02/31/82/1097023182.db2.gz CKOAJBABLUZSQG-GBESFXJTSA-N 2 3 315.505 3.289 20 0 DGADHP CC[NH+]1CCC(CC2CCN(CC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001236194998 1099458650 /nfs/dbraw/zinc/45/86/50/1099458650.db2.gz QWYHHBYXXAFZKM-HXUWFJFHSA-N 2 3 321.553 3.353 20 0 DGADHP CC[C@@H](N)C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303956 1099523391 /nfs/dbraw/zinc/52/33/91/1099523391.db2.gz FQKHSBJIOSISFH-LJQANCHMSA-N 2 3 315.505 3.102 20 0 DGADHP CC[C@@H](N)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303956 1099523402 /nfs/dbraw/zinc/52/34/02/1099523402.db2.gz FQKHSBJIOSISFH-LJQANCHMSA-N 2 3 315.505 3.102 20 0 DGADHP CCCC[C@H]1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246255631 1104461259 /nfs/dbraw/zinc/46/12/59/1104461259.db2.gz KWUXOZOPVCFZLJ-ZWKOTPCHSA-N 2 3 307.526 3.199 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC(C)C)CC2)CCN1 ZINC001246370157 1104513460 /nfs/dbraw/zinc/51/34/60/1104513460.db2.gz XOJKABRVGVYITG-RTBURBONSA-N 2 3 309.542 3.255 20 0 DGADHP C[NH2+]CC[C@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001246370894 1104513485 /nfs/dbraw/zinc/51/34/85/1104513485.db2.gz XSBOFCHJGAHXGG-HNNXBMFYSA-N 2 3 323.912 3.140 20 0 DGADHP CCCC[C@H]1C[C@@H]([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CCN1 ZINC001246425020 1104536072 /nfs/dbraw/zinc/53/60/72/1104536072.db2.gz VHNYFMGSORQLRP-OALUTQOASA-N 2 3 321.553 3.447 20 0 DGADHP CNCC[C@@H](C)[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246441554 1104542363 /nfs/dbraw/zinc/54/23/63/1104542363.db2.gz IYGLEIRELYPEAI-BHIYHBOVSA-N 2 3 303.494 3.065 20 0 DGADHP CNCC[C@@H](C)[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246441554 1104542370 /nfs/dbraw/zinc/54/23/70/1104542370.db2.gz IYGLEIRELYPEAI-BHIYHBOVSA-N 2 3 303.494 3.065 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)CCN1 ZINC001246779496 1104670098 /nfs/dbraw/zinc/67/00/98/1104670098.db2.gz IEKVVFBKEPUDDU-RTBURBONSA-N 2 3 309.542 3.349 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CCN1 ZINC001246779496 1104670102 /nfs/dbraw/zinc/67/01/02/1104670102.db2.gz IEKVVFBKEPUDDU-RTBURBONSA-N 2 3 309.542 3.349 20 0 DGADHP CCCC[C@H]1C[C@H](N2CCC(C3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC001246800583 1104681925 /nfs/dbraw/zinc/68/19/25/1104681925.db2.gz FNICXAJVHXRSBS-VQTJNVASSA-N 2 3 321.553 3.351 20 0 DGADHP CC[C@@H]1C[C@H]([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CCN1 ZINC001246902204 1104728757 /nfs/dbraw/zinc/72/87/57/1104728757.db2.gz QOTBOSINLCEMBK-WOJBJXKFSA-N 2 3 321.553 3.351 20 0 DGADHP CC[C@@H]1C[C@H](N2CCC(CC3CC[NH+](CC)CC3)CC2)CC[NH2+]1 ZINC001246902204 1104728761 /nfs/dbraw/zinc/72/87/61/1104728761.db2.gz QOTBOSINLCEMBK-WOJBJXKFSA-N 2 3 321.553 3.351 20 0 DGADHP CC[C@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246912624 1104733510 /nfs/dbraw/zinc/73/35/10/1104733510.db2.gz UKPOZBHGEKUAEU-PCODVIEZSA-N 2 3 315.505 3.289 20 0 DGADHP CC[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246912624 1104733514 /nfs/dbraw/zinc/73/35/14/1104733514.db2.gz UKPOZBHGEKUAEU-PCODVIEZSA-N 2 3 315.505 3.289 20 0 DGADHP CC(C)[C@@H]1C[C@H]([N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246962223 1104752156 /nfs/dbraw/zinc/75/21/56/1104752156.db2.gz AXTQZABUPGSQRR-MKXGPGLRSA-N 2 3 307.526 3.135 20 0 DGADHP CC(C)[C@@H]1C[C@H]([N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246962223 1104752160 /nfs/dbraw/zinc/75/21/60/1104752160.db2.gz AXTQZABUPGSQRR-MKXGPGLRSA-N 2 3 307.526 3.135 20 0 DGADHP CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275732 282121975 /nfs/dbraw/zinc/12/19/75/282121975.db2.gz YPHZFYLRBIZUER-FQEVSTJZSA-N 2 3 315.505 3.056 20 0 DGADHP CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275732 282121978 /nfs/dbraw/zinc/12/19/78/282121978.db2.gz YPHZFYLRBIZUER-FQEVSTJZSA-N 2 3 315.505 3.056 20 0 DGADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415060299 237040733 /nfs/dbraw/zinc/04/07/33/237040733.db2.gz WFVRVJJNSZXVKE-BHIYHBOVSA-N 2 3 303.494 3.367 20 0 DGADHP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422780009 276110070 /nfs/dbraw/zinc/11/00/70/276110070.db2.gz GNPPZGBPBYPPSF-OALUTQOASA-N 2 3 303.494 3.278 20 0 DGADHP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000336719373 278169660 /nfs/dbraw/zinc/16/96/60/278169660.db2.gz RYRUPTDLASMXCQ-IEBWSBKVSA-N 2 3 303.494 3.006 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422735042 433962678 /nfs/dbraw/zinc/96/26/78/433962678.db2.gz UIVAEENDBOVRSZ-HUUCEWRRSA-N 2 3 306.498 3.010 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000378541133 293806744 /nfs/dbraw/zinc/80/67/44/293806744.db2.gz DVDJQTGGQKJMQS-IEBWSBKVSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000414962651 433941112 /nfs/dbraw/zinc/94/11/12/433941112.db2.gz JXZQSSGHYBNHRH-ZIFCJYIRSA-N 2 3 307.526 3.151 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422870103 434064871 /nfs/dbraw/zinc/06/48/71/434064871.db2.gz YLMSAMRWRMWEIY-LPHOPBHVSA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422870103 434064879 /nfs/dbraw/zinc/06/48/79/434064879.db2.gz YLMSAMRWRMWEIY-LPHOPBHVSA-N 2 3 303.494 3.005 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422880767 434078782 /nfs/dbraw/zinc/07/87/82/434078782.db2.gz MRAROQNLEAIBGU-ULQDDVLXSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000422880767 434078790 /nfs/dbraw/zinc/07/87/90/434078790.db2.gz MRAROQNLEAIBGU-ULQDDVLXSA-N 2 3 303.494 3.134 20 0 DGADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422883329 434082254 /nfs/dbraw/zinc/08/22/54/434082254.db2.gz QMJAKZLDJBOQLZ-VAMGGRTRSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422883788 434084106 /nfs/dbraw/zinc/08/41/06/434084106.db2.gz RCMYRLUYAAGQCE-BBWFWOEESA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422883788 434084107 /nfs/dbraw/zinc/08/41/07/434084107.db2.gz RCMYRLUYAAGQCE-BBWFWOEESA-N 2 3 303.494 3.276 20 0 DGADHP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422969617 434141876 /nfs/dbraw/zinc/14/18/76/434141876.db2.gz UXAITECAZCNFDD-FXAWDEMLSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422971941 434147158 /nfs/dbraw/zinc/14/71/58/434147158.db2.gz ZEKYYYNMHZJMNG-IAGOWNOFSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000423034421 434175508 /nfs/dbraw/zinc/17/55/08/434175508.db2.gz PXCVPBRAGNAQCD-RSPOEFSDSA-N 2 3 315.505 3.004 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)C1 ZINC000423556327 434490942 /nfs/dbraw/zinc/49/09/42/434490942.db2.gz YZYGLOMNUBAREP-VROUVPMXSA-N 2 3 319.537 3.007 20 0 DGADHP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC000531722032 435112942 /nfs/dbraw/zinc/11/29/42/435112942.db2.gz YGPGLAPFIMIFDK-HKUYNNGSSA-N 2 3 309.542 3.349 20 0 DGADHP CN1CCCC[C@@H]1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489295 548224134 /nfs/dbraw/zinc/22/41/34/548224134.db2.gz LGLUTOKRCZSJLX-HXUWFJFHSA-N 2 3 321.553 3.449 20 0 DGADHP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000866467547 622122885 /nfs/dbraw/zinc/12/28/85/622122885.db2.gz JWEPHHQEEKGFIN-UHFFFAOYSA-N 2 3 309.542 3.349 20 0 DGADHP CCCN1CC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886510052 627155262 /nfs/dbraw/zinc/15/52/62/627155262.db2.gz RIVDSRPTCHJUNJ-LMDPOFIKSA-N 2 3 307.526 3.105 20 0 DGADHP CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886536424 627158699 /nfs/dbraw/zinc/15/86/99/627158699.db2.gz HICTUXKXHUMLMB-YBXZHIRMSA-N 2 3 307.526 3.246 20 0 DGADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925553860 627753525 /nfs/dbraw/zinc/75/35/25/627753525.db2.gz SRXXMUAFPGVIKE-VQTJNVASSA-N 2 3 321.553 3.256 20 0 DGADHP C(CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CCC1CC[NH2+]CC1 ZINC000925808884 627798481 /nfs/dbraw/zinc/79/84/81/627798481.db2.gz QODHJSNTLZPOJE-PMACEKPBSA-N 2 3 321.553 3.304 20 0 DGADHP [NH3+]CCC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000423504669 660490960 /nfs/dbraw/zinc/49/09/60/660490960.db2.gz NRNGLDMBZBHGEP-FQEVSTJZSA-N 2 3 315.505 3.463 20 0 DGADHP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001576747735 1191867032 /nfs/dbraw/zinc/86/70/32/1191867032.db2.gz CZZYNZHRUDXJLR-FUHIMQAGSA-N 2 3 315.505 3.149 20 0 DGADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC001553023326 1188890308 /nfs/dbraw/zinc/89/03/08/1188890308.db2.gz NZYPRKCQSHJDJS-ADXGEFSYSA-N 2 3 319.537 3.150 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001657303988 1196129019 /nfs/dbraw/zinc/12/90/19/1196129019.db2.gz GODUPESIYFJCEW-FQEVSTJZSA-N 2 3 321.553 3.162 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167965490 1085852608 /nfs/dbraw/zinc/85/26/08/1085852608.db2.gz HNOGSFFKBNNHAK-OHSMVPPVSA-N 2 3 321.553 3.492 20 0 DGADHP CC(C)C[N@H+](Cc1cc2c(s1)CCNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550766 1099676025 /nfs/dbraw/zinc/67/60/25/1099676025.db2.gz MTAYTGXTKXMDFO-WKILWMFISA-N 2 3 321.534 3.122 20 0 DGADHP CC(C)C[N@@H+](Cc1cc2c(s1)CCNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550766 1099676027 /nfs/dbraw/zinc/67/60/27/1099676027.db2.gz MTAYTGXTKXMDFO-WKILWMFISA-N 2 3 321.534 3.122 20 0 DGADHP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC001246203651 1104435806 /nfs/dbraw/zinc/43/58/06/1104435806.db2.gz CKOAJBABLUZSQG-QRVBRYPASA-N 2 3 315.505 3.289 20 0 DGADHP C[C@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001246208013 1104437019 /nfs/dbraw/zinc/43/70/19/1104437019.db2.gz ZUIOQEKUVHDEIA-RNIPGJKVSA-N 2 3 315.505 3.288 20 0 DGADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246250844 1104459461 /nfs/dbraw/zinc/45/94/61/1104459461.db2.gz XIWAICRPZASEHH-IRXDYDNUSA-N 2 3 307.526 3.055 20 0 DGADHP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246364502 1104510094 /nfs/dbraw/zinc/51/00/94/1104510094.db2.gz HMIZSTYHFOVXRK-ZWKOTPCHSA-N 2 3 309.542 3.111 20 0 DGADHP CN1C(C)(C)CC([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CC1(C)C ZINC001246388024 1104520989 /nfs/dbraw/zinc/52/09/89/1104520989.db2.gz WLANASCZRJWNTB-UHFFFAOYSA-N 2 3 321.553 3.397 20 0 DGADHP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246448175 1104544045 /nfs/dbraw/zinc/54/40/45/1104544045.db2.gz RRVSZZDSTRFJSP-AFYVEPGGSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C)C2)cc1 ZINC001246448175 1104544049 /nfs/dbraw/zinc/54/40/49/1104544049.db2.gz RRVSZZDSTRFJSP-AFYVEPGGSA-N 2 3 315.505 3.207 20 0 DGADHP CC(C)(C)[NH+]1CCC(N2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001246658680 1104650551 /nfs/dbraw/zinc/65/05/51/1104650551.db2.gz VGUBYFHZDYNTGU-SFHVURJKSA-N 2 3 307.526 3.103 20 0 DGADHP CN1C(C)(C)CC([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678462 1104658187 /nfs/dbraw/zinc/65/81/87/1104658187.db2.gz NUAIIOINZJRRML-SJORKVTESA-N 2 3 321.553 3.349 20 0 DGADHP CN1C(C)(C)CC([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1(C)C ZINC001246678462 1104658190 /nfs/dbraw/zinc/65/81/90/1104658190.db2.gz NUAIIOINZJRRML-SJORKVTESA-N 2 3 321.553 3.349 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001258904063 1107049690 /nfs/dbraw/zinc/04/96/90/1107049690.db2.gz GPYBLEARXIYCMB-KRWDZBQOSA-N 2 3 309.542 3.480 20 0 DGADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000422876005 287347699 /nfs/dbraw/zinc/34/76/99/287347699.db2.gz FSTUMSYRALMFRA-IYWMVGAKSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000422876005 287347701 /nfs/dbraw/zinc/34/77/01/287347701.db2.gz FSTUMSYRALMFRA-IYWMVGAKSA-N 2 3 321.553 3.399 20 0 DGADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCNCC[C@@H]3C)CC2)CC1 ZINC000422959836 276194874 /nfs/dbraw/zinc/19/48/74/276194874.db2.gz ABEHNHRSOKJEMS-MKCYZYCBSA-N 2 3 307.526 3.007 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000415011556 433970539 /nfs/dbraw/zinc/97/05/39/433970539.db2.gz WDCBSLZFCQHONC-NTDBWNAOSA-N 2 3 307.526 3.137 20 0 DGADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422704736 433938853 /nfs/dbraw/zinc/93/88/53/433938853.db2.gz AONFPNRDSGVMBC-DLBZAZTESA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422795422 434012041 /nfs/dbraw/zinc/01/20/41/434012041.db2.gz VMGHCCZSSMCUNC-VQIMIIECSA-N 2 3 303.494 3.006 20 0 DGADHP C[C@@H]([NH3+])C[C@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422829610 434037244 /nfs/dbraw/zinc/03/72/44/434037244.db2.gz PZEFYHFUYGKAJB-SJORKVTESA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422780011 433994309 /nfs/dbraw/zinc/99/43/09/433994309.db2.gz GNPPZGBPBYPPSF-RTBURBONSA-N 2 3 303.494 3.278 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422869748 434067693 /nfs/dbraw/zinc/06/76/93/434067693.db2.gz XWTYLLAUCIPSFH-ULQDDVLXSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422869748 434067701 /nfs/dbraw/zinc/06/77/01/434067701.db2.gz XWTYLLAUCIPSFH-ULQDDVLXSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422852156 434052354 /nfs/dbraw/zinc/05/23/54/434052354.db2.gz ADVIVDBZMJHSGB-AYOQOUSVSA-N 2 3 301.478 3.030 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422852156 434052362 /nfs/dbraw/zinc/05/23/62/434052362.db2.gz ADVIVDBZMJHSGB-AYOQOUSVSA-N 2 3 301.478 3.030 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000422855439 434054648 /nfs/dbraw/zinc/05/46/48/434054648.db2.gz DXKIEGQOXNFICR-LSTHTHJFSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000422855439 434054659 /nfs/dbraw/zinc/05/46/59/434054659.db2.gz DXKIEGQOXNFICR-LSTHTHJFSA-N 2 3 315.505 3.136 20 0 DGADHP CC[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422967375 434145118 /nfs/dbraw/zinc/14/51/18/434145118.db2.gz PCVXYVVXONWCDI-GMNCBBECSA-N 2 3 307.526 3.150 20 0 DGADHP CC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCCN1 ZINC000422967375 434145131 /nfs/dbraw/zinc/14/51/31/434145131.db2.gz PCVXYVVXONWCDI-GMNCBBECSA-N 2 3 307.526 3.150 20 0 DGADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422971943 434149331 /nfs/dbraw/zinc/14/93/31/434149331.db2.gz ZEKYYYNMHZJMNG-SJORKVTESA-N 2 3 303.494 3.134 20 0 DGADHP CCCN1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000462113480 434900532 /nfs/dbraw/zinc/90/05/32/434900532.db2.gz WWLJFDXFCBWKOD-PKOBYXMFSA-N 2 3 309.542 3.351 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656193059 435909413 /nfs/dbraw/zinc/90/94/13/435909413.db2.gz LAYGVFMGNNFXCP-LSTHTHJFSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656193059 435909416 /nfs/dbraw/zinc/90/94/16/435909416.db2.gz LAYGVFMGNNFXCP-LSTHTHJFSA-N 2 3 315.505 3.421 20 0 DGADHP CC[N@H+](CCCN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000650710213 435997779 /nfs/dbraw/zinc/99/77/79/435997779.db2.gz HWSRAQNJBUMAND-RCCFBDPRSA-N 2 3 307.526 3.009 20 0 DGADHP CC[N@@H+](CCCN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000650710213 435997785 /nfs/dbraw/zinc/99/77/85/435997785.db2.gz HWSRAQNJBUMAND-RCCFBDPRSA-N 2 3 307.526 3.009 20 0 DGADHP CCN(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000650710213 435997788 /nfs/dbraw/zinc/99/77/88/435997788.db2.gz HWSRAQNJBUMAND-RCCFBDPRSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)C1 ZINC000650764056 436024536 /nfs/dbraw/zinc/02/45/36/436024536.db2.gz PLKNNROCTNMIMO-LPHOPBHVSA-N 2 3 307.526 3.009 20 0 DGADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000579731963 323912552 /nfs/dbraw/zinc/91/25/52/323912552.db2.gz QFQIQQQLXZGVHW-RTBURBONSA-N 2 3 301.478 3.032 20 0 DGADHP CC[N@H+](CCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1)CC1CC1 ZINC000904343572 619914897 /nfs/dbraw/zinc/91/48/97/619914897.db2.gz VRRNXVACYLOZEG-FQEVSTJZSA-N 2 3 321.553 3.210 20 0 DGADHP CC[N@@H+](CCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1)CC1CC1 ZINC000904343572 619914898 /nfs/dbraw/zinc/91/48/98/619914898.db2.gz VRRNXVACYLOZEG-FQEVSTJZSA-N 2 3 321.553 3.210 20 0 DGADHP CC[NH+](CC)Cc1cc([C@H](C)NCCC(C)(C)[NH3+])ccc1OC ZINC000925739652 627785408 /nfs/dbraw/zinc/78/54/08/627785408.db2.gz BVNJXHNMLQVQQY-HNNXBMFYSA-N 2 3 321.509 3.315 20 0 DGADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000262099716 655781534 /nfs/dbraw/zinc/78/15/34/655781534.db2.gz ITHOTKANBGQRPO-LPHOPBHVSA-N 2 3 303.494 3.136 20 0 DGADHP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001168012423 1086242807 /nfs/dbraw/zinc/24/28/07/1086242807.db2.gz ZUIOQEKUVHDEIA-ZRSLWSEBSA-N 2 3 315.505 3.288 20 0 DGADHP Cc1cccc(C[N@H+](C[C@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726624 1099762012 /nfs/dbraw/zinc/76/20/12/1099762012.db2.gz LJRDULOFYNMPAT-UFYCRDLUSA-N 2 3 315.505 3.067 20 0 DGADHP Cc1cccc(C[N@@H+](C[C@H]2CCCNC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726624 1099762021 /nfs/dbraw/zinc/76/20/21/1099762021.db2.gz LJRDULOFYNMPAT-UFYCRDLUSA-N 2 3 315.505 3.067 20 0 DGADHP C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246171906 1104419456 /nfs/dbraw/zinc/41/94/56/1104419456.db2.gz UHUDDQRFOZNTHH-VCWRXUFXSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246336266 1104497733 /nfs/dbraw/zinc/49/77/33/1104497733.db2.gz NZLBJFGHOZOPGF-HOJAQTOUSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246336266 1104497738 /nfs/dbraw/zinc/49/77/38/1104497738.db2.gz NZLBJFGHOZOPGF-HOJAQTOUSA-N 2 3 315.505 3.006 20 0 DGADHP CCCC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCN1 ZINC001246367874 1104512064 /nfs/dbraw/zinc/51/20/64/1104512064.db2.gz SJRFISHNWGFMNO-PMACEKPBSA-N 2 3 321.553 3.399 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+]CC2(CC3CC3)CC[NH2+]CC2)CCN1 ZINC001246394362 1104524049 /nfs/dbraw/zinc/52/40/49/1104524049.db2.gz RSABESHVROJBED-QZTJIDSGSA-N 2 3 307.526 3.057 20 0 DGADHP Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246448178 1104543471 /nfs/dbraw/zinc/54/34/71/1104543471.db2.gz RRVSZZDSTRFJSP-VBSBHUPXSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246448178 1104543479 /nfs/dbraw/zinc/54/34/79/1104543479.db2.gz RRVSZZDSTRFJSP-VBSBHUPXSA-N 2 3 315.505 3.207 20 0 DGADHP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001246546653 1104587437 /nfs/dbraw/zinc/58/74/37/1104587437.db2.gz NCKWPCRCMPECAL-HNJRGHQBSA-N 2 3 315.505 3.241 20 0 DGADHP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001246546653 1104587443 /nfs/dbraw/zinc/58/74/43/1104587443.db2.gz NCKWPCRCMPECAL-HNJRGHQBSA-N 2 3 315.505 3.241 20 0 DGADHP CN1CCC[C@H]([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246598002 1104614995 /nfs/dbraw/zinc/61/49/95/1104614995.db2.gz YNQVPHVVCTYZAW-SFHVURJKSA-N 2 3 307.526 3.107 20 0 DGADHP c1ccc([C@@H]2C[C@@H](N3CCC[C@]34CCC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246602828 1104619715 /nfs/dbraw/zinc/61/97/15/1104619715.db2.gz CSRPFTWZGYYCGH-UFYCRDLUSA-N 2 3 313.489 3.088 20 0 DGADHP C(CN1CCCCC1)C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276048853 1105005497 /nfs/dbraw/zinc/00/54/97/1105005497.db2.gz KTVSFIYNUDFPSK-UHFFFAOYSA-N 2 3 319.537 3.203 20 0 DGADHP CC(C)(C)N1CCC([NH2+]CC2CC[NH+](C3CCC3)CC2)CC1 ZINC001256565349 1106446859 /nfs/dbraw/zinc/44/68/59/1106446859.db2.gz FBSWRBKLEIPDHR-UHFFFAOYSA-N 2 3 307.526 3.103 20 0 DGADHP CCCN1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000462113478 283320818 /nfs/dbraw/zinc/32/08/18/283320818.db2.gz WWLJFDXFCBWKOD-IEBWSBKVSA-N 2 3 309.542 3.351 20 0 DGADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000415018389 237010177 /nfs/dbraw/zinc/01/01/77/237010177.db2.gz BOKVSMQTLXKZRU-CGBFIWBNSA-N 2 3 321.553 3.384 20 0 DGADHP C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)CC[NH+]1CCCCC1 ZINC000194039987 165336475 /nfs/dbraw/zinc/33/64/75/165336475.db2.gz IRUUXWKQXPOULX-KZNAEPCWSA-N 2 3 306.494 3.190 20 0 DGADHP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000245574345 432846338 /nfs/dbraw/zinc/84/63/38/432846338.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 2 3 321.553 3.447 20 0 DGADHP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000245574345 432846340 /nfs/dbraw/zinc/84/63/40/432846340.db2.gz HISWUFHTHXNMBR-AZUAARDMSA-N 2 3 321.553 3.447 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453403503 433157010 /nfs/dbraw/zinc/15/70/10/433157010.db2.gz OOXJUGBPYLUXFP-FXAWDEMLSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453403503 433157023 /nfs/dbraw/zinc/15/70/23/433157023.db2.gz OOXJUGBPYLUXFP-FXAWDEMLSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCC[N@H+](C)C2CC2)CC1 ZINC000453403503 433157033 /nfs/dbraw/zinc/15/70/33/433157033.db2.gz OOXJUGBPYLUXFP-FXAWDEMLSA-N 2 3 321.553 3.494 20 0 DGADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCC[N@@H+](C)C2CC2)CC1 ZINC000453403503 433157041 /nfs/dbraw/zinc/15/70/41/433157041.db2.gz OOXJUGBPYLUXFP-FXAWDEMLSA-N 2 3 321.553 3.494 20 0 DGADHP CC[NH+](CC)Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298536680 433172781 /nfs/dbraw/zinc/17/27/81/433172781.db2.gz SNYBQFNBEQAADM-UHFFFAOYSA-N 2 3 315.505 3.245 20 0 DGADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422704739 433939335 /nfs/dbraw/zinc/93/93/35/433939335.db2.gz AONFPNRDSGVMBC-SJORKVTESA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422794385 434008863 /nfs/dbraw/zinc/00/88/63/434008863.db2.gz YSFNQXNSSYWHCO-GUDVDZBRSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422802918 434014346 /nfs/dbraw/zinc/01/43/46/434014346.db2.gz HXFPRGCNNRLPPG-SJORKVTESA-N 2 3 303.494 3.134 20 0 DGADHP [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422781182 433993495 /nfs/dbraw/zinc/99/34/95/433993495.db2.gz DYGCGWNGFMHVMB-WOJBJXKFSA-N 2 3 315.505 3.280 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422870104 434064395 /nfs/dbraw/zinc/06/43/95/434064395.db2.gz YLMSAMRWRMWEIY-QFBILLFUSA-N 2 3 303.494 3.005 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422870104 434064402 /nfs/dbraw/zinc/06/44/02/434064402.db2.gz YLMSAMRWRMWEIY-QFBILLFUSA-N 2 3 303.494 3.005 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000422875386 434070718 /nfs/dbraw/zinc/07/07/18/434070718.db2.gz FCJDSCIKQWLSBC-HOTGVXAUSA-N 2 3 318.509 3.011 20 0 DGADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422875386 434070725 /nfs/dbraw/zinc/07/07/25/434070725.db2.gz FCJDSCIKQWLSBC-HOTGVXAUSA-N 2 3 318.509 3.011 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422875668 434071914 /nfs/dbraw/zinc/07/19/14/434071914.db2.gz FOEZCQAJMGAKDT-MBOZVWFJSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422875668 434071918 /nfs/dbraw/zinc/07/19/18/434071918.db2.gz FOEZCQAJMGAKDT-MBOZVWFJSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000422876006 434073527 /nfs/dbraw/zinc/07/35/27/434073527.db2.gz FSTUMSYRALMFRA-UAFMIMERSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000422876006 434073537 /nfs/dbraw/zinc/07/35/37/434073537.db2.gz FSTUMSYRALMFRA-UAFMIMERSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422880765 434077518 /nfs/dbraw/zinc/07/75/18/434077518.db2.gz MRAROQNLEAIBGU-IKGGRYGDSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000422880765 434077538 /nfs/dbraw/zinc/07/75/38/434077538.db2.gz MRAROQNLEAIBGU-IKGGRYGDSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422886765 434082827 /nfs/dbraw/zinc/08/28/27/434082827.db2.gz XNPWZEKXYUJFEH-FUHIMQAGSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422886765 434082834 /nfs/dbraw/zinc/08/28/34/434082834.db2.gz XNPWZEKXYUJFEH-FUHIMQAGSA-N 2 3 315.505 3.278 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000423366486 434384650 /nfs/dbraw/zinc/38/46/50/434384650.db2.gz LQMGSWDPCXNOGF-IQNGYNMSSA-N 2 3 315.505 3.289 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000423366486 434384653 /nfs/dbraw/zinc/38/46/53/434384653.db2.gz LQMGSWDPCXNOGF-IQNGYNMSSA-N 2 3 315.505 3.289 20 0 DGADHP [NH3+]CCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000423319503 434358359 /nfs/dbraw/zinc/35/83/59/434358359.db2.gz FNWITRXTWUXLNR-SLFFLAALSA-N 2 3 315.505 3.006 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000643502695 435339823 /nfs/dbraw/zinc/33/98/23/435339823.db2.gz OEOARMKDOWWMQC-GPJFCIFZSA-N 2 3 315.505 3.161 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000643502695 435339826 /nfs/dbraw/zinc/33/98/26/435339826.db2.gz OEOARMKDOWWMQC-GPJFCIFZSA-N 2 3 315.505 3.161 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000569622622 435548543 /nfs/dbraw/zinc/54/85/43/435548543.db2.gz GUSDKWFAGHTGCN-UXPWSPDFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000569622622 435548546 /nfs/dbraw/zinc/54/85/46/435548546.db2.gz GUSDKWFAGHTGCN-UXPWSPDFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000649411865 435581170 /nfs/dbraw/zinc/58/11/70/435581170.db2.gz KSFVPKOOQWHINF-QUCCMNQESA-N 2 3 321.553 3.353 20 0 DGADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000649411865 435581171 /nfs/dbraw/zinc/58/11/71/435581171.db2.gz KSFVPKOOQWHINF-QUCCMNQESA-N 2 3 321.553 3.353 20 0 DGADHP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC[NH+](CC2CC2)CC1 ZINC000665299617 435944524 /nfs/dbraw/zinc/94/45/24/435944524.db2.gz QFUHYZOQPUSMDQ-ZCNNSNEGSA-N 2 3 319.537 3.009 20 0 DGADHP C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000924577160 627651090 /nfs/dbraw/zinc/65/10/90/627651090.db2.gz CUNWYHXEGYPIMY-KRWDZBQOSA-N 2 3 303.494 3.275 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925552971 627752736 /nfs/dbraw/zinc/75/27/36/627752736.db2.gz LWLCWSDHLQOWIT-OWSLCNJRSA-N 2 3 307.526 3.007 20 0 DGADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925552971 627752739 /nfs/dbraw/zinc/75/27/39/627752739.db2.gz LWLCWSDHLQOWIT-OWSLCNJRSA-N 2 3 307.526 3.007 20 0 DGADHP CC(C)(CN[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925650262 627770479 /nfs/dbraw/zinc/77/04/79/627770479.db2.gz NBPJOKVTVYYWQT-SFHVURJKSA-N 2 3 303.494 3.178 20 0 DGADHP CC(C)(C[NH2+][C@@H](CCC[NH3+])c1ccccc1)CN1CCCC1 ZINC000925650262 627770482 /nfs/dbraw/zinc/77/04/82/627770482.db2.gz NBPJOKVTVYYWQT-SFHVURJKSA-N 2 3 303.494 3.178 20 0 DGADHP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000841074079 630404864 /nfs/dbraw/zinc/40/48/64/630404864.db2.gz DCWVJNACBLHLIW-ZVBHREPYSA-N 2 3 319.537 3.137 20 0 DGADHP CN(C)CC1(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCCC1 ZINC001222155168 1095462542 /nfs/dbraw/zinc/46/25/42/1095462542.db2.gz XAWSVMIZSJCHQD-LJQANCHMSA-N 2 3 321.553 3.354 20 0 DGADHP CN(C)CC1(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCCC1 ZINC001222155168 1095462551 /nfs/dbraw/zinc/46/25/51/1095462551.db2.gz XAWSVMIZSJCHQD-LJQANCHMSA-N 2 3 321.553 3.354 20 0 DGADHP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC001246071816 1104363617 /nfs/dbraw/zinc/36/36/17/1104363617.db2.gz AWGUKMVKTGCEAG-YLJYHZDGSA-N 2 3 315.505 3.019 20 0 DGADHP C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246169479 1104417124 /nfs/dbraw/zinc/41/71/24/1104417124.db2.gz IUQUCSQAEWPKGI-HDICACEKSA-N 2 3 321.553 3.256 20 0 DGADHP C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246171902 1104419327 /nfs/dbraw/zinc/41/93/27/1104419327.db2.gz UHUDDQRFOZNTHH-UVHRUJRTSA-N 2 3 321.553 3.256 20 0 DGADHP CC1(C)C[C@@H](N[C@@H](CC2CC[NH2+]CC2)c2ccccc2)CC[NH2+]1 ZINC001246391747 1104523121 /nfs/dbraw/zinc/52/31/21/1104523121.db2.gz GUJRPRBIGGGJLT-OALUTQOASA-N 2 3 315.505 3.238 20 0 DGADHP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246541060 1104586475 /nfs/dbraw/zinc/58/64/75/1104586475.db2.gz LMEKPVSWBGGTNB-MOPGFXCFSA-N 2 3 315.505 3.243 20 0 DGADHP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246541060 1104586484 /nfs/dbraw/zinc/58/64/84/1104586484.db2.gz LMEKPVSWBGGTNB-MOPGFXCFSA-N 2 3 315.505 3.243 20 0 DGADHP CC[C@@H]1C[C@@H]([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CCN1 ZINC001246902197 1104728788 /nfs/dbraw/zinc/72/87/88/1104728788.db2.gz QOTBOSINLCEMBK-UXHICEINSA-N 2 3 321.553 3.351 20 0 DGADHP CC[C@@H]1C[C@@H](N2CCC(CC3CC[NH+](CC)CC3)CC2)CC[NH2+]1 ZINC001246902197 1104728793 /nfs/dbraw/zinc/72/87/93/1104728793.db2.gz QOTBOSINLCEMBK-UXHICEINSA-N 2 3 321.553 3.351 20 0 DGADHP CC1(C)CC(N)CC(C)(C)[NH+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256848007 1106496476 /nfs/dbraw/zinc/49/64/76/1106496476.db2.gz JVGILQODJRFOGP-UHFFFAOYSA-N 2 3 316.493 3.031 20 0 DGADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415060305 237042455 /nfs/dbraw/zinc/04/24/55/237042455.db2.gz WFVRVJJNSZXVKE-QRQLOZEOSA-N 2 3 303.494 3.367 20 0 DGADHP CCCN1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000236794576 400981237 /nfs/dbraw/zinc/98/12/37/400981237.db2.gz STYRMRKGHRQTMB-UHFFFAOYSA-N 2 3 315.505 3.246 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415024577 299785484 /nfs/dbraw/zinc/78/54/84/299785484.db2.gz NQWMDPBWOIXSJQ-CGBFIWBNSA-N 2 3 321.553 3.384 20 0 DGADHP CC[NH+](CC)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000368433473 271158932 /nfs/dbraw/zinc/15/89/32/271158932.db2.gz KUQSPFRIEJQGJT-IHWFROFDSA-N 2 3 315.505 3.243 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422858446 279384698 /nfs/dbraw/zinc/38/46/98/279384698.db2.gz IRHPKZSIIPTLIA-LPHOPBHVSA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422858446 279384700 /nfs/dbraw/zinc/38/47/00/279384700.db2.gz IRHPKZSIIPTLIA-LPHOPBHVSA-N 2 3 303.494 3.134 20 0 DGADHP C[N@@H+]1CCC[C@H]1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162623855 432829545 /nfs/dbraw/zinc/82/95/45/432829545.db2.gz VWFRVWQKSWVTTB-IBGZPJMESA-N 2 3 307.526 3.059 20 0 DGADHP C[N@H+]1CCC[C@H]1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162623855 432829548 /nfs/dbraw/zinc/82/95/48/432829548.db2.gz VWFRVWQKSWVTTB-IBGZPJMESA-N 2 3 307.526 3.059 20 0 DGADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422693278 433935795 /nfs/dbraw/zinc/93/57/95/433935795.db2.gz LTGLZZFKIJCUCS-RBUKOAKNSA-N 2 3 303.494 3.136 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422735565 433961239 /nfs/dbraw/zinc/96/12/39/433961239.db2.gz FGBGDQPHBHUWIJ-IRXDYDNUSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000415006142 433970033 /nfs/dbraw/zinc/97/00/33/433970033.db2.gz KACRVAPOAJOBPG-XFWGSAIBSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)C1 ZINC000415006142 433970044 /nfs/dbraw/zinc/97/00/44/433970044.db2.gz KACRVAPOAJOBPG-XFWGSAIBSA-N 2 3 319.537 3.007 20 0 DGADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422687696 433937352 /nfs/dbraw/zinc/93/73/52/433937352.db2.gz BVWSTGWUNXOTHH-VQIMIIECSA-N 2 3 303.494 3.006 20 0 DGADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422796704 434010428 /nfs/dbraw/zinc/01/04/28/434010428.db2.gz YWXMBURKLWXWNJ-PXNSSMCTSA-N 2 3 315.505 3.150 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422858447 434063097 /nfs/dbraw/zinc/06/30/97/434063097.db2.gz IRHPKZSIIPTLIA-QFBILLFUSA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422858447 434063102 /nfs/dbraw/zinc/06/31/02/434063102.db2.gz IRHPKZSIIPTLIA-QFBILLFUSA-N 2 3 303.494 3.134 20 0 DGADHP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000422907703 434104490 /nfs/dbraw/zinc/10/44/90/434104490.db2.gz CBUMYWCMIXCIFG-RBUKOAKNSA-N 2 3 303.494 3.276 20 0 DGADHP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000422907703 434104501 /nfs/dbraw/zinc/10/45/01/434104501.db2.gz CBUMYWCMIXCIFG-RBUKOAKNSA-N 2 3 303.494 3.276 20 0 DGADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000423208381 434285834 /nfs/dbraw/zinc/28/58/34/434285834.db2.gz HTWBJZGZJPESAF-HDYDNRTBSA-N 2 3 315.505 3.019 20 0 DGADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000423208381 434285843 /nfs/dbraw/zinc/28/58/43/434285843.db2.gz HTWBJZGZJPESAF-HDYDNRTBSA-N 2 3 315.505 3.019 20 0 DGADHP CN(C)C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275734 434755401 /nfs/dbraw/zinc/75/54/01/434755401.db2.gz YPHZFYLRBIZUER-HXUWFJFHSA-N 2 3 315.505 3.056 20 0 DGADHP CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275734 434755406 /nfs/dbraw/zinc/75/54/06/434755406.db2.gz YPHZFYLRBIZUER-HXUWFJFHSA-N 2 3 315.505 3.056 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568901076 435482599 /nfs/dbraw/zinc/48/25/99/435482599.db2.gz LNONUTCCJBHSFJ-UXPWSPDFSA-N 2 3 315.505 3.421 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568901076 435482602 /nfs/dbraw/zinc/48/26/02/435482602.db2.gz LNONUTCCJBHSFJ-UXPWSPDFSA-N 2 3 315.505 3.421 20 0 DGADHP C(CC1CC[NH2+]CC1)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000649412223 435580808 /nfs/dbraw/zinc/58/08/08/435580808.db2.gz XRMRXNMATIWJJL-HXUWFJFHSA-N 2 3 321.553 3.354 20 0 DGADHP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584665342 337380094 /nfs/dbraw/zinc/38/00/94/337380094.db2.gz JAZWGVBEBUOTGG-LHDHZVESSA-N 2 3 315.505 3.003 20 0 DGADHP CC(C)(C)[NH+]1CCC(N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415051901 526286184 /nfs/dbraw/zinc/28/61/84/526286184.db2.gz JVZWJBHZWSPXLH-GOSISDBHSA-N 2 3 303.494 3.319 20 0 DGADHP CC(C)(C)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415051901 526286191 /nfs/dbraw/zinc/28/61/91/526286191.db2.gz JVZWJBHZWSPXLH-GOSISDBHSA-N 2 3 303.494 3.319 20 0 DGADHP CCCN1CCC([NH2+]Cc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000163538122 546083807 /nfs/dbraw/zinc/08/38/07/546083807.db2.gz VQXVQLQZNCWOLY-UHFFFAOYSA-N 2 3 317.521 3.492 20 0 DGADHP NC[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000873242136 623088586 /nfs/dbraw/zinc/08/85/86/623088586.db2.gz MAUSGGVGHDTCKE-UXHICEINSA-N 2 3 315.505 3.006 20 0 DGADHP CC(C)N1CCC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886522664 627156734 /nfs/dbraw/zinc/15/67/34/627156734.db2.gz OKRQCMLGXCAWCT-HDYDNRTBSA-N 2 3 321.553 3.494 20 0 DGADHP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616157 627763652 /nfs/dbraw/zinc/76/36/52/627763652.db2.gz KJZMYKQKRDXLLS-ICSRJNTNSA-N 2 3 317.521 3.424 20 0 DGADHP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616157 627763654 /nfs/dbraw/zinc/76/36/54/627763654.db2.gz KJZMYKQKRDXLLS-ICSRJNTNSA-N 2 3 317.521 3.424 20 0 DGADHP CC[NH+]1CCC(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001461958087 1182884772 /nfs/dbraw/zinc/88/47/72/1182884772.db2.gz PQFNRFMDXAZDHM-HXUWFJFHSA-N 2 3 321.553 3.306 20 0 DGADHP CC[NH+](CC)CCC[C@H](C)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001167833884 1084146669 /nfs/dbraw/zinc/14/66/69/1084146669.db2.gz FJUPEUSNUXGYCZ-SFHVURJKSA-N 2 3 318.509 3.023 20 0 DGADHP [NH3+]CCCCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453422 1099620320 /nfs/dbraw/zinc/62/03/20/1099620320.db2.gz QWMUJPDLQKMRNW-UHFFFAOYSA-N 2 3 309.885 3.023 20 0 DGADHP [NH3+]CCCCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453422 1099620325 /nfs/dbraw/zinc/62/03/25/1099620325.db2.gz QWMUJPDLQKMRNW-UHFFFAOYSA-N 2 3 309.885 3.023 20 0 DGADHP [NH3+]CCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453422 1099620332 /nfs/dbraw/zinc/62/03/32/1099620332.db2.gz QWMUJPDLQKMRNW-UHFFFAOYSA-N 2 3 309.885 3.023 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C[C@@H]2CCCNC2)CC1 ZINC001236756545 1099771041 /nfs/dbraw/zinc/77/10/41/1099771041.db2.gz YGGSWCJCZDMCND-GUDVDZBRSA-N 2 3 307.526 3.138 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@@H]2CCCNC2)CC1 ZINC001236756545 1099771050 /nfs/dbraw/zinc/77/10/50/1099771050.db2.gz YGGSWCJCZDMCND-GUDVDZBRSA-N 2 3 307.526 3.138 20 0 DGADHP C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337882 1104497510 /nfs/dbraw/zinc/49/75/10/1104497510.db2.gz XDGADBPFAMUQTK-PKOBYXMFSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246337882 1104497512 /nfs/dbraw/zinc/49/75/12/1104497512.db2.gz XDGADBPFAMUQTK-PKOBYXMFSA-N 2 3 315.505 3.006 20 0 DGADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CCN1 ZINC001246366228 1104512148 /nfs/dbraw/zinc/51/21/48/1104512148.db2.gz NHLNWBDUGNVNOI-VQIMIIECSA-N 2 3 307.526 3.009 20 0 DGADHP C[NH2+]C1CCC([NH2+]C2(c3ccccc3Cl)CCNCC2)CC1 ZINC001246372783 1104513047 /nfs/dbraw/zinc/51/30/47/1104513047.db2.gz FNWZBPHMSIHHBF-UHFFFAOYSA-N 2 3 321.896 3.039 20 0 DGADHP C[C@@H]1C[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246444644 1104541991 /nfs/dbraw/zinc/54/19/91/1104541991.db2.gz YMHBJALHJKYGSB-UTRMSSBJSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246444644 1104542002 /nfs/dbraw/zinc/54/20/02/1104542002.db2.gz YMHBJALHJKYGSB-UTRMSSBJSA-N 2 3 319.468 3.038 20 0 DGADHP CC1(C)C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246541073 1104585941 /nfs/dbraw/zinc/58/59/41/1104585941.db2.gz LMEKPVSWBGGTNB-RTBURBONSA-N 2 3 315.505 3.243 20 0 DGADHP CC1(C)C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001246541073 1104585952 /nfs/dbraw/zinc/58/59/52/1104585952.db2.gz LMEKPVSWBGGTNB-RTBURBONSA-N 2 3 315.505 3.243 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679323 1104658767 /nfs/dbraw/zinc/65/87/67/1104658767.db2.gz UMBHMKYVEVRMSV-NCXUSEDFSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1 ZINC001246679323 1104658770 /nfs/dbraw/zinc/65/87/70/1104658770.db2.gz UMBHMKYVEVRMSV-NCXUSEDFSA-N 2 3 307.526 3.009 20 0 DGADHP CC[C@@H]1C[C@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)N1 ZINC001246782819 1104672548 /nfs/dbraw/zinc/67/25/48/1104672548.db2.gz UYDZAGXXCSSYQI-BWTSREIZSA-N 2 3 309.542 3.348 20 0 DGADHP CC[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)N1 ZINC001246782819 1104672550 /nfs/dbraw/zinc/67/25/50/1104672550.db2.gz UYDZAGXXCSSYQI-BWTSREIZSA-N 2 3 309.542 3.348 20 0 DGADHP CC[C@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246912627 1104734652 /nfs/dbraw/zinc/73/46/52/1104734652.db2.gz UKPOZBHGEKUAEU-ZUPWUQBJSA-N 2 3 315.505 3.289 20 0 DGADHP CC[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246912627 1104734656 /nfs/dbraw/zinc/73/46/56/1104734656.db2.gz UKPOZBHGEKUAEU-ZUPWUQBJSA-N 2 3 315.505 3.289 20 0 DGADHP CCN(CC)CC[C@@H](C)[NH2+]CC1CC[NH+](CC2CCC2)CC1 ZINC001255953000 1106347891 /nfs/dbraw/zinc/34/78/91/1106347891.db2.gz HMXIYOHJFYOBCL-QGZVFWFLSA-N 2 3 309.542 3.209 20 0 DGADHP CC(C)CN1CCC([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001258003194 1106656153 /nfs/dbraw/zinc/65/61/53/1106656153.db2.gz GIABBSHZHQKJQW-UHFFFAOYSA-N 2 3 317.521 3.001 20 0 DGADHP CCCC[NH+]1CCC(C[NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001258008217 1106657495 /nfs/dbraw/zinc/65/74/95/1106657495.db2.gz LKIFFCKPIDDPLC-UHFFFAOYSA-N 2 3 309.542 3.209 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414838243 296329389 /nfs/dbraw/zinc/32/93/89/296329389.db2.gz LCWWBCUPIQMXQP-LMMKCTJWSA-N 2 3 307.526 3.009 20 0 DGADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000414838243 296329391 /nfs/dbraw/zinc/32/93/91/296329391.db2.gz LCWWBCUPIQMXQP-LMMKCTJWSA-N 2 3 307.526 3.009 20 0 DGADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000262326152 279137542 /nfs/dbraw/zinc/13/75/42/279137542.db2.gz RRVQOGLKSTWPKK-RBUKOAKNSA-N 2 3 303.494 3.136 20 0 DGADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000422704737 433942581 /nfs/dbraw/zinc/94/25/81/433942581.db2.gz AONFPNRDSGVMBC-IAGOWNOFSA-N 2 3 303.494 3.278 20 0 DGADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422795419 434009820 /nfs/dbraw/zinc/00/98/20/434009820.db2.gz VMGHCCZSSMCUNC-APWZRJJASA-N 2 3 303.494 3.006 20 0 DGADHP NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823713 434029632 /nfs/dbraw/zinc/02/96/32/434029632.db2.gz DZQXFSPZGMMHMT-AEFFLSMTSA-N 2 3 321.534 3.067 20 0 DGADHP C[C@H](CCCC[NH3+])[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000422835043 434038511 /nfs/dbraw/zinc/03/85/11/434038511.db2.gz XZYBTUVEVSHGJA-OAHLLOKOSA-N 2 3 309.523 3.067 20 0 DGADHP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422866864 434066693 /nfs/dbraw/zinc/06/66/93/434066693.db2.gz RANQUCHXLUWQTD-RTBURBONSA-N 2 3 303.494 3.276 20 0 DGADHP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422866864 434066699 /nfs/dbraw/zinc/06/66/99/434066699.db2.gz RANQUCHXLUWQTD-RTBURBONSA-N 2 3 303.494 3.276 20 0 DGADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000422876007 434070434 /nfs/dbraw/zinc/07/04/34/434070434.db2.gz FSTUMSYRALMFRA-YSTOQKLRSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000422876007 434070445 /nfs/dbraw/zinc/07/04/45/434070445.db2.gz FSTUMSYRALMFRA-YSTOQKLRSA-N 2 3 321.553 3.399 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CN)C[N@@H+]1Cc1ccccc1 ZINC000423005119 434162039 /nfs/dbraw/zinc/16/20/39/434162039.db2.gz QUNXVRQQXDLUJU-GSEOLPGOSA-N 2 3 315.505 3.004 20 0 DGADHP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CN)C[N@H+]1Cc1ccccc1 ZINC000423005119 434162050 /nfs/dbraw/zinc/16/20/50/434162050.db2.gz QUNXVRQQXDLUJU-GSEOLPGOSA-N 2 3 315.505 3.004 20 0 DGADHP C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000397493828 434438080 /nfs/dbraw/zinc/43/80/80/434438080.db2.gz NVZVEVJMVDZXEZ-FXAWDEMLSA-N 2 3 315.505 3.019 20 0 DGADHP [NH3+][C@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000579731962 435178521 /nfs/dbraw/zinc/17/85/21/435178521.db2.gz QFQIQQQLXZGVHW-RBUKOAKNSA-N 2 3 301.478 3.032 20 0 DGADHP CC1CC[NH+](C[C@@H]2CCCN(CCCC3CC[NH2+]CC3)C2)CC1 ZINC000649411957 435579879 /nfs/dbraw/zinc/57/98/79/435579879.db2.gz ZMIAALZDBIEMAE-HXUWFJFHSA-N 2 3 321.553 3.210 20 0 DGADHP CC1CCN(C[C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)CC1 ZINC000649411957 435579883 /nfs/dbraw/zinc/57/98/83/435579883.db2.gz ZMIAALZDBIEMAE-HXUWFJFHSA-N 2 3 321.553 3.210 20 0 DGADHP CC1CCN(C[C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)CC1 ZINC000649411957 435579887 /nfs/dbraw/zinc/57/98/87/435579887.db2.gz ZMIAALZDBIEMAE-HXUWFJFHSA-N 2 3 321.553 3.210 20 0 DGADHP CC[N@H+](CCCN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000650710210 435997821 /nfs/dbraw/zinc/99/78/21/435997821.db2.gz HWSRAQNJBUMAND-FGTMMUONSA-N 2 3 307.526 3.009 20 0 DGADHP CC[N@@H+](CCCN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000650710210 435997825 /nfs/dbraw/zinc/99/78/25/435997825.db2.gz HWSRAQNJBUMAND-FGTMMUONSA-N 2 3 307.526 3.009 20 0 DGADHP CCN(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000650710210 435997832 /nfs/dbraw/zinc/99/78/32/435997832.db2.gz HWSRAQNJBUMAND-FGTMMUONSA-N 2 3 307.526 3.009 20 0 DGADHP CN1CCC[C@H]1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678073244 548607136 /nfs/dbraw/zinc/60/71/36/548607136.db2.gz OIWYXSSZKGIDHD-IBGZPJMESA-N 2 3 307.526 3.059 20 0 DGADHP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925723787 618558710 /nfs/dbraw/zinc/55/87/10/618558710.db2.gz YLIZHXVVAXBDLU-WOJBJXKFSA-N 2 3 321.553 3.255 20 0 DGADHP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000903892544 619829417 /nfs/dbraw/zinc/82/94/17/619829417.db2.gz UPDZBBREMOPWFC-UMQXSMKFSA-N 2 3 319.537 3.105 20 0 DGADHP C[C@H](CN[C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000925485616 627741072 /nfs/dbraw/zinc/74/10/72/627741072.db2.gz OMAFZQSPEDZIHC-IEBWSBKVSA-N 2 3 303.494 3.178 20 0 DGADHP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)CN1CCCCC1 ZINC000925485616 627741074 /nfs/dbraw/zinc/74/10/74/627741074.db2.gz OMAFZQSPEDZIHC-IEBWSBKVSA-N 2 3 303.494 3.178 20 0 DGADHP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000844222100 630712947 /nfs/dbraw/zinc/71/29/47/630712947.db2.gz UIIGKCJNPKFUAC-OALUTQOASA-N 2 3 309.542 3.482 20 0 DGADHP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000844222100 630712948 /nfs/dbraw/zinc/71/29/48/630712948.db2.gz UIIGKCJNPKFUAC-OALUTQOASA-N 2 3 309.542 3.482 20 0 DGADHP NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846219586 631215338 /nfs/dbraw/zinc/21/53/38/631215338.db2.gz CQUHEINRNNHLMN-UXHICEINSA-N 2 3 317.521 3.178 20 0 DGADHP NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846219586 631215340 /nfs/dbraw/zinc/21/53/40/631215340.db2.gz CQUHEINRNNHLMN-UXHICEINSA-N 2 3 317.521 3.178 20 0 DGADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC001553023327 1188890650 /nfs/dbraw/zinc/89/06/50/1188890650.db2.gz NZYPRKCQSHJDJS-CPLYBDICSA-N 2 3 319.537 3.150 20 0 DGADHP C[NH+](C)C1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001168305968 1087288877 /nfs/dbraw/zinc/28/88/77/1087288877.db2.gz WKMSNPSORKDEPY-UHFFFAOYSA-N 2 3 307.526 3.103 20 0 DGADHP C(CN1CCCC1)[C@@H]1CCCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235680663 1099124109 /nfs/dbraw/zinc/12/41/09/1099124109.db2.gz VTFCXMKLLZJOMK-IBGZPJMESA-N 2 3 319.537 3.107 20 0 DGADHP C(CN1CCCC1)[C@@H]1CCCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235680663 1099124113 /nfs/dbraw/zinc/12/41/13/1099124113.db2.gz VTFCXMKLLZJOMK-IBGZPJMESA-N 2 3 319.537 3.107 20 0 DGADHP c1ccc(C[NH+]2CCC(CCN[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246073424 1104366771 /nfs/dbraw/zinc/36/67/71/1104366771.db2.gz VRLWBUIBIVBFRK-FQEVSTJZSA-N 2 3 315.505 3.020 20 0 DGADHP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CCN1 ZINC001246243281 1104455891 /nfs/dbraw/zinc/45/58/91/1104455891.db2.gz IXJUYNKXMFZTEB-VXNCWWDNSA-N 2 3 309.542 3.431 20 0 DGADHP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH2+]C3CCNCC3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001246308521 1104482443 /nfs/dbraw/zinc/48/24/43/1104482443.db2.gz LBACUYRQVRIDLH-XTMWUNHTSA-N 2 3 321.553 3.286 20 0 DGADHP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[C@@H]3CC[C@H]([NH3+])[C@H](C)C3)C[C@@H]2C)CN1 ZINC001246313452 1104484480 /nfs/dbraw/zinc/48/44/80/1104484480.db2.gz ZLKTXLBONXLIOV-QOHAPJHTSA-N 2 3 321.553 3.285 20 0 DGADHP CCCC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC(C)C)CC2)CCN1 ZINC001246370156 1104512721 /nfs/dbraw/zinc/51/27/21/1104512721.db2.gz XOJKABRVGVYITG-RBUKOAKNSA-N 2 3 309.542 3.255 20 0 DGADHP CCN(CC)CC[C@H](C)[NH2+]CC1(CC2CCC2)CC[NH2+]CC1 ZINC001246425453 1104536331 /nfs/dbraw/zinc/53/63/31/1104536331.db2.gz WESWNDNLAAOTTN-KRWDZBQOSA-N 2 3 309.542 3.256 20 0 DGADHP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2(CC3CCC3)CC[NH2+]CC2)CCN1 ZINC001246424184 1104536644 /nfs/dbraw/zinc/53/66/44/1104536644.db2.gz PPMXBZUCGYPUPS-QZTJIDSGSA-N 2 3 321.553 3.303 20 0 DGADHP C[C@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246444638 1104541865 /nfs/dbraw/zinc/54/18/65/1104541865.db2.gz YMHBJALHJKYGSB-QZHFEQFPSA-N 2 3 319.468 3.038 20 0 DGADHP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246444638 1104541875 /nfs/dbraw/zinc/54/18/75/1104541875.db2.gz YMHBJALHJKYGSB-QZHFEQFPSA-N 2 3 319.468 3.038 20 0 DGADHP Cc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@H](C)C1 ZINC001246442358 1104542032 /nfs/dbraw/zinc/54/20/32/1104542032.db2.gz NMCSNPLCFYCGBG-VBSBHUPXSA-N 2 3 315.505 3.207 20 0 DGADHP Cc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN[C@H](C)C1 ZINC001246442358 1104542042 /nfs/dbraw/zinc/54/20/42/1104542042.db2.gz NMCSNPLCFYCGBG-VBSBHUPXSA-N 2 3 315.505 3.207 20 0 DGADHP C(C1CCC1)C1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCNCC1 ZINC001246446011 1104542498 /nfs/dbraw/zinc/54/24/98/1104542498.db2.gz JNWVVWNIRLILBD-UHFFFAOYSA-N 2 3 319.537 3.201 20 0 DGADHP CCCC[C@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)CCN1 ZINC001246779494 1104669370 /nfs/dbraw/zinc/66/93/70/1104669370.db2.gz IEKVVFBKEPUDDU-OALUTQOASA-N 2 3 309.542 3.349 20 0 DGADHP CCCC[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CCN1 ZINC001246779494 1104669373 /nfs/dbraw/zinc/66/93/73/1104669373.db2.gz IEKVVFBKEPUDDU-OALUTQOASA-N 2 3 309.542 3.349 20 0 DGADHP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2CCNC3(CCCCC3)C2)CC1 ZINC001246779794 1104670758 /nfs/dbraw/zinc/67/07/58/1104670758.db2.gz JDTUBCSWDMQGSF-IBGZPJMESA-N 2 3 321.553 3.494 20 0 DGADHP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCNC3(CCCCC3)C2)CC1 ZINC001246779794 1104670761 /nfs/dbraw/zinc/67/07/61/1104670761.db2.gz JDTUBCSWDMQGSF-IBGZPJMESA-N 2 3 321.553 3.494 20 0 DGADHP CC[C@H]1CC([N@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)N1 ZINC001246782824 1104672585 /nfs/dbraw/zinc/67/25/85/1104672585.db2.gz UYDZAGXXCSSYQI-ROUUACIJSA-N 2 3 309.542 3.348 20 0 DGADHP CC[C@H]1CC([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C[C@H](CC)N1 ZINC001246782824 1104672587 /nfs/dbraw/zinc/67/25/87/1104672587.db2.gz UYDZAGXXCSSYQI-ROUUACIJSA-N 2 3 309.542 3.348 20 0 DGADHP CCCC[C@H]1C[C@H](N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246797590 1104681348 /nfs/dbraw/zinc/68/13/48/1104681348.db2.gz URMMTADPCSQNHK-RBUKOAKNSA-N 2 3 307.526 3.009 20 0 DGADHP CCCC[C@H]1C[C@H]([NH+]2CCC(C3CC[NH2+]CC3)CC2)CCN1 ZINC001246797590 1104681350 /nfs/dbraw/zinc/68/13/50/1104681350.db2.gz URMMTADPCSQNHK-RBUKOAKNSA-N 2 3 307.526 3.009 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCC2)[C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246964020 1104753813 /nfs/dbraw/zinc/75/38/13/1104753813.db2.gz JPONTUFHYRQASC-KZNAEPCWSA-N 2 3 305.510 3.033 20 0 DGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)[C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246964020 1104753817 /nfs/dbraw/zinc/75/38/17/1104753817.db2.gz JPONTUFHYRQASC-KZNAEPCWSA-N 2 3 305.510 3.033 20 0 DGADHP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258908579 1107055297 /nfs/dbraw/zinc/05/52/97/1107055297.db2.gz XSHZNNICTGNYAB-GOSISDBHSA-N 2 3 309.542 3.447 20 0 DGADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)C1 ZINC000415018391 237009928 /nfs/dbraw/zinc/00/99/28/237009928.db2.gz BOKVSMQTLXKZRU-MLYOOKFZSA-N 2 3 321.553 3.384 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422886766 296314251 /nfs/dbraw/zinc/31/42/51/296314251.db2.gz XNPWZEKXYUJFEH-HLIPFELVSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422886766 296314254 /nfs/dbraw/zinc/31/42/54/296314254.db2.gz XNPWZEKXYUJFEH-HLIPFELVSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414899129 287310842 /nfs/dbraw/zinc/31/08/42/287310842.db2.gz GYYJEDOZLSBVHK-SJLPKXTDSA-N 2 3 307.526 3.009 20 0 DGADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000262326154 432481203 /nfs/dbraw/zinc/48/12/03/432481203.db2.gz RRVQOGLKSTWPKK-RTBURBONSA-N 2 3 303.494 3.136 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414975987 433950689 /nfs/dbraw/zinc/95/06/89/433950689.db2.gz PHYAJZMQPAYZBC-LMMKCTJWSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000414975987 433950694 /nfs/dbraw/zinc/95/06/94/433950694.db2.gz PHYAJZMQPAYZBC-LMMKCTJWSA-N 2 3 307.526 3.151 20 0 DGADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415012418 433971597 /nfs/dbraw/zinc/97/15/97/433971597.db2.gz SPHPDIBZAYGKBK-KCUHQSDYSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415012418 433971607 /nfs/dbraw/zinc/97/16/07/433971607.db2.gz SPHPDIBZAYGKBK-KCUHQSDYSA-N 2 3 319.537 3.007 20 0 DGADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422802917 434016932 /nfs/dbraw/zinc/01/69/32/434016932.db2.gz HXFPRGCNNRLPPG-IRXDYDNUSA-N 2 3 303.494 3.134 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422867861 434064275 /nfs/dbraw/zinc/06/42/75/434064275.db2.gz TYXPLAWRHJIFEB-UXPWSPDFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422867861 434064283 /nfs/dbraw/zinc/06/42/83/434064283.db2.gz TYXPLAWRHJIFEB-UXPWSPDFSA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422875666 434070646 /nfs/dbraw/zinc/07/06/46/434070646.db2.gz FOEZCQAJMGAKDT-FUHIMQAGSA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422875666 434070649 /nfs/dbraw/zinc/07/06/49/434070649.db2.gz FOEZCQAJMGAKDT-FUHIMQAGSA-N 2 3 315.505 3.136 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000422875388 434073142 /nfs/dbraw/zinc/07/31/42/434073142.db2.gz FCJDSCIKQWLSBC-JKSUJKDBSA-N 2 3 318.509 3.011 20 0 DGADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422875388 434073151 /nfs/dbraw/zinc/07/31/51/434073151.db2.gz FCJDSCIKQWLSBC-JKSUJKDBSA-N 2 3 318.509 3.011 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422852158 434050907 /nfs/dbraw/zinc/05/09/07/434050907.db2.gz ADVIVDBZMJHSGB-LZQZEXGQSA-N 2 3 301.478 3.030 20 0 DGADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422852158 434050916 /nfs/dbraw/zinc/05/09/16/434050916.db2.gz ADVIVDBZMJHSGB-LZQZEXGQSA-N 2 3 301.478 3.030 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000422855441 434055768 /nfs/dbraw/zinc/05/57/68/434055768.db2.gz DXKIEGQOXNFICR-NSISKUIASA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000422855441 434055777 /nfs/dbraw/zinc/05/57/77/434055777.db2.gz DXKIEGQOXNFICR-NSISKUIASA-N 2 3 315.505 3.136 20 0 DGADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000378541135 434218713 /nfs/dbraw/zinc/21/87/13/434218713.db2.gz DVDJQTGGQKJMQS-MJGOQNOKSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000459782663 434718755 /nfs/dbraw/zinc/71/87/55/434718755.db2.gz MTPVPVSFOYWWHP-WSTZPKSXSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000459782663 434718763 /nfs/dbraw/zinc/71/87/63/434718763.db2.gz MTPVPVSFOYWWHP-WSTZPKSXSA-N 2 3 321.553 3.351 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000569622620 435549342 /nfs/dbraw/zinc/54/93/42/435549342.db2.gz GUSDKWFAGHTGCN-NSISKUIASA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000569622620 435549345 /nfs/dbraw/zinc/54/93/45/435549345.db2.gz GUSDKWFAGHTGCN-NSISKUIASA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516981868 435568281 /nfs/dbraw/zinc/56/82/81/435568281.db2.gz YMHVVUVXXACNRS-NSISKUIASA-N 2 3 315.505 3.278 20 0 DGADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000516981868 435568282 /nfs/dbraw/zinc/56/82/82/435568282.db2.gz YMHVVUVXXACNRS-NSISKUIASA-N 2 3 315.505 3.278 20 0 DGADHP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520406826 435741588 /nfs/dbraw/zinc/74/15/88/435741588.db2.gz QUWVRYXNHHYXRV-UWJYYQICSA-N 2 3 323.484 3.288 20 0 DGADHP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520406826 435741596 /nfs/dbraw/zinc/74/15/96/435741596.db2.gz QUWVRYXNHHYXRV-UWJYYQICSA-N 2 3 323.484 3.288 20 0 DGADHP [NH3+][C@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000582496957 324237321 /nfs/dbraw/zinc/23/73/21/324237321.db2.gz LNGHGSSSSZPZQX-PMACEKPBSA-N 2 3 315.505 3.422 20 0 DGADHP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584665340 337380112 /nfs/dbraw/zinc/38/01/12/337380112.db2.gz JAZWGVBEBUOTGG-HHUCQEJWSA-N 2 3 315.505 3.003 20 0 DGADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422687693 528195227 /nfs/dbraw/zinc/19/52/27/528195227.db2.gz BVWSTGWUNXOTHH-APWZRJJASA-N 2 3 303.494 3.006 20 0 DGADHP C(CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC[NH+]1CCCC1 ZINC000925677171 618526786 /nfs/dbraw/zinc/52/67/86/618526786.db2.gz OOTUQMLBCZHFNQ-RTBURBONSA-N 2 3 307.526 3.010 20 0 DGADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889349 619826349 /nfs/dbraw/zinc/82/63/49/619826349.db2.gz RGDKOPHMXAHLBQ-MJIXASBWSA-N 2 3 319.537 3.103 20 0 DGADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889349 619826352 /nfs/dbraw/zinc/82/63/52/619826352.db2.gz RGDKOPHMXAHLBQ-MJIXASBWSA-N 2 3 319.537 3.103 20 0 DGADHP C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000873219781 623078060 /nfs/dbraw/zinc/07/80/60/623078060.db2.gz FVETVYNTFRVYAD-TXPKVOOTSA-N 2 3 307.526 3.007 20 0 DGADHP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616161 627763592 /nfs/dbraw/zinc/76/35/92/627763592.db2.gz KJZMYKQKRDXLLS-UYAOXDASSA-N 2 3 317.521 3.424 20 0 DGADHP CC(C)C[N@H+]1CCC[C@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925616161 627763596 /nfs/dbraw/zinc/76/35/96/627763596.db2.gz KJZMYKQKRDXLLS-UYAOXDASSA-N 2 3 317.521 3.424 20 0 DGADHP CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC001553023331 1188890039 /nfs/dbraw/zinc/89/00/39/1188890039.db2.gz NZYPRKCQSHJDJS-JIARVOFWSA-N 2 3 319.537 3.150 20 0 DGADHP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001576117475 1191531940 /nfs/dbraw/zinc/53/19/40/1191531940.db2.gz PTKQRDFEUSXWTA-YLJYHZDGSA-N 2 3 315.505 3.232 20 0 DGADHP