smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(=O)C1=O ZINC000050798260 1073656775 /nfs/dbraw/zinc/65/67/75/1073656775.db2.gz XINBCALUSCOMOS-UHFFFAOYSA-N 1 3 379.505 -0.648 20 0 GBADHO CN(CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051463939 1071112764 /nfs/dbraw/zinc/11/27/64/1071112764.db2.gz CFOCXDKGJYWWNR-QGZVFWFLSA-N 1 3 386.562 -0.220 20 0 GBADHO CN(CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051463941 1071112587 /nfs/dbraw/zinc/11/25/87/1071112587.db2.gz CFOCXDKGJYWWNR-KRWDZBQOSA-N 1 3 386.562 -0.220 20 0 GBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000051759174 1073593449 /nfs/dbraw/zinc/59/34/49/1073593449.db2.gz JAKTVOQKOQWRDY-UHFFFAOYSA-N 1 3 387.550 -0.168 20 0 GBADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)CN(C)C)CC2)C1 ZINC000051761889 1073842617 /nfs/dbraw/zinc/84/26/17/1073842617.db2.gz SZSDFGAGNIKRFR-QGZVFWFLSA-N 1 3 383.537 -0.835 20 0 GBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)CN(C)C)CC2)C1 ZINC000051761889 1073842613 /nfs/dbraw/zinc/84/26/13/1073842613.db2.gz SZSDFGAGNIKRFR-QGZVFWFLSA-N 1 3 383.537 -0.835 20 0 GBADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)CN(C)C)CC2)C1 ZINC000051761891 1073842468 /nfs/dbraw/zinc/84/24/68/1073842468.db2.gz SZSDFGAGNIKRFR-KRWDZBQOSA-N 1 3 383.537 -0.835 20 0 GBADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)CN(C)C)CC2)C1 ZINC000051761891 1073842460 /nfs/dbraw/zinc/84/24/60/1073842460.db2.gz SZSDFGAGNIKRFR-KRWDZBQOSA-N 1 3 383.537 -0.835 20 0 GBADHO CN(C)CC[NH+]1CCC(NC(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000109393391 1072233736 /nfs/dbraw/zinc/23/37/36/1072233736.db2.gz CYBGWSMUSXZSRA-UHFFFAOYSA-N 1 3 382.553 -0.136 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000167404062 1073376109 /nfs/dbraw/zinc/37/61/09/1073376109.db2.gz UYWXJWQNCKFCMM-UHFFFAOYSA-N 1 3 377.493 -0.171 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000179284846 1073864872 /nfs/dbraw/zinc/86/48/72/1073864872.db2.gz NWHFCSWGTRXALS-GOSISDBHSA-N 1 3 394.564 -0.040 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000179284854 1073864741 /nfs/dbraw/zinc/86/47/41/1073864741.db2.gz NWHFCSWGTRXALS-SFHVURJKSA-N 1 3 394.564 -0.040 20 0 GBADHO OC(CN1CC[C@H](CN2CCOCC2)C1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000181800950 1073870583 /nfs/dbraw/zinc/87/05/83/1073870583.db2.gz SJQANCWCNIKPJB-WOJBJXKFSA-N 1 3 396.576 -0.345 20 0 GBADHO OC(CN1CC[C@H](CN2CCOCC2)C1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000181800950 1073870574 /nfs/dbraw/zinc/87/05/74/1073870574.db2.gz SJQANCWCNIKPJB-WOJBJXKFSA-N 1 3 396.576 -0.345 20 0 GBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275984669 1072498180 /nfs/dbraw/zinc/49/81/80/1072498180.db2.gz IXUSLOHYLUVFKR-AWEZNQCLSA-N 1 3 390.488 -0.007 20 0 GBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275984669 1072498174 /nfs/dbraw/zinc/49/81/74/1072498174.db2.gz IXUSLOHYLUVFKR-AWEZNQCLSA-N 1 3 390.488 -0.007 20 0 GBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275984672 1072498340 /nfs/dbraw/zinc/49/83/40/1072498340.db2.gz IXUSLOHYLUVFKR-CQSZACIVSA-N 1 3 390.488 -0.007 20 0 GBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275984672 1072498337 /nfs/dbraw/zinc/49/83/37/1072498337.db2.gz IXUSLOHYLUVFKR-CQSZACIVSA-N 1 3 390.488 -0.007 20 0 GBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276109193 1072561147 /nfs/dbraw/zinc/56/11/47/1072561147.db2.gz XJRXJPJUDXPYST-HNNXBMFYSA-N 1 3 393.492 -0.819 20 0 GBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276109193 1072561138 /nfs/dbraw/zinc/56/11/38/1072561138.db2.gz XJRXJPJUDXPYST-HNNXBMFYSA-N 1 3 393.492 -0.819 20 0 GBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276109195 1072561671 /nfs/dbraw/zinc/56/16/71/1072561671.db2.gz XJRXJPJUDXPYST-OAHLLOKOSA-N 1 3 393.492 -0.819 20 0 GBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276109195 1072561666 /nfs/dbraw/zinc/56/16/66/1072561666.db2.gz XJRXJPJUDXPYST-OAHLLOKOSA-N 1 3 393.492 -0.819 20 0 GBADHO CN(CCCN(C)CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH+](C)C ZINC000289353507 1072803028 /nfs/dbraw/zinc/80/30/28/1072803028.db2.gz GMUKYHXJNYXFKN-UHFFFAOYSA-N 1 3 393.532 -0.018 20 0 GBADHO CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)[C@@H](C)C2)N(C)C1 ZINC000328950930 1072218103 /nfs/dbraw/zinc/21/81/03/1072218103.db2.gz HPGHBBBPPJRAKS-WOYTXXSLSA-N 1 3 382.505 -0.516 20 0 GBADHO CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)[C@@H](C)C2)N(C)C1 ZINC000328950930 1072218100 /nfs/dbraw/zinc/21/81/00/1072218100.db2.gz HPGHBBBPPJRAKS-WOYTXXSLSA-N 1 3 382.505 -0.516 20 0 GBADHO CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)[C@H](C)C2)N(C)C1 ZINC000329009407 1072255878 /nfs/dbraw/zinc/25/58/78/1072255878.db2.gz HPGHBBBPPJRAKS-XAJHFOFHSA-N 1 3 382.505 -0.516 20 0 GBADHO CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)[C@H](C)C2)N(C)C1 ZINC000329009407 1072255869 /nfs/dbraw/zinc/25/58/69/1072255869.db2.gz HPGHBBBPPJRAKS-XAJHFOFHSA-N 1 3 382.505 -0.516 20 0 GBADHO CO[C@H]1C[C@@H](C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)[N@@H+](C)C1 ZINC000329111744 1072403009 /nfs/dbraw/zinc/40/30/09/1072403009.db2.gz GWOUGDGNGXTTPM-ROUUACIJSA-N 1 3 395.548 -0.598 20 0 GBADHO CO[C@H]1C[C@@H](C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)[N@H+](C)C1 ZINC000329111744 1072403008 /nfs/dbraw/zinc/40/30/08/1072403008.db2.gz GWOUGDGNGXTTPM-ROUUACIJSA-N 1 3 395.548 -0.598 20 0 GBADHO CNS(=O)(=O)[C@H]1CCN(CCCCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000362786750 530304299 /nfs/dbraw/zinc/30/42/99/530304299.db2.gz CFSNXWVVRCYRRI-GJZGRUSLSA-N 1 3 396.579 -0.596 20 0 GBADHO CNS(=O)(=O)[C@H]1CCN(CCCCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000362786750 530304298 /nfs/dbraw/zinc/30/42/98/530304298.db2.gz CFSNXWVVRCYRRI-GJZGRUSLSA-N 1 3 396.579 -0.596 20 0 GBADHO CNS(=O)(=O)[C@@H]1CCN(CCCCC[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000362786751 530304116 /nfs/dbraw/zinc/30/41/16/530304116.db2.gz CFSNXWVVRCYRRI-HUUCEWRRSA-N 1 3 396.579 -0.596 20 0 GBADHO CNS(=O)(=O)[C@@H]1CCN(CCCCC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000362786751 530304114 /nfs/dbraw/zinc/30/41/14/530304114.db2.gz CFSNXWVVRCYRRI-HUUCEWRRSA-N 1 3 396.579 -0.596 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000363390336 1072498162 /nfs/dbraw/zinc/49/81/62/1072498162.db2.gz SLBNVYJKCIWZRD-SJORKVTESA-N 1 3 379.505 -0.201 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000363390336 1072498158 /nfs/dbraw/zinc/49/81/58/1072498158.db2.gz SLBNVYJKCIWZRD-SJORKVTESA-N 1 3 379.505 -0.201 20 0 GBADHO NS(=O)(=O)[C@@H]1CCC[N@H+](CCCCCN2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923266 530153427 /nfs/dbraw/zinc/15/34/27/530153427.db2.gz KXNYTHHAACKVOP-GASCZTMLSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCCCCN2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923266 530153423 /nfs/dbraw/zinc/15/34/23/530153423.db2.gz KXNYTHHAACKVOP-GASCZTMLSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)[C@@H]1CCCN(CCCCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923266 530153422 /nfs/dbraw/zinc/15/34/22/530153422.db2.gz KXNYTHHAACKVOP-GASCZTMLSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)[C@@H]1CCCN(CCCCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923266 530153419 /nfs/dbraw/zinc/15/34/19/530153419.db2.gz KXNYTHHAACKVOP-GASCZTMLSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)[C@H]1CCCN(CCCCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923267 530153444 /nfs/dbraw/zinc/15/34/44/530153444.db2.gz KXNYTHHAACKVOP-GJZGRUSLSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)[C@H]1CCCN(CCCCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923267 530153440 /nfs/dbraw/zinc/15/34/40/530153440.db2.gz KXNYTHHAACKVOP-GJZGRUSLSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)[C@@H]1CCCN(CCCCC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000364923268 530153642 /nfs/dbraw/zinc/15/36/42/530153642.db2.gz KXNYTHHAACKVOP-HUUCEWRRSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)[C@@H]1CCCN(CCCCC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000364923268 530153639 /nfs/dbraw/zinc/15/36/39/530153639.db2.gz KXNYTHHAACKVOP-HUUCEWRRSA-N 1 3 396.579 -0.338 20 0 GBADHO CNS(=O)(=O)[C@H]1CCN(CCCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151792 530314573 /nfs/dbraw/zinc/31/45/73/530314573.db2.gz ZKYIXDJZVQXAJH-KBPBESRZSA-N 1 3 382.552 -0.986 20 0 GBADHO CNS(=O)(=O)[C@H]1CCN(CCCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151792 530314571 /nfs/dbraw/zinc/31/45/71/530314571.db2.gz ZKYIXDJZVQXAJH-KBPBESRZSA-N 1 3 382.552 -0.986 20 0 GBADHO CNS(=O)(=O)[C@@H]1CC[N@H+](CCCCN2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151793 530314680 /nfs/dbraw/zinc/31/46/80/530314680.db2.gz ZKYIXDJZVQXAJH-OKILXGFUSA-N 1 3 382.552 -0.986 20 0 GBADHO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCCN2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151793 530314677 /nfs/dbraw/zinc/31/46/77/530314677.db2.gz ZKYIXDJZVQXAJH-OKILXGFUSA-N 1 3 382.552 -0.986 20 0 GBADHO CNS(=O)(=O)[C@@H]1CCN(CCCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151793 530314676 /nfs/dbraw/zinc/31/46/76/530314676.db2.gz ZKYIXDJZVQXAJH-OKILXGFUSA-N 1 3 382.552 -0.986 20 0 GBADHO CNS(=O)(=O)[C@@H]1CCN(CCCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151793 530314673 /nfs/dbraw/zinc/31/46/73/530314673.db2.gz ZKYIXDJZVQXAJH-OKILXGFUSA-N 1 3 382.552 -0.986 20 0 GBADHO CNS(=O)(=O)[C@@H]1CCN(CCCC[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372151794 530314616 /nfs/dbraw/zinc/31/46/16/530314616.db2.gz ZKYIXDJZVQXAJH-ZIAGYGMSSA-N 1 3 382.552 -0.986 20 0 GBADHO CNS(=O)(=O)[C@@H]1CCN(CCCC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372151794 530314615 /nfs/dbraw/zinc/31/46/15/530314615.db2.gz ZKYIXDJZVQXAJH-ZIAGYGMSSA-N 1 3 382.552 -0.986 20 0 GBADHO CC[NH+]1CCN([C@H]2CCN(c3nc(NCCO)nc(NC(C)C)n3)C2)CC1 ZINC000376221103 1072922499 /nfs/dbraw/zinc/92/24/99/1072922499.db2.gz SWUXXRJAWJGJJZ-HNNXBMFYSA-N 1 3 378.525 -0.844 20 0 GBADHO CC[NH+]1CCN([C@@H]2CCN(c3nc(NCCO)nc(NC(C)C)n3)C2)CC1 ZINC000376221104 1072922226 /nfs/dbraw/zinc/92/22/26/1072922226.db2.gz SWUXXRJAWJGJJZ-OAHLLOKOSA-N 1 3 378.525 -0.844 20 0 GBADHO C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1(C)C ZINC000376599736 1073052989 /nfs/dbraw/zinc/05/29/89/1073052989.db2.gz LDUZWASBWXLFJV-GOSISDBHSA-N 1 3 396.580 -0.282 20 0 GBADHO C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1(C)C ZINC000376599736 1073052981 /nfs/dbraw/zinc/05/29/81/1073052981.db2.gz LDUZWASBWXLFJV-GOSISDBHSA-N 1 3 396.580 -0.282 20 0 GBADHO C[N@H+]1CCN(CCNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1(C)C ZINC000376599737 1073053136 /nfs/dbraw/zinc/05/31/36/1073053136.db2.gz LDUZWASBWXLFJV-SFHVURJKSA-N 1 3 396.580 -0.282 20 0 GBADHO C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1(C)C ZINC000376599737 1073053134 /nfs/dbraw/zinc/05/31/34/1073053134.db2.gz LDUZWASBWXLFJV-SFHVURJKSA-N 1 3 396.580 -0.282 20 0 GBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000377645719 1073203413 /nfs/dbraw/zinc/20/34/13/1073203413.db2.gz JQBMIBDJVYJFKJ-GDBMZVCRSA-N 1 3 379.505 -0.663 20 0 GBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000377645727 1073203568 /nfs/dbraw/zinc/20/35/68/1073203568.db2.gz JQBMIBDJVYJFKJ-GOEBONIOSA-N 1 3 379.505 -0.663 20 0 GBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000377645731 1073203522 /nfs/dbraw/zinc/20/35/22/1073203522.db2.gz JQBMIBDJVYJFKJ-HOCLYGCPSA-N 1 3 379.505 -0.663 20 0 GBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000377645735 1073203791 /nfs/dbraw/zinc/20/37/91/1073203791.db2.gz JQBMIBDJVYJFKJ-ZBFHGGJFSA-N 1 3 379.505 -0.663 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000410729201 1073830172 /nfs/dbraw/zinc/83/01/72/1073830172.db2.gz HNWSMFRSMDUJMM-SJORKVTESA-N 1 3 393.532 -0.306 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000410729201 1073830168 /nfs/dbraw/zinc/83/01/68/1073830168.db2.gz HNWSMFRSMDUJMM-SJORKVTESA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000410729850 1073831478 /nfs/dbraw/zinc/83/14/78/1073831478.db2.gz KQHRVMWRUKCLAL-SOLBZPMBSA-N 1 3 377.533 -0.224 20 0 GBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410805398 1073837880 /nfs/dbraw/zinc/83/78/80/1073837880.db2.gz ANTMCUAQMOUKIO-MRXNPFEDSA-N 1 3 381.521 -0.448 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCN1CC(C)(C)O ZINC000410845740 1073844045 /nfs/dbraw/zinc/84/40/45/1073844045.db2.gz GGHIRNQHXVWRNF-QGZVFWFLSA-N 1 3 399.580 -0.368 20 0 GBADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410880471 1073847586 /nfs/dbraw/zinc/84/75/86/1073847586.db2.gz WWYVTUBQMRLKAH-MRXNPFEDSA-N 1 3 379.505 -0.696 20 0 GBADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410880471 1073847575 /nfs/dbraw/zinc/84/75/75/1073847575.db2.gz WWYVTUBQMRLKAH-MRXNPFEDSA-N 1 3 379.505 -0.696 20 0 GBADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410886959 1073849068 /nfs/dbraw/zinc/84/90/68/1073849068.db2.gz PFHGUUWIJDYLLK-INIZCTEOSA-N 1 3 381.521 -0.450 20 0 GBADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410886963 1073849110 /nfs/dbraw/zinc/84/91/10/1073849110.db2.gz PFHGUUWIJDYLLK-MRXNPFEDSA-N 1 3 381.521 -0.450 20 0 GBADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410887526 1073849226 /nfs/dbraw/zinc/84/92/26/1073849226.db2.gz REEBBVIADZTZDO-UHFFFAOYSA-N 1 3 381.521 -0.448 20 0 GBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410913815 1073851459 /nfs/dbraw/zinc/85/14/59/1073851459.db2.gz YHFCNOZSFODGOQ-QGZVFWFLSA-N 1 3 395.548 -0.058 20 0 GBADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000411032783 1073863403 /nfs/dbraw/zinc/86/34/03/1073863403.db2.gz VBMQYEAWPNNUJL-QGZVFWFLSA-N 1 3 393.532 -0.306 20 0 GBADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000411032783 1073863392 /nfs/dbraw/zinc/86/33/92/1073863392.db2.gz VBMQYEAWPNNUJL-QGZVFWFLSA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@@H](O)C(=O)N1CC[NH+](CC[C@@H](C)CCN2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC000411414328 1073878633 /nfs/dbraw/zinc/87/86/33/1073878633.db2.gz ADRHWLLWIRCSSN-NNZMDNLPSA-N 1 3 398.548 -0.547 20 0 GBADHO C[C@H](CCN1CCN(C(=O)[C@@H](C)O)CC1)CC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000411414328 1073878618 /nfs/dbraw/zinc/87/86/18/1073878618.db2.gz ADRHWLLWIRCSSN-NNZMDNLPSA-N 1 3 398.548 -0.547 20 0 GBADHO C[NH+]1CCC(CNC(=O)NC[C@H]2CCCCN2CCO)(N2CCOCC2)CC1 ZINC000413607893 1072789571 /nfs/dbraw/zinc/78/95/71/1072789571.db2.gz AKQLHOBIVOFHHI-GOSISDBHSA-N 1 3 397.564 -0.071 20 0 GBADHO C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCCN2CCO)(N2CCOCC2)CC1 ZINC000413607899 1072789276 /nfs/dbraw/zinc/78/92/76/1072789276.db2.gz AKQLHOBIVOFHHI-SFHVURJKSA-N 1 3 397.564 -0.071 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414808070 1072609413 /nfs/dbraw/zinc/60/94/13/1072609413.db2.gz SHAOGPBFCXGDLX-UHFFFAOYSA-N 1 3 385.468 -0.005 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414977235 1072926976 /nfs/dbraw/zinc/92/69/76/1072926976.db2.gz PQYHUNPCOYAWCV-KRWDZBQOSA-N 1 3 385.468 -0.007 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414977236 1072927446 /nfs/dbraw/zinc/92/74/46/1072927446.db2.gz PQYHUNPCOYAWCV-QGZVFWFLSA-N 1 3 385.468 -0.007 20 0 GBADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000415025858 1073011133 /nfs/dbraw/zinc/01/11/33/1073011133.db2.gz RWGIXYRXRFJVIE-UHFFFAOYSA-N 1 3 377.489 -0.071 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCCN3CC[NH2+]CC3)c2)CC1 ZINC000415329160 1073187289 /nfs/dbraw/zinc/18/72/89/1073187289.db2.gz NDWLDOOZOPAIGD-UHFFFAOYSA-N 1 3 388.516 -0.212 20 0 GBADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000415592220 1073208340 /nfs/dbraw/zinc/20/83/40/1073208340.db2.gz BNNPENLNMGHEAC-GOSISDBHSA-N 1 3 389.500 -0.051 20 0 GBADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000415592222 1073208320 /nfs/dbraw/zinc/20/83/20/1073208320.db2.gz BNNPENLNMGHEAC-SFHVURJKSA-N 1 3 389.500 -0.051 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000415606131 1073211527 /nfs/dbraw/zinc/21/15/27/1073211527.db2.gz PMULHKZAXOVUAD-KRWDZBQOSA-N 1 3 375.473 -0.047 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000415606134 1073211439 /nfs/dbraw/zinc/21/14/39/1073211439.db2.gz PMULHKZAXOVUAD-QGZVFWFLSA-N 1 3 375.473 -0.047 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCOC4(C[NH2+]C4)C3)c2)CC1 ZINC000415896873 1073231537 /nfs/dbraw/zinc/23/15/37/1073231537.db2.gz RHVOFATYRARNSW-UHFFFAOYSA-N 1 3 387.484 -0.032 20 0 GBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCCCN1CCO ZINC000418616678 1073701960 /nfs/dbraw/zinc/70/19/60/1073701960.db2.gz MUFKVRDLGOMEPA-KBPBESRZSA-N 1 3 381.443 -0.032 20 0 GBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCCCN1CCO ZINC000418616682 1073701825 /nfs/dbraw/zinc/70/18/25/1073701825.db2.gz MUFKVRDLGOMEPA-KGLIPLIRSA-N 1 3 381.443 -0.032 20 0 GBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCCCN1CCO ZINC000418616684 1073702320 /nfs/dbraw/zinc/70/23/20/1073702320.db2.gz MUFKVRDLGOMEPA-UONOGXRCSA-N 1 3 381.443 -0.032 20 0 GBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCCCN1CCO ZINC000418616686 1073701750 /nfs/dbraw/zinc/70/17/50/1073701750.db2.gz MUFKVRDLGOMEPA-ZIAGYGMSSA-N 1 3 381.443 -0.032 20 0 GBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCCN(CCCO)C1 ZINC000418624803 1073702798 /nfs/dbraw/zinc/70/27/98/1073702798.db2.gz ZRFMHMIXQQBERT-KBPBESRZSA-N 1 3 381.443 -0.032 20 0 GBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCCN(CCCO)C1 ZINC000418624804 1073703372 /nfs/dbraw/zinc/70/33/72/1073703372.db2.gz ZRFMHMIXQQBERT-KGLIPLIRSA-N 1 3 381.443 -0.032 20 0 GBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCCN(CCCO)C1 ZINC000418624805 1073703128 /nfs/dbraw/zinc/70/31/28/1073703128.db2.gz ZRFMHMIXQQBERT-UONOGXRCSA-N 1 3 381.443 -0.032 20 0 GBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCCN(CCCO)C1 ZINC000418624806 1073703357 /nfs/dbraw/zinc/70/33/57/1073703357.db2.gz ZRFMHMIXQQBERT-ZIAGYGMSSA-N 1 3 381.443 -0.032 20 0 GBADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CNCCO1 ZINC000418767530 1073714653 /nfs/dbraw/zinc/71/46/53/1073714653.db2.gz NVZJHHCNKWCMEI-IRXDYDNUSA-N 1 3 377.489 -0.437 20 0 GBADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CNCCO1 ZINC000418767531 1073715031 /nfs/dbraw/zinc/71/50/31/1073715031.db2.gz NVZJHHCNKWCMEI-SJORKVTESA-N 1 3 377.489 -0.437 20 0 GBADHO CN1C[C@@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000418793862 1073719101 /nfs/dbraw/zinc/71/91/01/1073719101.db2.gz ATYHSDGXWBTGHX-INIZCTEOSA-N 1 3 387.484 -0.557 20 0 GBADHO CN1C[C@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000418793863 1073718445 /nfs/dbraw/zinc/71/84/45/1073718445.db2.gz ATYHSDGXWBTGHX-MRXNPFEDSA-N 1 3 387.484 -0.557 20 0 GBADHO CC(C)(CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000418846545 1073727265 /nfs/dbraw/zinc/72/72/65/1073727265.db2.gz YJHCIFWZGAIZCH-HNNXBMFYSA-N 1 3 381.521 -0.319 20 0 GBADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000418846546 1073727678 /nfs/dbraw/zinc/72/76/78/1073727678.db2.gz YJHCIFWZGAIZCH-OAHLLOKOSA-N 1 3 381.521 -0.319 20 0 GBADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000418942122 1073741415 /nfs/dbraw/zinc/74/14/15/1073741415.db2.gz AESXFRGFKIHWCM-GOSISDBHSA-N 1 3 390.484 -0.118 20 0 GBADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418942124 1073741156 /nfs/dbraw/zinc/74/11/56/1073741156.db2.gz AESXFRGFKIHWCM-SFHVURJKSA-N 1 3 390.484 -0.118 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418955222 1073742548 /nfs/dbraw/zinc/74/25/48/1073742548.db2.gz PPCGQEOGQMCWSO-DZGCQCFKSA-N 1 3 393.488 -0.133 20 0 GBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418955223 1073742111 /nfs/dbraw/zinc/74/21/11/1073742111.db2.gz PPCGQEOGQMCWSO-HIFRSBDPSA-N 1 3 393.488 -0.133 20 0 GBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418955224 1073742269 /nfs/dbraw/zinc/74/22/69/1073742269.db2.gz PPCGQEOGQMCWSO-UKRRQHHQSA-N 1 3 393.488 -0.133 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418955225 1073741823 /nfs/dbraw/zinc/74/18/23/1073741823.db2.gz PPCGQEOGQMCWSO-ZFWWWQNUSA-N 1 3 393.488 -0.133 20 0 GBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419025162 1073755479 /nfs/dbraw/zinc/75/54/79/1073755479.db2.gz MCRRDXQSVJQZMT-BZUAXINKSA-N 1 3 381.521 -0.464 20 0 GBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419025163 1073755450 /nfs/dbraw/zinc/75/54/50/1073755450.db2.gz MCRRDXQSVJQZMT-OAGGEKHMSA-N 1 3 381.521 -0.464 20 0 GBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419025164 1073754333 /nfs/dbraw/zinc/75/43/33/1073754333.db2.gz MCRRDXQSVJQZMT-OWCLPIDISA-N 1 3 381.521 -0.464 20 0 GBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419025165 1073754895 /nfs/dbraw/zinc/75/48/95/1073754895.db2.gz MCRRDXQSVJQZMT-PMPSAXMXSA-N 1 3 381.521 -0.464 20 0 GBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419028264 1073755407 /nfs/dbraw/zinc/75/54/07/1073755407.db2.gz DOOJHZKEAWOFCU-UHFFFAOYSA-N 1 3 397.589 -0.124 20 0 GBADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419038889 1073758915 /nfs/dbraw/zinc/75/89/15/1073758915.db2.gz UIAHIAOEGIZMPS-HNNXBMFYSA-N 1 3 384.546 -0.041 20 0 GBADHO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419038890 1073758858 /nfs/dbraw/zinc/75/88/58/1073758858.db2.gz UIAHIAOEGIZMPS-OAHLLOKOSA-N 1 3 384.546 -0.041 20 0 GBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419083887 1073777703 /nfs/dbraw/zinc/77/77/03/1073777703.db2.gz XKJHTLINIDUPBX-CVEARBPZSA-N 1 3 381.521 -0.319 20 0 GBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419083888 1073777651 /nfs/dbraw/zinc/77/76/51/1073777651.db2.gz XKJHTLINIDUPBX-HOTGVXAUSA-N 1 3 381.521 -0.319 20 0 GBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419083889 1073777750 /nfs/dbraw/zinc/77/77/50/1073777750.db2.gz XKJHTLINIDUPBX-HZPDHXFCSA-N 1 3 381.521 -0.319 20 0 GBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419083890 1073777281 /nfs/dbraw/zinc/77/72/81/1073777281.db2.gz XKJHTLINIDUPBX-JKSUJKDBSA-N 1 3 381.521 -0.319 20 0 GBADHO CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000419108856 1073781098 /nfs/dbraw/zinc/78/10/98/1073781098.db2.gz GPJLWXGUYNJUGA-CALCHBBNSA-N 1 3 386.500 -0.198 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)N1CCN(C)CC1 ZINC000419127446 1073784708 /nfs/dbraw/zinc/78/47/08/1073784708.db2.gz QIQKSCVXDDPAJP-JYJNAYRXSA-N 1 3 383.537 -0.396 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)N1CCN(C)CC1 ZINC000419127447 1073784299 /nfs/dbraw/zinc/78/42/99/1073784299.db2.gz QIQKSCVXDDPAJP-OAGGEKHMSA-N 1 3 383.537 -0.396 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)N1CCN(C)CC1 ZINC000419127448 1073784606 /nfs/dbraw/zinc/78/46/06/1073784606.db2.gz QIQKSCVXDDPAJP-PMPSAXMXSA-N 1 3 383.537 -0.396 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)N1CCN(C)CC1 ZINC000419127449 1073784357 /nfs/dbraw/zinc/78/43/57/1073784357.db2.gz QIQKSCVXDDPAJP-XHSDSOJGSA-N 1 3 383.537 -0.396 20 0 GBADHO CN1CCN(c2ncccc2CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000419141153 1073792001 /nfs/dbraw/zinc/79/20/01/1073792001.db2.gz ASRDRHUHJDUUAV-CALCHBBNSA-N 1 3 386.500 -0.198 20 0 GBADHO C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCN1 ZINC000419166428 1073797338 /nfs/dbraw/zinc/79/73/38/1073797338.db2.gz OPNCWHQNENYNQT-AWEZNQCLSA-N 1 3 381.521 -0.450 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCN1 ZINC000419166429 1073797561 /nfs/dbraw/zinc/79/75/61/1073797561.db2.gz OPNCWHQNENYNQT-CQSZACIVSA-N 1 3 381.521 -0.450 20 0 GBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000419166470 1073797515 /nfs/dbraw/zinc/79/75/15/1073797515.db2.gz OUTCKRUHTICQIO-MSOLQXFVSA-N 1 3 390.484 -0.420 20 0 GBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000419166471 1073798266 /nfs/dbraw/zinc/79/82/66/1073798266.db2.gz OUTCKRUHTICQIO-QZTJIDSGSA-N 1 3 390.484 -0.420 20 0 GBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000419166472 1073798248 /nfs/dbraw/zinc/79/82/48/1073798248.db2.gz OUTCKRUHTICQIO-ROUUACIJSA-N 1 3 390.484 -0.420 20 0 GBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000419166473 1073798396 /nfs/dbraw/zinc/79/83/96/1073798396.db2.gz OUTCKRUHTICQIO-ZWKOTPCHSA-N 1 3 390.484 -0.420 20 0 GBADHO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168444 1073803798 /nfs/dbraw/zinc/80/37/98/1073803798.db2.gz SGQKFIIIXCITSB-KRWDZBQOSA-N 1 3 378.473 -0.827 20 0 GBADHO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168445 1073803671 /nfs/dbraw/zinc/80/36/71/1073803671.db2.gz SGQKFIIIXCITSB-QGZVFWFLSA-N 1 3 378.473 -0.827 20 0 GBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCC(C)CC1 ZINC000419169596 1073803635 /nfs/dbraw/zinc/80/36/35/1073803635.db2.gz MLBZOHVYQFDGFA-CVEARBPZSA-N 1 3 381.521 -0.464 20 0 GBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCC(C)CC1 ZINC000419169597 1073803482 /nfs/dbraw/zinc/80/34/82/1073803482.db2.gz MLBZOHVYQFDGFA-HOTGVXAUSA-N 1 3 381.521 -0.464 20 0 GBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCC(C)CC1 ZINC000419169598 1073803508 /nfs/dbraw/zinc/80/35/08/1073803508.db2.gz MLBZOHVYQFDGFA-HZPDHXFCSA-N 1 3 381.521 -0.464 20 0 GBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCC(C)CC1 ZINC000419169599 1073804320 /nfs/dbraw/zinc/80/43/20/1073804320.db2.gz MLBZOHVYQFDGFA-JKSUJKDBSA-N 1 3 381.521 -0.464 20 0 GBADHO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419170803 1073799071 /nfs/dbraw/zinc/79/90/71/1073799071.db2.gz WQHSLZHQFXGHDL-MSOLQXFVSA-N 1 3 390.484 -0.502 20 0 GBADHO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419170804 1073799258 /nfs/dbraw/zinc/79/92/58/1073799258.db2.gz WQHSLZHQFXGHDL-QZTJIDSGSA-N 1 3 390.484 -0.502 20 0 GBADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419170805 1073799509 /nfs/dbraw/zinc/79/95/09/1073799509.db2.gz WQHSLZHQFXGHDL-ROUUACIJSA-N 1 3 390.484 -0.502 20 0 GBADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419170806 1073800485 /nfs/dbraw/zinc/80/04/85/1073800485.db2.gz WQHSLZHQFXGHDL-ZWKOTPCHSA-N 1 3 390.484 -0.502 20 0 GBADHO CCN(C)C(=O)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419203954 1073812812 /nfs/dbraw/zinc/81/28/12/1073812812.db2.gz ONRCQYYOBPXZJT-UHFFFAOYSA-N 1 3 389.500 -0.309 20 0 GBADHO CN1CCN(c2cc(CNC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccn2)CC1 ZINC000419207728 1073826681 /nfs/dbraw/zinc/82/66/81/1073826681.db2.gz PNLNDNLAMDJBBL-CALCHBBNSA-N 1 3 386.500 -0.198 20 0 GBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000419329990 1073909681 /nfs/dbraw/zinc/90/96/81/1073909681.db2.gz FTCJPBFJPVZFAC-UHFFFAOYSA-N 1 3 391.516 -0.780 20 0 GBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000419340406 1073913773 /nfs/dbraw/zinc/91/37/73/1073913773.db2.gz NCMBNBPTEIQWQK-UHFFFAOYSA-N 1 3 391.516 -0.780 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)N1 ZINC000419348336 1073917355 /nfs/dbraw/zinc/91/73/55/1073917355.db2.gz AZBLAAKUKYUYBM-CALCHBBNSA-N 1 3 388.516 -0.081 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)N1 ZINC000419348337 1073917340 /nfs/dbraw/zinc/91/73/40/1073917340.db2.gz AZBLAAKUKYUYBM-IAGOWNOFSA-N 1 3 388.516 -0.081 20 0 GBADHO C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)N1 ZINC000419348338 1073917144 /nfs/dbraw/zinc/91/71/44/1073917144.db2.gz AZBLAAKUKYUYBM-IRXDYDNUSA-N 1 3 388.516 -0.081 20 0 GBADHO NCC(F)(F)CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419348929 1073917998 /nfs/dbraw/zinc/91/79/98/1073917998.db2.gz CKDSTOJCRXLHQW-UHFFFAOYSA-N 1 3 384.431 -0.580 20 0 GBADHO CC1(C)CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC000419351296 1073918064 /nfs/dbraw/zinc/91/80/64/1073918064.db2.gz HCTWWVCGGUHCII-UHFFFAOYSA-N 1 3 388.516 -0.080 20 0 GBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419359318 1073925510 /nfs/dbraw/zinc/92/55/10/1073925510.db2.gz QIBUIDLCMFVTIS-DLBZAZTESA-N 1 3 388.516 -0.081 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H](C)CN1 ZINC000419359320 1073925552 /nfs/dbraw/zinc/92/55/52/1073925552.db2.gz QIBUIDLCMFVTIS-IAGOWNOFSA-N 1 3 388.516 -0.081 20 0 GBADHO C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)CN1 ZINC000419359322 1073925459 /nfs/dbraw/zinc/92/54/59/1073925459.db2.gz QIBUIDLCMFVTIS-IRXDYDNUSA-N 1 3 388.516 -0.081 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)CN1 ZINC000419359324 1073925518 /nfs/dbraw/zinc/92/55/18/1073925518.db2.gz QIBUIDLCMFVTIS-SJORKVTESA-N 1 3 388.516 -0.081 20 0 GBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401887 1072162319 /nfs/dbraw/zinc/16/23/19/1072162319.db2.gz BHLHQWIAUPRDPT-KBPBESRZSA-N 1 3 393.454 -0.213 20 0 GBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401888 1072162621 /nfs/dbraw/zinc/16/26/21/1072162621.db2.gz BHLHQWIAUPRDPT-KGLIPLIRSA-N 1 3 393.454 -0.213 20 0 GBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401890 1072162518 /nfs/dbraw/zinc/16/25/18/1072162518.db2.gz BHLHQWIAUPRDPT-UONOGXRCSA-N 1 3 393.454 -0.213 20 0 GBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401892 1072162401 /nfs/dbraw/zinc/16/24/01/1072162401.db2.gz BHLHQWIAUPRDPT-ZIAGYGMSSA-N 1 3 393.454 -0.213 20 0 GBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419410109 1072164480 /nfs/dbraw/zinc/16/44/80/1072164480.db2.gz OEVVZPAGKIOCRX-AWEZNQCLSA-N 1 3 393.454 -0.213 20 0 GBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419410111 1072164405 /nfs/dbraw/zinc/16/44/05/1072164405.db2.gz OEVVZPAGKIOCRX-CQSZACIVSA-N 1 3 393.454 -0.213 20 0 GBADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419411402 1072164549 /nfs/dbraw/zinc/16/45/49/1072164549.db2.gz BNDDZIWPXPDEHW-BGYRXZFFSA-N 1 3 399.539 -0.012 20 0 GBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419411936 1072165637 /nfs/dbraw/zinc/16/56/37/1072165637.db2.gz CDXFEVVNPPYFRR-CVEARBPZSA-N 1 3 381.521 -0.177 20 0 GBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419411939 1072165056 /nfs/dbraw/zinc/16/50/56/1072165056.db2.gz CDXFEVVNPPYFRR-HOTGVXAUSA-N 1 3 381.521 -0.177 20 0 GBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419411942 1072165475 /nfs/dbraw/zinc/16/54/75/1072165475.db2.gz CDXFEVVNPPYFRR-HZPDHXFCSA-N 1 3 381.521 -0.177 20 0 GBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419411946 1072165400 /nfs/dbraw/zinc/16/54/00/1072165400.db2.gz CDXFEVVNPPYFRR-JKSUJKDBSA-N 1 3 381.521 -0.177 20 0 GBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419416031 1072165767 /nfs/dbraw/zinc/16/57/67/1072165767.db2.gz VRUGDOTYEUOLPB-CVEARBPZSA-N 1 3 381.521 -0.319 20 0 GBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419416033 1072165576 /nfs/dbraw/zinc/16/55/76/1072165576.db2.gz VRUGDOTYEUOLPB-HOTGVXAUSA-N 1 3 381.521 -0.319 20 0 GBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419416034 1072165808 /nfs/dbraw/zinc/16/58/08/1072165808.db2.gz VRUGDOTYEUOLPB-HZPDHXFCSA-N 1 3 381.521 -0.319 20 0 GBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419416036 1072165749 /nfs/dbraw/zinc/16/57/49/1072165749.db2.gz VRUGDOTYEUOLPB-JKSUJKDBSA-N 1 3 381.521 -0.319 20 0 GBADHO CC1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000419420047 1072163383 /nfs/dbraw/zinc/16/33/83/1072163383.db2.gz ZZRAVAFDCMDZDL-INIZCTEOSA-N 1 3 381.521 -0.319 20 0 GBADHO CC1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000419420050 1072163659 /nfs/dbraw/zinc/16/36/59/1072163659.db2.gz ZZRAVAFDCMDZDL-MRXNPFEDSA-N 1 3 381.521 -0.319 20 0 GBADHO CN1CCN(CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000419424409 1072163364 /nfs/dbraw/zinc/16/33/64/1072163364.db2.gz UDJFPOPQFAMOEL-GOSISDBHSA-N 1 3 391.516 -0.739 20 0 GBADHO CN1CCN(CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000419424411 1072164593 /nfs/dbraw/zinc/16/45/93/1072164593.db2.gz UDJFPOPQFAMOEL-SFHVURJKSA-N 1 3 391.516 -0.739 20 0 GBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419424465 1072164082 /nfs/dbraw/zinc/16/40/82/1072164082.db2.gz OHXCXIAAFALQNA-KBPBESRZSA-N 1 3 393.454 -0.071 20 0 GBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419424466 1072164517 /nfs/dbraw/zinc/16/45/17/1072164517.db2.gz OHXCXIAAFALQNA-KGLIPLIRSA-N 1 3 393.454 -0.071 20 0 GBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419424467 1072164291 /nfs/dbraw/zinc/16/42/91/1072164291.db2.gz OHXCXIAAFALQNA-UONOGXRCSA-N 1 3 393.454 -0.071 20 0 GBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419424468 1072164070 /nfs/dbraw/zinc/16/40/70/1072164070.db2.gz OHXCXIAAFALQNA-ZIAGYGMSSA-N 1 3 393.454 -0.071 20 0 GBADHO C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419425182 1072539726 /nfs/dbraw/zinc/53/97/26/1072539726.db2.gz VLUXHDYFGGDLMT-UHFFFAOYSA-N 1 3 375.517 -0.012 20 0 GBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419500844 1072172081 /nfs/dbraw/zinc/17/20/81/1072172081.db2.gz ALCBNISZKGYAAC-CVEARBPZSA-N 1 3 383.537 -0.123 20 0 GBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419500845 1072171961 /nfs/dbraw/zinc/17/19/61/1072171961.db2.gz ALCBNISZKGYAAC-HOTGVXAUSA-N 1 3 383.537 -0.123 20 0 GBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419500846 1072172012 /nfs/dbraw/zinc/17/20/12/1072172012.db2.gz ALCBNISZKGYAAC-HZPDHXFCSA-N 1 3 383.537 -0.123 20 0 GBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419500847 1072171998 /nfs/dbraw/zinc/17/19/98/1072171998.db2.gz ALCBNISZKGYAAC-JKSUJKDBSA-N 1 3 383.537 -0.123 20 0 GBADHO COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000419507230 1072173899 /nfs/dbraw/zinc/17/38/99/1072173899.db2.gz OIFCASPFGZGOGK-INIZCTEOSA-N 1 3 378.473 -0.181 20 0 GBADHO COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000419507231 1072174076 /nfs/dbraw/zinc/17/40/76/1072174076.db2.gz OIFCASPFGZGOGK-MRXNPFEDSA-N 1 3 378.473 -0.181 20 0 GBADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000419519037 1072175720 /nfs/dbraw/zinc/17/57/20/1072175720.db2.gz FIUJYMATFGKSEI-BZUAXINKSA-N 1 3 381.521 -0.511 20 0 GBADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000419519038 1072175779 /nfs/dbraw/zinc/17/57/79/1072175779.db2.gz FIUJYMATFGKSEI-OAGGEKHMSA-N 1 3 381.521 -0.511 20 0 GBADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000419519040 1072175958 /nfs/dbraw/zinc/17/59/58/1072175958.db2.gz FIUJYMATFGKSEI-PMPSAXMXSA-N 1 3 381.521 -0.511 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419519070 1072175806 /nfs/dbraw/zinc/17/58/06/1072175806.db2.gz FNJNXDQHCCAMOJ-KKUMJFAQSA-N 1 3 397.520 -0.726 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419519070 1072175802 /nfs/dbraw/zinc/17/58/02/1072175802.db2.gz FNJNXDQHCCAMOJ-KKUMJFAQSA-N 1 3 397.520 -0.726 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419519071 1072175948 /nfs/dbraw/zinc/17/59/48/1072175948.db2.gz FNJNXDQHCCAMOJ-RRFJBIMHSA-N 1 3 397.520 -0.726 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419519071 1072175945 /nfs/dbraw/zinc/17/59/45/1072175945.db2.gz FNJNXDQHCCAMOJ-RRFJBIMHSA-N 1 3 397.520 -0.726 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419519072 1072175882 /nfs/dbraw/zinc/17/58/82/1072175882.db2.gz FNJNXDQHCCAMOJ-SOUVJXGZSA-N 1 3 397.520 -0.726 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419519072 1072175877 /nfs/dbraw/zinc/17/58/77/1072175877.db2.gz FNJNXDQHCCAMOJ-SOUVJXGZSA-N 1 3 397.520 -0.726 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419519073 1072175683 /nfs/dbraw/zinc/17/56/83/1072175683.db2.gz FNJNXDQHCCAMOJ-ZNMIVQPWSA-N 1 3 397.520 -0.726 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419519073 1072175675 /nfs/dbraw/zinc/17/56/75/1072175675.db2.gz FNJNXDQHCCAMOJ-ZNMIVQPWSA-N 1 3 397.520 -0.726 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419520285 1072176073 /nfs/dbraw/zinc/17/60/73/1072176073.db2.gz HSQLYSFRGNBNFA-CVEARBPZSA-N 1 3 395.548 -0.060 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419520286 1072175835 /nfs/dbraw/zinc/17/58/35/1072175835.db2.gz HSQLYSFRGNBNFA-HOTGVXAUSA-N 1 3 395.548 -0.060 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419520287 1072176083 /nfs/dbraw/zinc/17/60/83/1072176083.db2.gz HSQLYSFRGNBNFA-HZPDHXFCSA-N 1 3 395.548 -0.060 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419520288 1072175935 /nfs/dbraw/zinc/17/59/35/1072175935.db2.gz HSQLYSFRGNBNFA-JKSUJKDBSA-N 1 3 395.548 -0.060 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419520891 1072175917 /nfs/dbraw/zinc/17/59/17/1072175917.db2.gz IPOCOHKQDFWKNV-DLBZAZTESA-N 1 3 389.500 -0.139 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419520892 1072175908 /nfs/dbraw/zinc/17/59/08/1072175908.db2.gz IPOCOHKQDFWKNV-IAGOWNOFSA-N 1 3 389.500 -0.139 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419520893 1072175925 /nfs/dbraw/zinc/17/59/25/1072175925.db2.gz IPOCOHKQDFWKNV-IRXDYDNUSA-N 1 3 389.500 -0.139 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419520894 1072175971 /nfs/dbraw/zinc/17/59/71/1072175971.db2.gz IPOCOHKQDFWKNV-SJORKVTESA-N 1 3 389.500 -0.139 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419520917 1072175842 /nfs/dbraw/zinc/17/58/42/1072175842.db2.gz IVFJVJXTZFHDPL-JYJNAYRXSA-N 1 3 381.521 -0.321 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419520918 1072175583 /nfs/dbraw/zinc/17/55/83/1072175583.db2.gz IVFJVJXTZFHDPL-OAGGEKHMSA-N 1 3 381.521 -0.321 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419520919 1072176102 /nfs/dbraw/zinc/17/61/02/1072176102.db2.gz IVFJVJXTZFHDPL-PMPSAXMXSA-N 1 3 381.521 -0.321 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419520920 1072175966 /nfs/dbraw/zinc/17/59/66/1072175966.db2.gz IVFJVJXTZFHDPL-XHSDSOJGSA-N 1 3 381.521 -0.321 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419521582 1072177068 /nfs/dbraw/zinc/17/70/68/1072177068.db2.gz KLIOGZDQFCKKPM-CVEARBPZSA-N 1 3 381.521 -0.321 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419521583 1072177280 /nfs/dbraw/zinc/17/72/80/1072177280.db2.gz KLIOGZDQFCKKPM-HOTGVXAUSA-N 1 3 381.521 -0.321 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419521584 1072177038 /nfs/dbraw/zinc/17/70/38/1072177038.db2.gz KLIOGZDQFCKKPM-HZPDHXFCSA-N 1 3 381.521 -0.321 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419521585 1072177002 /nfs/dbraw/zinc/17/70/02/1072177002.db2.gz KLIOGZDQFCKKPM-JKSUJKDBSA-N 1 3 381.521 -0.321 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419521831 1072177088 /nfs/dbraw/zinc/17/70/88/1072177088.db2.gz KVZMEMSADMWIGN-HZMVEIRTSA-N 1 3 393.532 -0.369 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419521832 1072176733 /nfs/dbraw/zinc/17/67/33/1072176733.db2.gz KVZMEMSADMWIGN-NXOAAHMSSA-N 1 3 393.532 -0.369 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419521833 1072177301 /nfs/dbraw/zinc/17/73/01/1072177301.db2.gz KVZMEMSADMWIGN-QAETUUGQSA-N 1 3 393.532 -0.369 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419521834 1072176880 /nfs/dbraw/zinc/17/68/80/1072176880.db2.gz KVZMEMSADMWIGN-YVSFHVDLSA-N 1 3 393.532 -0.369 20 0 GBADHO CCCN(C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000419522415 1072176672 /nfs/dbraw/zinc/17/66/72/1072176672.db2.gz MGFQZWMMHXWGGW-CVEARBPZSA-N 1 3 381.521 -0.354 20 0 GBADHO CCCN(C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000419522416 1072177269 /nfs/dbraw/zinc/17/72/69/1072177269.db2.gz MGFQZWMMHXWGGW-HOTGVXAUSA-N 1 3 381.521 -0.354 20 0 GBADHO CCCN(C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000419522417 1072176588 /nfs/dbraw/zinc/17/65/88/1072176588.db2.gz MGFQZWMMHXWGGW-HZPDHXFCSA-N 1 3 381.521 -0.354 20 0 GBADHO CCCN(C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000419522418 1072176613 /nfs/dbraw/zinc/17/66/13/1072176613.db2.gz MGFQZWMMHXWGGW-JKSUJKDBSA-N 1 3 381.521 -0.354 20 0 GBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419524508 1072176974 /nfs/dbraw/zinc/17/69/74/1072176974.db2.gz PWQSAJILWUJDME-ARFHVFGLSA-N 1 3 381.521 -0.226 20 0 GBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419524509 1072177180 /nfs/dbraw/zinc/17/71/80/1072177180.db2.gz PWQSAJILWUJDME-HRCADAONSA-N 1 3 381.521 -0.226 20 0 GBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419524510 1072176959 /nfs/dbraw/zinc/17/69/59/1072176959.db2.gz PWQSAJILWUJDME-JYJNAYRXSA-N 1 3 381.521 -0.226 20 0 GBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419524511 1072177058 /nfs/dbraw/zinc/17/70/58/1072177058.db2.gz PWQSAJILWUJDME-XHSDSOJGSA-N 1 3 381.521 -0.226 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419526151 1072176923 /nfs/dbraw/zinc/17/69/23/1072176923.db2.gz SPPALSBULBIBIJ-HNNXBMFYSA-N 1 3 381.521 -0.177 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419526152 1072177322 /nfs/dbraw/zinc/17/73/22/1072177322.db2.gz SPPALSBULBIBIJ-OAHLLOKOSA-N 1 3 381.521 -0.177 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C[NH3+] ZINC000419528492 1072174781 /nfs/dbraw/zinc/17/47/81/1072174781.db2.gz WBRLIXRJRDNGTA-BZUAXINKSA-N 1 3 381.521 -0.369 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@H]1C[NH3+] ZINC000419528493 1072175103 /nfs/dbraw/zinc/17/51/03/1072175103.db2.gz WBRLIXRJRDNGTA-OAGGEKHMSA-N 1 3 381.521 -0.369 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@@H]1C[NH3+] ZINC000419528494 1072174611 /nfs/dbraw/zinc/17/46/11/1072174611.db2.gz WBRLIXRJRDNGTA-OWCLPIDISA-N 1 3 381.521 -0.369 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H]1C[NH3+] ZINC000419528495 1072174710 /nfs/dbraw/zinc/17/47/10/1072174710.db2.gz WBRLIXRJRDNGTA-PMPSAXMXSA-N 1 3 381.521 -0.369 20 0 GBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000419583414 1072181221 /nfs/dbraw/zinc/18/12/21/1072181221.db2.gz LCWWLLVFBWIUIC-KBXCAEBGSA-N 1 3 399.561 -0.614 20 0 GBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000419583421 1072181548 /nfs/dbraw/zinc/18/15/48/1072181548.db2.gz LCWWLLVFBWIUIC-KDOFPFPSSA-N 1 3 399.561 -0.614 20 0 GBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000419583423 1072181377 /nfs/dbraw/zinc/18/13/77/1072181377.db2.gz LCWWLLVFBWIUIC-KSSFIOAISA-N 1 3 399.561 -0.614 20 0 GBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000419583425 1072181171 /nfs/dbraw/zinc/18/11/71/1072181171.db2.gz LCWWLLVFBWIUIC-RDTXWAMCSA-N 1 3 399.561 -0.614 20 0 GBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596423 1072184963 /nfs/dbraw/zinc/18/49/63/1072184963.db2.gz YJMCUMFGXXBVJE-KBPBESRZSA-N 1 3 393.454 -0.071 20 0 GBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596424 1072184588 /nfs/dbraw/zinc/18/45/88/1072184588.db2.gz YJMCUMFGXXBVJE-KGLIPLIRSA-N 1 3 393.454 -0.071 20 0 GBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596425 1072184685 /nfs/dbraw/zinc/18/46/85/1072184685.db2.gz YJMCUMFGXXBVJE-UONOGXRCSA-N 1 3 393.454 -0.071 20 0 GBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596426 1072184635 /nfs/dbraw/zinc/18/46/35/1072184635.db2.gz YJMCUMFGXXBVJE-ZIAGYGMSSA-N 1 3 393.454 -0.071 20 0 GBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419596690 1072184174 /nfs/dbraw/zinc/18/41/74/1072184174.db2.gz YPVCEIFIVJLNKP-CVEARBPZSA-N 1 3 381.521 -0.177 20 0 GBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419596691 1072184141 /nfs/dbraw/zinc/18/41/41/1072184141.db2.gz YPVCEIFIVJLNKP-HOTGVXAUSA-N 1 3 381.521 -0.177 20 0 GBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419596693 1072184624 /nfs/dbraw/zinc/18/46/24/1072184624.db2.gz YPVCEIFIVJLNKP-HZPDHXFCSA-N 1 3 381.521 -0.177 20 0 GBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419596694 1072184698 /nfs/dbraw/zinc/18/46/98/1072184698.db2.gz YPVCEIFIVJLNKP-JKSUJKDBSA-N 1 3 381.521 -0.177 20 0 GBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686532 1072192485 /nfs/dbraw/zinc/19/24/85/1072192485.db2.gz OMXGTKNSCOYUMA-CABCVRRESA-N 1 3 382.505 -0.023 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686537 1072192017 /nfs/dbraw/zinc/19/20/17/1072192017.db2.gz OMXGTKNSCOYUMA-GJZGRUSLSA-N 1 3 382.505 -0.023 20 0 GBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686539 1072192387 /nfs/dbraw/zinc/19/23/87/1072192387.db2.gz OMXGTKNSCOYUMA-HUUCEWRRSA-N 1 3 382.505 -0.023 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686542 1072192052 /nfs/dbraw/zinc/19/20/52/1072192052.db2.gz OMXGTKNSCOYUMA-LSDHHAIUSA-N 1 3 382.505 -0.023 20 0 GBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419769904 1072200197 /nfs/dbraw/zinc/20/01/97/1072200197.db2.gz DVBWBDNLIIWLGK-CABCVRRESA-N 1 3 381.521 -0.464 20 0 GBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419769906 1072200254 /nfs/dbraw/zinc/20/02/54/1072200254.db2.gz DVBWBDNLIIWLGK-GJZGRUSLSA-N 1 3 381.521 -0.464 20 0 GBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419769907 1072199912 /nfs/dbraw/zinc/19/99/12/1072199912.db2.gz DVBWBDNLIIWLGK-HUUCEWRRSA-N 1 3 381.521 -0.464 20 0 GBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419769909 1072200423 /nfs/dbraw/zinc/20/04/23/1072200423.db2.gz DVBWBDNLIIWLGK-LSDHHAIUSA-N 1 3 381.521 -0.464 20 0 GBADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCCC1 ZINC000419812336 1072206589 /nfs/dbraw/zinc/20/65/89/1072206589.db2.gz ZNRQONBEVDTGDC-UHFFFAOYSA-N 1 3 379.505 -0.469 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419824520 1072204624 /nfs/dbraw/zinc/20/46/24/1072204624.db2.gz TZPDQPWOFAZSPP-UHFFFAOYSA-N 1 3 381.521 -0.223 20 0 GBADHO [NH3+]CCCNC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000419833423 1072209553 /nfs/dbraw/zinc/20/95/53/1072209553.db2.gz LPAGPNCUPLMBMY-KRWDZBQOSA-N 1 3 388.516 -0.093 20 0 GBADHO [NH3+]CCCNC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000419833424 1072209661 /nfs/dbraw/zinc/20/96/61/1072209661.db2.gz LPAGPNCUPLMBMY-QGZVFWFLSA-N 1 3 388.516 -0.093 20 0 GBADHO C[NH2+]CCCNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419839405 1072211031 /nfs/dbraw/zinc/21/10/31/1072211031.db2.gz AYRNHEVOQYPKKG-UHFFFAOYSA-N 1 3 375.517 -0.012 20 0 GBADHO C[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)CN1CCN(C)CC1 ZINC000419840793 1072212098 /nfs/dbraw/zinc/21/20/98/1072212098.db2.gz ZMPMYIDAGXGSSX-KRWDZBQOSA-N 1 3 375.517 -0.026 20 0 GBADHO C[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)CN1CCN(C)CC1 ZINC000419840794 1072211980 /nfs/dbraw/zinc/21/19/80/1072211980.db2.gz ZMPMYIDAGXGSSX-QGZVFWFLSA-N 1 3 375.517 -0.026 20 0 GBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419849973 1072207969 /nfs/dbraw/zinc/20/79/69/1072207969.db2.gz DLHLGTPGCPTMAB-GOSISDBHSA-N 1 3 375.517 -0.313 20 0 GBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419849974 1072207997 /nfs/dbraw/zinc/20/79/97/1072207997.db2.gz DLHLGTPGCPTMAB-SFHVURJKSA-N 1 3 375.517 -0.313 20 0 GBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCCN2CC[NH2+]CC2)o1 ZINC000419852413 1072213774 /nfs/dbraw/zinc/21/37/74/1072213774.db2.gz LFBDRSOJFGPZMN-UHFFFAOYSA-N 1 3 379.505 -0.110 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419873964 1072219803 /nfs/dbraw/zinc/21/98/03/1072219803.db2.gz SIXUCLCAQFPXAY-UHFFFAOYSA-N 1 3 390.488 -0.850 20 0 GBADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419874790 1072220029 /nfs/dbraw/zinc/22/00/29/1072220029.db2.gz GGVCXNQEVGIXRY-UHFFFAOYSA-N 1 3 375.517 -0.093 20 0 GBADHO CN(C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000419875757 1072220063 /nfs/dbraw/zinc/22/00/63/1072220063.db2.gz VBTBBAJESWVXJO-GOSISDBHSA-N 1 3 375.517 -0.313 20 0 GBADHO CN(C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000419875763 1072220079 /nfs/dbraw/zinc/22/00/79/1072220079.db2.gz VBTBBAJESWVXJO-SFHVURJKSA-N 1 3 375.517 -0.313 20 0 GBADHO CN(C)C1(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419875930 1072219874 /nfs/dbraw/zinc/21/98/74/1072219874.db2.gz VJGDEJTVXZRKQG-UHFFFAOYSA-N 1 3 387.528 -0.387 20 0 GBADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878748 1072221529 /nfs/dbraw/zinc/22/15/29/1072221529.db2.gz YITMAACVDWQTJE-UHFFFAOYSA-N 1 3 379.480 -0.263 20 0 GBADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419881804 1072222514 /nfs/dbraw/zinc/22/25/14/1072222514.db2.gz LTECNUMNFLJWGC-UHFFFAOYSA-N 1 3 391.516 -0.393 20 0 GBADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419886990 1072222869 /nfs/dbraw/zinc/22/28/69/1072222869.db2.gz PUNUMWKZACEMAB-UHFFFAOYSA-N 1 3 397.470 -0.124 20 0 GBADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419888155 1072222830 /nfs/dbraw/zinc/22/28/30/1072222830.db2.gz QZDZWPLAPHCSPZ-UHFFFAOYSA-N 1 3 397.470 -0.124 20 0 GBADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419890363 1072223240 /nfs/dbraw/zinc/22/32/40/1072223240.db2.gz SOWBYJUWBHAFKV-UHFFFAOYSA-N 1 3 379.480 -0.263 20 0 GBADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419890461 1072223701 /nfs/dbraw/zinc/22/37/01/1072223701.db2.gz SWJYIHOLDDKFSL-UHFFFAOYSA-N 1 3 379.480 -0.263 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419892369 1072223879 /nfs/dbraw/zinc/22/38/79/1072223879.db2.gz NYMQEBYLHUUFDY-CVEARBPZSA-N 1 3 381.521 -0.497 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419892370 1072223728 /nfs/dbraw/zinc/22/37/28/1072223728.db2.gz NYMQEBYLHUUFDY-HOTGVXAUSA-N 1 3 381.521 -0.497 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419892371 1072223848 /nfs/dbraw/zinc/22/38/48/1072223848.db2.gz NYMQEBYLHUUFDY-HZPDHXFCSA-N 1 3 381.521 -0.497 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419892372 1072223907 /nfs/dbraw/zinc/22/39/07/1072223907.db2.gz NYMQEBYLHUUFDY-JKSUJKDBSA-N 1 3 381.521 -0.497 20 0 GBADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419895260 1072224332 /nfs/dbraw/zinc/22/43/32/1072224332.db2.gz RUXTUZAKYURBHY-UHFFFAOYSA-N 1 3 375.517 -0.012 20 0 GBADHO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419897195 1072225166 /nfs/dbraw/zinc/22/51/66/1072225166.db2.gz QIPXRISSFMQTKV-CVEARBPZSA-N 1 3 379.505 -0.743 20 0 GBADHO C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419897196 1072225382 /nfs/dbraw/zinc/22/53/82/1072225382.db2.gz QIPXRISSFMQTKV-HOTGVXAUSA-N 1 3 379.505 -0.743 20 0 GBADHO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419897197 1072225402 /nfs/dbraw/zinc/22/54/02/1072225402.db2.gz QIPXRISSFMQTKV-HZPDHXFCSA-N 1 3 379.505 -0.743 20 0 GBADHO C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419897198 1072225229 /nfs/dbraw/zinc/22/52/29/1072225229.db2.gz QIPXRISSFMQTKV-JKSUJKDBSA-N 1 3 379.505 -0.743 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419918037 1072227657 /nfs/dbraw/zinc/22/76/57/1072227657.db2.gz SZNHADYLVFTRJV-KRWDZBQOSA-N 1 3 389.500 -0.185 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419918038 1072227520 /nfs/dbraw/zinc/22/75/20/1072227520.db2.gz SZNHADYLVFTRJV-QGZVFWFLSA-N 1 3 389.500 -0.185 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419923812 1072228476 /nfs/dbraw/zinc/22/84/76/1072228476.db2.gz GSNZHEASEBBGPN-DLBZAZTESA-N 1 3 387.484 -0.432 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419923815 1072228420 /nfs/dbraw/zinc/22/84/20/1072228420.db2.gz GSNZHEASEBBGPN-IAGOWNOFSA-N 1 3 387.484 -0.432 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419923817 1072228203 /nfs/dbraw/zinc/22/82/03/1072228203.db2.gz GSNZHEASEBBGPN-IRXDYDNUSA-N 1 3 387.484 -0.432 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419923820 1072228235 /nfs/dbraw/zinc/22/82/35/1072228235.db2.gz GSNZHEASEBBGPN-SJORKVTESA-N 1 3 387.484 -0.432 20 0 GBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000419924193 1072228351 /nfs/dbraw/zinc/22/83/51/1072228351.db2.gz CACMWKCJUGGIOH-HNNXBMFYSA-N 1 3 376.505 -0.237 20 0 GBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000419924196 1072228211 /nfs/dbraw/zinc/22/82/11/1072228211.db2.gz CACMWKCJUGGIOH-OAHLLOKOSA-N 1 3 376.505 -0.237 20 0 GBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000419934616 1072231694 /nfs/dbraw/zinc/23/16/94/1072231694.db2.gz RFNQTHAPUNAKIY-KRWDZBQOSA-N 1 3 387.484 -0.431 20 0 GBADHO [NH3+][C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000419934617 1072231750 /nfs/dbraw/zinc/23/17/50/1072231750.db2.gz RFNQTHAPUNAKIY-QGZVFWFLSA-N 1 3 387.484 -0.431 20 0 GBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419960678 1072233303 /nfs/dbraw/zinc/23/33/03/1072233303.db2.gz SMNFNOBAVBGOMA-KRWDZBQOSA-N 1 3 375.517 -0.026 20 0 GBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419960680 1072233048 /nfs/dbraw/zinc/23/30/48/1072233048.db2.gz SMNFNOBAVBGOMA-QGZVFWFLSA-N 1 3 375.517 -0.026 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974192 1072235081 /nfs/dbraw/zinc/23/50/81/1072235081.db2.gz HZBHSZLVHPZCNV-DLBZAZTESA-N 1 3 393.532 -0.225 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974193 1072235597 /nfs/dbraw/zinc/23/55/97/1072235597.db2.gz HZBHSZLVHPZCNV-IAGOWNOFSA-N 1 3 393.532 -0.225 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974194 1072235136 /nfs/dbraw/zinc/23/51/36/1072235136.db2.gz HZBHSZLVHPZCNV-IRXDYDNUSA-N 1 3 393.532 -0.225 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974195 1072235102 /nfs/dbraw/zinc/23/51/02/1072235102.db2.gz HZBHSZLVHPZCNV-SJORKVTESA-N 1 3 393.532 -0.225 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419976813 1072235118 /nfs/dbraw/zinc/23/51/18/1072235118.db2.gz LZKNMURMSYAIFY-INIZCTEOSA-N 1 3 381.521 -0.495 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419976814 1072235182 /nfs/dbraw/zinc/23/51/82/1072235182.db2.gz LZKNMURMSYAIFY-MRXNPFEDSA-N 1 3 381.521 -0.495 20 0 GBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCCC1 ZINC000419978118 1072235624 /nfs/dbraw/zinc/23/56/24/1072235624.db2.gz NSIQSCLIICZUOJ-KRWDZBQOSA-N 1 3 393.532 -0.223 20 0 GBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCCC1 ZINC000419978119 1072235536 /nfs/dbraw/zinc/23/55/36/1072235536.db2.gz NSIQSCLIICZUOJ-QGZVFWFLSA-N 1 3 393.532 -0.223 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419997574 1072237448 /nfs/dbraw/zinc/23/74/48/1072237448.db2.gz KDMPNIULDPKPDT-CVEARBPZSA-N 1 3 379.505 -0.743 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419997576 1072237611 /nfs/dbraw/zinc/23/76/11/1072237611.db2.gz KDMPNIULDPKPDT-HOTGVXAUSA-N 1 3 379.505 -0.743 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419997578 1072237653 /nfs/dbraw/zinc/23/76/53/1072237653.db2.gz KDMPNIULDPKPDT-HZPDHXFCSA-N 1 3 379.505 -0.743 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419997580 1072237696 /nfs/dbraw/zinc/23/76/96/1072237696.db2.gz KDMPNIULDPKPDT-JKSUJKDBSA-N 1 3 379.505 -0.743 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420000568 1072238412 /nfs/dbraw/zinc/23/84/12/1072238412.db2.gz OLTJCSSISCPELG-INIZCTEOSA-N 1 3 379.505 -0.741 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000420000569 1072238580 /nfs/dbraw/zinc/23/85/80/1072238580.db2.gz OLTJCSSISCPELG-MRXNPFEDSA-N 1 3 379.505 -0.741 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420012468 1072242742 /nfs/dbraw/zinc/24/27/42/1072242742.db2.gz IGMDAOLKVLADFO-CVEARBPZSA-N 1 3 381.521 -0.367 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420012469 1072242578 /nfs/dbraw/zinc/24/25/78/1072242578.db2.gz IGMDAOLKVLADFO-HOTGVXAUSA-N 1 3 381.521 -0.367 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420012471 1072242643 /nfs/dbraw/zinc/24/26/43/1072242643.db2.gz IGMDAOLKVLADFO-HZPDHXFCSA-N 1 3 381.521 -0.367 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420012473 1072242612 /nfs/dbraw/zinc/24/26/12/1072242612.db2.gz IGMDAOLKVLADFO-JKSUJKDBSA-N 1 3 381.521 -0.367 20 0 GBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000420019002 1072243771 /nfs/dbraw/zinc/24/37/71/1072243771.db2.gz ZMJZFLFORWHSIF-IAGOWNOFSA-N 1 3 388.516 -0.094 20 0 GBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000420019003 1072243780 /nfs/dbraw/zinc/24/37/80/1072243780.db2.gz ZMJZFLFORWHSIF-SJORKVTESA-N 1 3 388.516 -0.094 20 0 GBADHO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420035333 1072241842 /nfs/dbraw/zinc/24/18/42/1072241842.db2.gz JZOSPKUZLOJTBA-KBPBESRZSA-N 1 3 391.472 -0.032 20 0 GBADHO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420035334 1072241882 /nfs/dbraw/zinc/24/18/82/1072241882.db2.gz JZOSPKUZLOJTBA-KGLIPLIRSA-N 1 3 391.472 -0.032 20 0 GBADHO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420035335 1072241977 /nfs/dbraw/zinc/24/19/77/1072241977.db2.gz JZOSPKUZLOJTBA-UONOGXRCSA-N 1 3 391.472 -0.032 20 0 GBADHO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420035336 1072242115 /nfs/dbraw/zinc/24/21/15/1072242115.db2.gz JZOSPKUZLOJTBA-ZIAGYGMSSA-N 1 3 391.472 -0.032 20 0 GBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000420035944 1072240125 /nfs/dbraw/zinc/24/01/25/1072240125.db2.gz ZMJZFLFORWHSIF-DLBZAZTESA-N 1 3 388.516 -0.094 20 0 GBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000420035945 1072239805 /nfs/dbraw/zinc/23/98/05/1072239805.db2.gz ZMJZFLFORWHSIF-IRXDYDNUSA-N 1 3 388.516 -0.094 20 0 GBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000420045592 1072246600 /nfs/dbraw/zinc/24/66/00/1072246600.db2.gz ARWFBWKCTVXWNQ-INIZCTEOSA-N 1 3 379.505 -0.613 20 0 GBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000420045593 1072247389 /nfs/dbraw/zinc/24/73/89/1072247389.db2.gz ARWFBWKCTVXWNQ-MRXNPFEDSA-N 1 3 379.505 -0.613 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420047218 1072247082 /nfs/dbraw/zinc/24/70/82/1072247082.db2.gz WDHXMXLHXYACRJ-BBWFWOEESA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420047218 1072247072 /nfs/dbraw/zinc/24/70/72/1072247072.db2.gz WDHXMXLHXYACRJ-BBWFWOEESA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420047224 1072247505 /nfs/dbraw/zinc/24/75/05/1072247505.db2.gz WDHXMXLHXYACRJ-GVDBMIGSSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420047224 1072247499 /nfs/dbraw/zinc/24/74/99/1072247499.db2.gz WDHXMXLHXYACRJ-GVDBMIGSSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420047225 1072247437 /nfs/dbraw/zinc/24/74/37/1072247437.db2.gz WDHXMXLHXYACRJ-ULQDDVLXSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420047225 1072247430 /nfs/dbraw/zinc/24/74/30/1072247430.db2.gz WDHXMXLHXYACRJ-ULQDDVLXSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420047228 1072247130 /nfs/dbraw/zinc/24/71/30/1072247130.db2.gz WDHXMXLHXYACRJ-YESZJQIVSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420047228 1072247120 /nfs/dbraw/zinc/24/71/20/1072247120.db2.gz WDHXMXLHXYACRJ-YESZJQIVSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420055157 1072248211 /nfs/dbraw/zinc/24/82/11/1072248211.db2.gz HQHFJLJHJGQADK-HLLBOEOZSA-N 1 3 395.548 -0.158 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420055158 1072248389 /nfs/dbraw/zinc/24/83/89/1072248389.db2.gz HQHFJLJHJGQADK-VYDXJSESSA-N 1 3 395.548 -0.158 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420055159 1072248408 /nfs/dbraw/zinc/24/84/08/1072248408.db2.gz HQHFJLJHJGQADK-YQQAZPJKSA-N 1 3 395.548 -0.158 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420055160 1072248465 /nfs/dbraw/zinc/24/84/65/1072248465.db2.gz HQHFJLJHJGQADK-ZOBUZTSGSA-N 1 3 395.548 -0.158 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420068440 1072249195 /nfs/dbraw/zinc/24/91/95/1072249195.db2.gz ZLPJCEJSSBAATP-CVEARBPZSA-N 1 3 379.505 -0.615 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420068441 1072249479 /nfs/dbraw/zinc/24/94/79/1072249479.db2.gz ZLPJCEJSSBAATP-HOTGVXAUSA-N 1 3 379.505 -0.615 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420068442 1072249329 /nfs/dbraw/zinc/24/93/29/1072249329.db2.gz ZLPJCEJSSBAATP-HZPDHXFCSA-N 1 3 379.505 -0.615 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420068443 1072249219 /nfs/dbraw/zinc/24/92/19/1072249219.db2.gz ZLPJCEJSSBAATP-JKSUJKDBSA-N 1 3 379.505 -0.615 20 0 GBADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420074532 1072250095 /nfs/dbraw/zinc/25/00/95/1072250095.db2.gz ZQANGFNYVDJAOK-CVEARBPZSA-N 1 3 379.505 -0.613 20 0 GBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420074535 1072249903 /nfs/dbraw/zinc/24/99/03/1072249903.db2.gz ZQANGFNYVDJAOK-HOTGVXAUSA-N 1 3 379.505 -0.613 20 0 GBADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420074538 1072250031 /nfs/dbraw/zinc/25/00/31/1072250031.db2.gz ZQANGFNYVDJAOK-HZPDHXFCSA-N 1 3 379.505 -0.613 20 0 GBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420074541 1072250011 /nfs/dbraw/zinc/25/00/11/1072250011.db2.gz ZQANGFNYVDJAOK-JKSUJKDBSA-N 1 3 379.505 -0.613 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420079495 1072250890 /nfs/dbraw/zinc/25/08/90/1072250890.db2.gz FFSBFTVHMJFRCU-UHFFFAOYSA-N 1 3 381.521 -0.495 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420087009 1072251896 /nfs/dbraw/zinc/25/18/96/1072251896.db2.gz PBIJGQIUEGUPMV-INIZCTEOSA-N 1 3 381.521 -0.367 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420087010 1072252015 /nfs/dbraw/zinc/25/20/15/1072252015.db2.gz PBIJGQIUEGUPMV-MRXNPFEDSA-N 1 3 381.521 -0.367 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420093572 1072255056 /nfs/dbraw/zinc/25/50/56/1072255056.db2.gz PWXNHTLENNWDEY-GOSISDBHSA-N 1 3 399.495 -0.329 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420093577 1072254964 /nfs/dbraw/zinc/25/49/64/1072254964.db2.gz PWXNHTLENNWDEY-SFHVURJKSA-N 1 3 399.495 -0.329 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420099376 1072252645 /nfs/dbraw/zinc/25/26/45/1072252645.db2.gz KFVQKYPCSVBDAJ-IBGZPJMESA-N 1 3 381.521 -0.495 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420099379 1072252555 /nfs/dbraw/zinc/25/25/55/1072252555.db2.gz KFVQKYPCSVBDAJ-LJQANCHMSA-N 1 3 381.521 -0.495 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420100572 1072252682 /nfs/dbraw/zinc/25/26/82/1072252682.db2.gz ZURHNTAHUWQOII-UHFFFAOYSA-N 1 3 399.495 -0.327 20 0 GBADHO CC1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]CC1 ZINC000420121961 1072256411 /nfs/dbraw/zinc/25/64/11/1072256411.db2.gz NFKBYWYADHTAJR-UHFFFAOYSA-N 1 3 379.505 -0.741 20 0 GBADHO C[C@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]C1 ZINC000420126348 1072257184 /nfs/dbraw/zinc/25/71/84/1072257184.db2.gz RLAFQABVKKNBSK-IBGZPJMESA-N 1 3 379.505 -0.741 20 0 GBADHO C[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]C1 ZINC000420126349 1072257097 /nfs/dbraw/zinc/25/70/97/1072257097.db2.gz RLAFQABVKKNBSK-LJQANCHMSA-N 1 3 379.505 -0.741 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161224 1072257745 /nfs/dbraw/zinc/25/77/45/1072257745.db2.gz JNCWRLOKEMIPGZ-CVEARBPZSA-N 1 3 393.532 -0.354 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161225 1072257843 /nfs/dbraw/zinc/25/78/43/1072257843.db2.gz JNCWRLOKEMIPGZ-HOTGVXAUSA-N 1 3 393.532 -0.354 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161226 1072258037 /nfs/dbraw/zinc/25/80/37/1072258037.db2.gz JNCWRLOKEMIPGZ-HZPDHXFCSA-N 1 3 393.532 -0.354 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161227 1072257772 /nfs/dbraw/zinc/25/77/72/1072257772.db2.gz JNCWRLOKEMIPGZ-JKSUJKDBSA-N 1 3 393.532 -0.354 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420162423 1072258095 /nfs/dbraw/zinc/25/80/95/1072258095.db2.gz IEVJYYIDQTUTBH-INIZCTEOSA-N 1 3 377.489 -0.823 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420162424 1072258126 /nfs/dbraw/zinc/25/81/26/1072258126.db2.gz IEVJYYIDQTUTBH-MRXNPFEDSA-N 1 3 377.489 -0.823 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420162921 1072258977 /nfs/dbraw/zinc/25/89/77/1072258977.db2.gz JIMKXGAREACTTP-UHFFFAOYSA-N 1 3 379.505 -0.575 20 0 GBADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420163572 1072258788 /nfs/dbraw/zinc/25/87/88/1072258788.db2.gz LIKWQIFOOVRZSB-INIZCTEOSA-N 1 3 393.532 -0.353 20 0 GBADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420163573 1072258710 /nfs/dbraw/zinc/25/87/10/1072258710.db2.gz LIKWQIFOOVRZSB-MRXNPFEDSA-N 1 3 393.532 -0.353 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420166334 1072264867 /nfs/dbraw/zinc/26/48/67/1072264867.db2.gz OETFWVXRYQUMGU-INIZCTEOSA-N 1 3 395.548 -0.107 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420166335 1072264937 /nfs/dbraw/zinc/26/49/37/1072264937.db2.gz OETFWVXRYQUMGU-MRXNPFEDSA-N 1 3 395.548 -0.107 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420166490 1072264246 /nfs/dbraw/zinc/26/42/46/1072264246.db2.gz PNCZPYISBKRUGK-UHFFFAOYSA-N 1 3 377.489 -0.821 20 0 GBADHO C[NH+]1CCC(CNC(=O)C(=O)NCC(F)(F)CN)(N2CCCCC2)CC1 ZINC000420177523 1072261223 /nfs/dbraw/zinc/26/12/23/1072261223.db2.gz SAEHQBZPVCUIEZ-UHFFFAOYSA-N 1 3 375.464 -0.237 20 0 GBADHO CN1CCC(CNC(=O)C(=O)NCC(F)(F)CN)([NH+]2CCCCC2)CC1 ZINC000420177523 1072261212 /nfs/dbraw/zinc/26/12/12/1072261212.db2.gz SAEHQBZPVCUIEZ-UHFFFAOYSA-N 1 3 375.464 -0.237 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420182106 1072262905 /nfs/dbraw/zinc/26/29/05/1072262905.db2.gz FFXBINOZNZKDCZ-AWEZNQCLSA-N 1 3 377.445 -0.767 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420182107 1072262934 /nfs/dbraw/zinc/26/29/34/1072262934.db2.gz FFXBINOZNZKDCZ-CQSZACIVSA-N 1 3 377.445 -0.767 20 0 GBADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000420188803 1072269845 /nfs/dbraw/zinc/26/98/45/1072269845.db2.gz CYBCHTUTKOPOLO-KRWDZBQOSA-N 1 3 378.473 -0.310 20 0 GBADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000420188804 1072270304 /nfs/dbraw/zinc/27/03/04/1072270304.db2.gz CYBCHTUTKOPOLO-QGZVFWFLSA-N 1 3 378.473 -0.310 20 0 GBADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420190512 1072270089 /nfs/dbraw/zinc/27/00/89/1072270089.db2.gz FYABRKQCNWVXQE-KRWDZBQOSA-N 1 3 384.521 -0.312 20 0 GBADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420190512 1072270078 /nfs/dbraw/zinc/27/00/78/1072270078.db2.gz FYABRKQCNWVXQE-KRWDZBQOSA-N 1 3 384.521 -0.312 20 0 GBADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420190514 1072270223 /nfs/dbraw/zinc/27/02/23/1072270223.db2.gz FYABRKQCNWVXQE-QGZVFWFLSA-N 1 3 384.521 -0.312 20 0 GBADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420190514 1072270216 /nfs/dbraw/zinc/27/02/16/1072270216.db2.gz FYABRKQCNWVXQE-QGZVFWFLSA-N 1 3 384.521 -0.312 20 0 GBADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420192232 1072270792 /nfs/dbraw/zinc/27/07/92/1072270792.db2.gz HVOQBPWPKUUELQ-AWEZNQCLSA-N 1 3 384.427 -0.040 20 0 GBADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420192233 1072271055 /nfs/dbraw/zinc/27/10/55/1072271055.db2.gz HVOQBPWPKUUELQ-CQSZACIVSA-N 1 3 384.427 -0.040 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420197146 1072267129 /nfs/dbraw/zinc/26/71/29/1072267129.db2.gz BGWBRUWLCCNRQN-BRWVUGGUSA-N 1 3 393.532 -0.497 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420197148 1072267039 /nfs/dbraw/zinc/26/70/39/1072267039.db2.gz BGWBRUWLCCNRQN-GVDBMIGSSA-N 1 3 393.532 -0.497 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420197152 1072267049 /nfs/dbraw/zinc/26/70/49/1072267049.db2.gz BGWBRUWLCCNRQN-IXDOHACOSA-N 1 3 393.532 -0.497 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420197155 1072266982 /nfs/dbraw/zinc/26/69/82/1072266982.db2.gz BGWBRUWLCCNRQN-YESZJQIVSA-N 1 3 393.532 -0.497 20 0 GBADHO CC(=O)NC1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420199210 1072266548 /nfs/dbraw/zinc/26/65/48/1072266548.db2.gz DQSWRRUZLXOTDD-UHFFFAOYSA-N 1 3 387.484 -0.557 20 0 GBADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201026 1072266857 /nfs/dbraw/zinc/26/68/57/1072266857.db2.gz NHKGPJLQBKPFNQ-FXAWDEMLSA-N 1 3 390.484 -0.814 20 0 GBADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201026 1072266847 /nfs/dbraw/zinc/26/68/47/1072266847.db2.gz NHKGPJLQBKPFNQ-FXAWDEMLSA-N 1 3 390.484 -0.814 20 0 GBADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201028 1072267068 /nfs/dbraw/zinc/26/70/68/1072267068.db2.gz NHKGPJLQBKPFNQ-PXNSSMCTSA-N 1 3 390.484 -0.814 20 0 GBADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201028 1072267063 /nfs/dbraw/zinc/26/70/63/1072267063.db2.gz NHKGPJLQBKPFNQ-PXNSSMCTSA-N 1 3 390.484 -0.814 20 0 GBADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420201031 1072267106 /nfs/dbraw/zinc/26/71/06/1072267106.db2.gz NHKGPJLQBKPFNQ-XLIONFOSSA-N 1 3 390.484 -0.814 20 0 GBADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420201031 1072267100 /nfs/dbraw/zinc/26/71/00/1072267100.db2.gz NHKGPJLQBKPFNQ-XLIONFOSSA-N 1 3 390.484 -0.814 20 0 GBADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420201033 1072266627 /nfs/dbraw/zinc/26/66/27/1072266627.db2.gz NHKGPJLQBKPFNQ-YLJYHZDGSA-N 1 3 390.484 -0.814 20 0 GBADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420201033 1072266622 /nfs/dbraw/zinc/26/66/22/1072266622.db2.gz NHKGPJLQBKPFNQ-YLJYHZDGSA-N 1 3 390.484 -0.814 20 0 GBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)CC1 ZINC000420201756 1072266560 /nfs/dbraw/zinc/26/65/60/1072266560.db2.gz ORTBSPSVXYLSEH-KRWDZBQOSA-N 1 3 381.521 -0.892 20 0 GBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)CC1 ZINC000420201758 1072268148 /nfs/dbraw/zinc/26/81/48/1072268148.db2.gz ORTBSPSVXYLSEH-QGZVFWFLSA-N 1 3 381.521 -0.892 20 0 GBADHO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420203174 1072268190 /nfs/dbraw/zinc/26/81/90/1072268190.db2.gz KKEZKYYSLSYGDF-HNNXBMFYSA-N 1 3 387.484 -0.557 20 0 GBADHO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420203176 1072267700 /nfs/dbraw/zinc/26/77/00/1072267700.db2.gz KKEZKYYSLSYGDF-OAHLLOKOSA-N 1 3 387.484 -0.557 20 0 GBADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)C[C@@H](C)O1 ZINC000420204222 1072267913 /nfs/dbraw/zinc/26/79/13/1072267913.db2.gz QYQQZYADLJFBCX-JFIYKMOQSA-N 1 3 396.532 -0.171 20 0 GBADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)C[C@H](C)O1 ZINC000420204225 1072267504 /nfs/dbraw/zinc/26/75/04/1072267504.db2.gz QYQQZYADLJFBCX-JZXOWHBKSA-N 1 3 396.532 -0.171 20 0 GBADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)C[C@H](C)O1 ZINC000420204225 1072267496 /nfs/dbraw/zinc/26/74/96/1072267496.db2.gz QYQQZYADLJFBCX-JZXOWHBKSA-N 1 3 396.532 -0.171 20 0 GBADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)C[C@@H](C)O1 ZINC000420204227 1072267757 /nfs/dbraw/zinc/26/77/57/1072267757.db2.gz QYQQZYADLJFBCX-NUJGCVRESA-N 1 3 396.532 -0.171 20 0 GBADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)C[C@H](C)O1 ZINC000420204230 1072268215 /nfs/dbraw/zinc/26/82/15/1072268215.db2.gz QYQQZYADLJFBCX-SOLBZPMBSA-N 1 3 396.532 -0.171 20 0 GBADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)C[C@H](C)O1 ZINC000420204230 1072268211 /nfs/dbraw/zinc/26/82/11/1072268211.db2.gz QYQQZYADLJFBCX-SOLBZPMBSA-N 1 3 396.532 -0.171 20 0 GBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420205439 1072268816 /nfs/dbraw/zinc/26/88/16/1072268816.db2.gz DJBSYHIDLLCYSX-CYBMUJFWSA-N 1 3 379.427 -0.507 20 0 GBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420205440 1072268506 /nfs/dbraw/zinc/26/85/06/1072268506.db2.gz DJBSYHIDLLCYSX-ZDUSSCGKSA-N 1 3 379.427 -0.507 20 0 GBADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420205654 1072268637 /nfs/dbraw/zinc/26/86/37/1072268637.db2.gz RXBMSMKEZLPWAY-HNNXBMFYSA-N 1 3 384.427 -0.040 20 0 GBADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420205656 1072268449 /nfs/dbraw/zinc/26/84/49/1072268449.db2.gz RXBMSMKEZLPWAY-OAHLLOKOSA-N 1 3 384.427 -0.040 20 0 GBADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420206661 1072269163 /nfs/dbraw/zinc/26/91/63/1072269163.db2.gz SWHGDTPRUUUNML-MSOLQXFVSA-N 1 3 389.500 -0.001 20 0 GBADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420206662 1072268560 /nfs/dbraw/zinc/26/85/60/1072268560.db2.gz SWHGDTPRUUUNML-QZTJIDSGSA-N 1 3 389.500 -0.001 20 0 GBADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420206663 1072268883 /nfs/dbraw/zinc/26/88/83/1072268883.db2.gz SWHGDTPRUUUNML-ROUUACIJSA-N 1 3 389.500 -0.001 20 0 GBADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420206664 1072268758 /nfs/dbraw/zinc/26/87/58/1072268758.db2.gz SWHGDTPRUUUNML-ZWKOTPCHSA-N 1 3 389.500 -0.001 20 0 GBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420207214 1072269101 /nfs/dbraw/zinc/26/91/01/1072269101.db2.gz TUSCJWRHVDFQDT-BBWFWOEESA-N 1 3 381.521 -0.892 20 0 GBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420207214 1072269083 /nfs/dbraw/zinc/26/90/83/1072269083.db2.gz TUSCJWRHVDFQDT-BBWFWOEESA-N 1 3 381.521 -0.892 20 0 GBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420207215 1072268832 /nfs/dbraw/zinc/26/88/32/1072268832.db2.gz TUSCJWRHVDFQDT-BRWVUGGUSA-N 1 3 381.521 -0.892 20 0 GBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420207216 1072268731 /nfs/dbraw/zinc/26/87/31/1072268731.db2.gz TUSCJWRHVDFQDT-IXDOHACOSA-N 1 3 381.521 -0.892 20 0 GBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420207216 1072268721 /nfs/dbraw/zinc/26/87/21/1072268721.db2.gz TUSCJWRHVDFQDT-IXDOHACOSA-N 1 3 381.521 -0.892 20 0 GBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420207217 1072268795 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JOZJBPNUGUSOAR-AWEZNQCLSA-N 1 3 395.470 -0.015 20 0 GBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420214026 1072276592 /nfs/dbraw/zinc/27/65/92/1072276592.db2.gz JOZJBPNUGUSOAR-CQSZACIVSA-N 1 3 395.470 -0.015 20 0 GBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215716 1072277486 /nfs/dbraw/zinc/27/74/86/1072277486.db2.gz LJAQUFVHUWVOBN-KBPBESRZSA-N 1 3 393.454 -0.120 20 0 GBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215718 1072277548 /nfs/dbraw/zinc/27/75/48/1072277548.db2.gz LJAQUFVHUWVOBN-KGLIPLIRSA-N 1 3 393.454 -0.120 20 0 GBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215720 1072277603 /nfs/dbraw/zinc/27/76/03/1072277603.db2.gz LJAQUFVHUWVOBN-UONOGXRCSA-N 1 3 393.454 -0.120 20 0 GBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215722 1072277819 /nfs/dbraw/zinc/27/78/19/1072277819.db2.gz LJAQUFVHUWVOBN-ZIAGYGMSSA-N 1 3 393.454 -0.120 20 0 GBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217711 1072277512 /nfs/dbraw/zinc/27/75/12/1072277512.db2.gz NAOBJLLOBBNTKY-CHWSQXEVSA-N 1 3 379.427 -0.461 20 0 GBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217713 1072278696 /nfs/dbraw/zinc/27/86/96/1072278696.db2.gz NAOBJLLOBBNTKY-OLZOCXBDSA-N 1 3 379.427 -0.461 20 0 GBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217715 1072278433 /nfs/dbraw/zinc/27/84/33/1072278433.db2.gz NAOBJLLOBBNTKY-QWHCGFSZSA-N 1 3 379.427 -0.461 20 0 GBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217717 1072278359 /nfs/dbraw/zinc/27/83/59/1072278359.db2.gz NAOBJLLOBBNTKY-STQMWFEESA-N 1 3 379.427 -0.461 20 0 GBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224232 1072273296 /nfs/dbraw/zinc/27/32/96/1072273296.db2.gz WTIXOWTWKHQUEU-CYBMUJFWSA-N 1 3 381.443 -0.263 20 0 GBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224235 1072273757 /nfs/dbraw/zinc/27/37/57/1072273757.db2.gz WTIXOWTWKHQUEU-ZDUSSCGKSA-N 1 3 381.443 -0.263 20 0 GBADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000422111501 1072353598 /nfs/dbraw/zinc/35/35/98/1072353598.db2.gz DFJZBWNUOGUFGK-INIZCTEOSA-N 1 3 379.505 -0.694 20 0 GBADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000422111501 1072353583 /nfs/dbraw/zinc/35/35/83/1072353583.db2.gz DFJZBWNUOGUFGK-INIZCTEOSA-N 1 3 379.505 -0.694 20 0 GBADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000422111503 1072353091 /nfs/dbraw/zinc/35/30/91/1072353091.db2.gz DFJZBWNUOGUFGK-MRXNPFEDSA-N 1 3 379.505 -0.694 20 0 GBADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000422111503 1072353083 /nfs/dbraw/zinc/35/30/83/1072353083.db2.gz DFJZBWNUOGUFGK-MRXNPFEDSA-N 1 3 379.505 -0.694 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422111825 1072353161 /nfs/dbraw/zinc/35/31/61/1072353161.db2.gz DOMYUSKGSHJSGG-INIZCTEOSA-N 1 3 381.521 -0.448 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422111825 1072353156 /nfs/dbraw/zinc/35/31/56/1072353156.db2.gz DOMYUSKGSHJSGG-INIZCTEOSA-N 1 3 381.521 -0.448 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422111828 1072353286 /nfs/dbraw/zinc/35/32/86/1072353286.db2.gz DOMYUSKGSHJSGG-MRXNPFEDSA-N 1 3 381.521 -0.448 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422111828 1072353277 /nfs/dbraw/zinc/35/32/77/1072353277.db2.gz DOMYUSKGSHJSGG-MRXNPFEDSA-N 1 3 381.521 -0.448 20 0 GBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280450 1072434887 /nfs/dbraw/zinc/43/48/87/1072434887.db2.gz HLFVIYWUGBMQDU-CVEARBPZSA-N 1 3 381.521 -0.369 20 0 GBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280450 1072434885 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FNTFWCSQOFDDBN-IAGOWNOFSA-N 1 3 395.548 -0.107 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422291039 1072436948 /nfs/dbraw/zinc/43/69/48/1072436948.db2.gz FNTFWCSQOFDDBN-IRXDYDNUSA-N 1 3 395.548 -0.107 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422291039 1072436946 /nfs/dbraw/zinc/43/69/46/1072436946.db2.gz FNTFWCSQOFDDBN-IRXDYDNUSA-N 1 3 395.548 -0.107 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422291040 1072436848 /nfs/dbraw/zinc/43/68/48/1072436848.db2.gz FNTFWCSQOFDDBN-SJORKVTESA-N 1 3 395.548 -0.107 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422291040 1072436846 /nfs/dbraw/zinc/43/68/46/1072436846.db2.gz FNTFWCSQOFDDBN-SJORKVTESA-N 1 3 395.548 -0.107 20 0 GBADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302773 1072437598 /nfs/dbraw/zinc/43/75/98/1072437598.db2.gz WTTUVSFGLASQCA-DLBZAZTESA-N 1 3 395.548 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CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302784 1072438998 /nfs/dbraw/zinc/43/89/98/1072438998.db2.gz WTTUVSFGLASQCA-SJORKVTESA-N 1 3 395.548 -0.014 20 0 GBADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302784 1072438995 /nfs/dbraw/zinc/43/89/95/1072438995.db2.gz WTTUVSFGLASQCA-SJORKVTESA-N 1 3 395.548 -0.014 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000422452573 1072451416 /nfs/dbraw/zinc/45/14/16/1072451416.db2.gz GOGSMCOUPDAOGP-KRWDZBQOSA-N 1 3 393.532 -0.258 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000422452573 1072451412 /nfs/dbraw/zinc/45/14/12/1072451412.db2.gz GOGSMCOUPDAOGP-KRWDZBQOSA-N 1 3 393.532 -0.258 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000422452576 1072451435 /nfs/dbraw/zinc/45/14/35/1072451435.db2.gz GOGSMCOUPDAOGP-QGZVFWFLSA-N 1 3 393.532 -0.258 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000422452576 1072451432 /nfs/dbraw/zinc/45/14/32/1072451432.db2.gz GOGSMCOUPDAOGP-QGZVFWFLSA-N 1 3 393.532 -0.258 20 0 GBADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000422459319 1072453969 /nfs/dbraw/zinc/45/39/69/1072453969.db2.gz YKQJGTDUAAFSCG-UHFFFAOYSA-N 1 3 393.532 -0.256 20 0 GBADHO C[N@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000422459319 1072453964 /nfs/dbraw/zinc/45/39/64/1072453964.db2.gz YKQJGTDUAAFSCG-UHFFFAOYSA-N 1 3 393.532 -0.256 20 0 GBADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000422494038 1072455713 /nfs/dbraw/zinc/45/57/13/1072455713.db2.gz QRRNJIIXLCHOLW-KRWDZBQOSA-N 1 3 393.532 -0.399 20 0 GBADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000422494038 1072455711 /nfs/dbraw/zinc/45/57/11/1072455711.db2.gz QRRNJIIXLCHOLW-KRWDZBQOSA-N 1 3 393.532 -0.399 20 0 GBADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000422494039 1072455773 /nfs/dbraw/zinc/45/57/73/1072455773.db2.gz QRRNJIIXLCHOLW-QGZVFWFLSA-N 1 3 393.532 -0.399 20 0 GBADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000422494039 1072455768 /nfs/dbraw/zinc/45/57/68/1072455768.db2.gz QRRNJIIXLCHOLW-QGZVFWFLSA-N 1 3 393.532 -0.399 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496310 1072455877 /nfs/dbraw/zinc/45/58/77/1072455877.db2.gz TVWJLIDCIDATRA-DLBZAZTESA-N 1 3 393.532 -0.401 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422496310 1072455873 /nfs/dbraw/zinc/45/58/73/1072455873.db2.gz TVWJLIDCIDATRA-DLBZAZTESA-N 1 3 393.532 -0.401 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496311 1072455856 /nfs/dbraw/zinc/45/58/56/1072455856.db2.gz TVWJLIDCIDATRA-IAGOWNOFSA-N 1 3 393.532 -0.401 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422496311 1072455855 /nfs/dbraw/zinc/45/58/55/1072455855.db2.gz TVWJLIDCIDATRA-IAGOWNOFSA-N 1 3 393.532 -0.401 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496312 1072455972 /nfs/dbraw/zinc/45/59/72/1072455972.db2.gz TVWJLIDCIDATRA-IRXDYDNUSA-N 1 3 393.532 -0.401 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422496312 1072455971 /nfs/dbraw/zinc/45/59/71/1072455971.db2.gz TVWJLIDCIDATRA-IRXDYDNUSA-N 1 3 393.532 -0.401 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496313 1072455418 /nfs/dbraw/zinc/45/54/18/1072455418.db2.gz TVWJLIDCIDATRA-SJORKVTESA-N 1 3 393.532 -0.401 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422496313 1072455411 /nfs/dbraw/zinc/45/54/11/1072455411.db2.gz TVWJLIDCIDATRA-SJORKVTESA-N 1 3 393.532 -0.401 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496965 1072455746 /nfs/dbraw/zinc/45/57/46/1072455746.db2.gz UTPSXRFUSJKCHR-KRWDZBQOSA-N 1 3 395.548 -0.153 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422496965 1072455741 /nfs/dbraw/zinc/45/57/41/1072455741.db2.gz UTPSXRFUSJKCHR-KRWDZBQOSA-N 1 3 395.548 -0.153 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496966 1072455835 /nfs/dbraw/zinc/45/58/35/1072455835.db2.gz UTPSXRFUSJKCHR-QGZVFWFLSA-N 1 3 395.548 -0.153 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422496966 1072455833 /nfs/dbraw/zinc/45/58/33/1072455833.db2.gz UTPSXRFUSJKCHR-QGZVFWFLSA-N 1 3 395.548 -0.153 20 0 GBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422502020 1072462230 /nfs/dbraw/zinc/46/22/30/1072462230.db2.gz IQYUIRNMRUSTBX-UHFFFAOYSA-N 1 3 395.548 -0.547 20 0 GBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503186 1072458208 /nfs/dbraw/zinc/45/82/08/1072458208.db2.gz MIXIVYMHBMQPPU-UHFFFAOYSA-N 1 3 395.548 -0.548 20 0 GBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504242 1072457910 /nfs/dbraw/zinc/45/79/10/1072457910.db2.gz PTEURJWOEBQEIE-KRWDZBQOSA-N 1 3 395.548 -0.500 20 0 GBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504243 1072458171 /nfs/dbraw/zinc/45/81/71/1072458171.db2.gz PTEURJWOEBQEIE-QGZVFWFLSA-N 1 3 395.548 -0.500 20 0 GBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422506038 1072458815 /nfs/dbraw/zinc/45/88/15/1072458815.db2.gz VDOGAJXCRWRZAQ-UHFFFAOYSA-N 1 3 397.564 -0.302 20 0 GBADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000422626099 1072468846 /nfs/dbraw/zinc/46/88/46/1072468846.db2.gz IUGDLYXYUUYSPH-UHFFFAOYSA-N 1 3 393.532 -0.258 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422629951 1072469322 /nfs/dbraw/zinc/46/93/22/1072469322.db2.gz YDCCGOQMKJOULR-UHFFFAOYSA-N 1 3 395.548 -0.012 20 0 GBADHO C[C@@H](C[C@@H]1COCC[NH2+]1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422715070 1072471576 /nfs/dbraw/zinc/47/15/76/1072471576.db2.gz RSPMKPOCIZUDFV-DLBZAZTESA-N 1 3 397.545 -0.110 20 0 GBADHO C[C@H](C[C@@H]1COCC[NH2+]1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422715072 1072471467 /nfs/dbraw/zinc/47/14/67/1072471467.db2.gz RSPMKPOCIZUDFV-IAGOWNOFSA-N 1 3 397.545 -0.110 20 0 GBADHO C[C@@H](C[C@H]1COCC[NH2+]1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422715073 1072471475 /nfs/dbraw/zinc/47/14/75/1072471475.db2.gz RSPMKPOCIZUDFV-IRXDYDNUSA-N 1 3 397.545 -0.110 20 0 GBADHO C[C@H](C[C@H]1COCC[NH2+]1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422715075 1072471640 /nfs/dbraw/zinc/47/16/40/1072471640.db2.gz RSPMKPOCIZUDFV-SJORKVTESA-N 1 3 397.545 -0.110 20 0 GBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976573 1072483504 /nfs/dbraw/zinc/48/35/04/1072483504.db2.gz VIESNSLCBGNCBF-CHWSQXEVSA-N 1 3 379.427 -0.509 20 0 GBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976574 1072483606 /nfs/dbraw/zinc/48/36/06/1072483606.db2.gz VIESNSLCBGNCBF-OLZOCXBDSA-N 1 3 379.427 -0.509 20 0 GBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976575 1072483627 /nfs/dbraw/zinc/48/36/27/1072483627.db2.gz VIESNSLCBGNCBF-QWHCGFSZSA-N 1 3 379.427 -0.509 20 0 GBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976576 1072483588 /nfs/dbraw/zinc/48/35/88/1072483588.db2.gz VIESNSLCBGNCBF-STQMWFEESA-N 1 3 379.427 -0.509 20 0 GBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000423160800 1072501067 /nfs/dbraw/zinc/50/10/67/1072501067.db2.gz HWJAHVPXSTVHPY-KRWDZBQOSA-N 1 3 391.516 -0.016 20 0 GBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000423160802 1072501037 /nfs/dbraw/zinc/50/10/37/1072501037.db2.gz HWJAHVPXSTVHPY-QGZVFWFLSA-N 1 3 391.516 -0.016 20 0 GBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000423163015 1072502392 /nfs/dbraw/zinc/50/23/92/1072502392.db2.gz MCDAEAGRWBXUCL-KRWDZBQOSA-N 1 3 391.516 -0.016 20 0 GBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000423163016 1072502215 /nfs/dbraw/zinc/50/22/15/1072502215.db2.gz MCDAEAGRWBXUCL-QGZVFWFLSA-N 1 3 391.516 -0.016 20 0 GBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423172814 1072501733 /nfs/dbraw/zinc/50/17/33/1072501733.db2.gz VKLSFQXPQGBOAO-DLBZAZTESA-N 1 3 393.532 -0.223 20 0 GBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423172815 1072502073 /nfs/dbraw/zinc/50/20/73/1072502073.db2.gz VKLSFQXPQGBOAO-IAGOWNOFSA-N 1 3 393.532 -0.223 20 0 GBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423172816 1072501924 /nfs/dbraw/zinc/50/19/24/1072501924.db2.gz VKLSFQXPQGBOAO-IRXDYDNUSA-N 1 3 393.532 -0.223 20 0 GBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423172817 1072502048 /nfs/dbraw/zinc/50/20/48/1072502048.db2.gz VKLSFQXPQGBOAO-SJORKVTESA-N 1 3 393.532 -0.223 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423210983 1072503414 /nfs/dbraw/zinc/50/34/14/1072503414.db2.gz KJRBGROAIRBCFR-DLBZAZTESA-N 1 3 396.532 -0.231 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423210984 1072503361 /nfs/dbraw/zinc/50/33/61/1072503361.db2.gz KJRBGROAIRBCFR-IAGOWNOFSA-N 1 3 396.532 -0.231 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423210985 1072502844 /nfs/dbraw/zinc/50/28/44/1072502844.db2.gz KJRBGROAIRBCFR-IRXDYDNUSA-N 1 3 396.532 -0.231 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423210986 1072502867 /nfs/dbraw/zinc/50/28/67/1072502867.db2.gz KJRBGROAIRBCFR-SJORKVTESA-N 1 3 396.532 -0.231 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423212398 1072502902 /nfs/dbraw/zinc/50/29/02/1072502902.db2.gz LRTWMXWYJLDCBF-DLBZAZTESA-N 1 3 381.521 -0.938 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423212399 1072503492 /nfs/dbraw/zinc/50/34/92/1072503492.db2.gz LRTWMXWYJLDCBF-IAGOWNOFSA-N 1 3 381.521 -0.938 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423212400 1072503276 /nfs/dbraw/zinc/50/32/76/1072503276.db2.gz LRTWMXWYJLDCBF-IRXDYDNUSA-N 1 3 381.521 -0.938 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423212401 1072503080 /nfs/dbraw/zinc/50/30/80/1072503080.db2.gz LRTWMXWYJLDCBF-SJORKVTESA-N 1 3 381.521 -0.938 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423214736 1072505765 /nfs/dbraw/zinc/50/57/65/1072505765.db2.gz PJTVKFRVULKXSN-KSZLIROESA-N 1 3 396.532 -0.090 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423214741 1072506277 /nfs/dbraw/zinc/50/62/77/1072506277.db2.gz PJTVKFRVULKXSN-KURKYZTESA-N 1 3 396.532 -0.090 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423214791 1072505958 /nfs/dbraw/zinc/50/59/58/1072505958.db2.gz PNEFSUQZKBPEAQ-DLBZAZTESA-N 1 3 381.521 -0.938 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423214793 1072505615 /nfs/dbraw/zinc/50/56/15/1072505615.db2.gz PNEFSUQZKBPEAQ-IAGOWNOFSA-N 1 3 381.521 -0.938 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423214795 1072506295 /nfs/dbraw/zinc/50/62/95/1072506295.db2.gz PNEFSUQZKBPEAQ-IRXDYDNUSA-N 1 3 381.521 -0.938 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423214797 1072506172 /nfs/dbraw/zinc/50/61/72/1072506172.db2.gz PNEFSUQZKBPEAQ-SJORKVTESA-N 1 3 381.521 -0.938 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423239602 1072505685 /nfs/dbraw/zinc/50/56/85/1072505685.db2.gz BKTNRCXMRATYIR-CVEARBPZSA-N 1 3 379.505 -0.933 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423239603 1072506095 /nfs/dbraw/zinc/50/60/95/1072506095.db2.gz BKTNRCXMRATYIR-HOTGVXAUSA-N 1 3 379.505 -0.933 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423239604 1072505734 /nfs/dbraw/zinc/50/57/34/1072505734.db2.gz BKTNRCXMRATYIR-HZPDHXFCSA-N 1 3 379.505 -0.933 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423239605 1072505817 /nfs/dbraw/zinc/50/58/17/1072505817.db2.gz BKTNRCXMRATYIR-JKSUJKDBSA-N 1 3 379.505 -0.933 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423241140 1072508949 /nfs/dbraw/zinc/50/89/49/1072508949.db2.gz DDUBQGXPQUGLFV-DNVCBOLYSA-N 1 3 379.505 -0.804 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000423242301 1072508387 /nfs/dbraw/zinc/50/83/87/1072508387.db2.gz FGAWOJLMAZUYSM-UHFFFAOYSA-N 1 3 395.548 -0.153 20 0 GBADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000423243026 1072508885 /nfs/dbraw/zinc/50/88/85/1072508885.db2.gz GBZDFGYNXRUTDU-UHFFFAOYSA-N 1 3 393.532 -0.399 20 0 GBADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000423243513 1072508610 /nfs/dbraw/zinc/50/86/10/1072508610.db2.gz GIUNMTDCFPZEND-UHFFFAOYSA-N 1 3 379.505 -0.789 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000423243993 1072509387 /nfs/dbraw/zinc/50/93/87/1072509387.db2.gz HDKOSQSRDIUUGI-INIZCTEOSA-N 1 3 381.521 -0.543 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000423243994 1072509341 /nfs/dbraw/zinc/50/93/41/1072509341.db2.gz HDKOSQSRDIUUGI-MRXNPFEDSA-N 1 3 381.521 -0.543 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC1 ZINC000423245000 1072509739 /nfs/dbraw/zinc/50/97/39/1072509739.db2.gz IINFWIUKJZXZSG-UHFFFAOYSA-N 1 3 381.521 -0.543 20 0 GBADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423247242 1072509375 /nfs/dbraw/zinc/50/93/75/1072509375.db2.gz KVZJYUKYKSHBSH-INIZCTEOSA-N 1 3 379.505 -0.660 20 0 GBADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423247243 1072509459 /nfs/dbraw/zinc/50/94/59/1072509459.db2.gz KVZJYUKYKSHBSH-MRXNPFEDSA-N 1 3 379.505 -0.660 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423247278 1072509372 /nfs/dbraw/zinc/50/93/72/1072509372.db2.gz KZCVZGSYAPHZMG-IBGZPJMESA-N 1 3 379.505 -0.789 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423247279 1072510187 /nfs/dbraw/zinc/51/01/87/1072510187.db2.gz KZCVZGSYAPHZMG-LJQANCHMSA-N 1 3 379.505 -0.789 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423247288 1072509900 /nfs/dbraw/zinc/50/99/00/1072509900.db2.gz LADUNODQCBAKFH-CVEARBPZSA-N 1 3 379.505 -0.933 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423247289 1072509384 /nfs/dbraw/zinc/50/93/84/1072509384.db2.gz LADUNODQCBAKFH-HOTGVXAUSA-N 1 3 379.505 -0.933 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423247290 1072510093 /nfs/dbraw/zinc/51/00/93/1072510093.db2.gz LADUNODQCBAKFH-HZPDHXFCSA-N 1 3 379.505 -0.933 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423247291 1072509779 /nfs/dbraw/zinc/50/97/79/1072509779.db2.gz LADUNODQCBAKFH-JKSUJKDBSA-N 1 3 379.505 -0.933 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000423249656 1072509764 /nfs/dbraw/zinc/50/97/64/1072509764.db2.gz PELNWESYOVGOON-HNNXBMFYSA-N 1 3 381.521 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000423249657 1072509803 /nfs/dbraw/zinc/50/98/03/1072509803.db2.gz PELNWESYOVGOON-OAHLLOKOSA-N 1 3 381.521 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423250021 1072509429 /nfs/dbraw/zinc/50/94/29/1072509429.db2.gz PUZRVXHSVZHUDO-UHFFFAOYSA-N 1 3 393.532 -0.399 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423251687 1072509392 /nfs/dbraw/zinc/50/93/92/1072509392.db2.gz SKNRLJKSYOQTMS-DNVCBOLYSA-N 1 3 381.521 -0.558 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423252097 1072509865 /nfs/dbraw/zinc/50/98/65/1072509865.db2.gz TWMOTCCBCSFHML-CVEARBPZSA-N 1 3 381.521 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423252098 1072510142 /nfs/dbraw/zinc/51/01/42/1072510142.db2.gz TWMOTCCBCSFHML-HOTGVXAUSA-N 1 3 381.521 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423252099 1072509327 /nfs/dbraw/zinc/50/93/27/1072509327.db2.gz TWMOTCCBCSFHML-HZPDHXFCSA-N 1 3 381.521 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423252100 1072509879 /nfs/dbraw/zinc/50/98/79/1072509879.db2.gz TWMOTCCBCSFHML-JKSUJKDBSA-N 1 3 381.521 -0.415 20 0 GBADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC000423252397 1072509821 /nfs/dbraw/zinc/50/98/21/1072509821.db2.gz UDYILAVBCZQPMR-UHFFFAOYSA-N 1 3 395.548 -0.153 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423252879 1072511202 /nfs/dbraw/zinc/51/12/02/1072511202.db2.gz VADNRPNPWGAGFO-BBWFWOEESA-N 1 3 393.532 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423252880 1072510753 /nfs/dbraw/zinc/51/07/53/1072510753.db2.gz VADNRPNPWGAGFO-GVDBMIGSSA-N 1 3 393.532 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423252881 1072510733 /nfs/dbraw/zinc/51/07/33/1072510733.db2.gz VADNRPNPWGAGFO-ULQDDVLXSA-N 1 3 393.532 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423252882 1072510977 /nfs/dbraw/zinc/51/09/77/1072510977.db2.gz VADNRPNPWGAGFO-YESZJQIVSA-N 1 3 393.532 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423253112 1072509751 /nfs/dbraw/zinc/50/97/51/1072509751.db2.gz VDGWYUFOIVPWEN-INIZCTEOSA-N 1 3 381.521 -0.414 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423253113 1072510206 /nfs/dbraw/zinc/51/02/06/1072510206.db2.gz VDGWYUFOIVPWEN-MRXNPFEDSA-N 1 3 381.521 -0.414 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423253124 1072509445 /nfs/dbraw/zinc/50/94/45/1072509445.db2.gz VFQKMOHMGBWTGF-CVEARBPZSA-N 1 3 379.505 -0.791 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423253125 1072509727 /nfs/dbraw/zinc/50/97/27/1072509727.db2.gz VFQKMOHMGBWTGF-HOTGVXAUSA-N 1 3 379.505 -0.791 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423253126 1072510565 /nfs/dbraw/zinc/51/05/65/1072510565.db2.gz VFQKMOHMGBWTGF-HZPDHXFCSA-N 1 3 379.505 -0.791 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423253127 1072511183 /nfs/dbraw/zinc/51/11/83/1072511183.db2.gz VFQKMOHMGBWTGF-JKSUJKDBSA-N 1 3 379.505 -0.791 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423253290 1072509846 /nfs/dbraw/zinc/50/98/46/1072509846.db2.gz VRPABXZYFMJUAK-CVEARBPZSA-N 1 3 381.521 -0.558 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423253292 1072509928 /nfs/dbraw/zinc/50/99/28/1072509928.db2.gz VRPABXZYFMJUAK-HOTGVXAUSA-N 1 3 381.521 -0.558 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423253293 1072509509 /nfs/dbraw/zinc/50/95/09/1072509509.db2.gz VRPABXZYFMJUAK-HZPDHXFCSA-N 1 3 381.521 -0.558 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423253295 1072509631 /nfs/dbraw/zinc/50/96/31/1072509631.db2.gz VRPABXZYFMJUAK-JKSUJKDBSA-N 1 3 381.521 -0.558 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423254079 1072511141 /nfs/dbraw/zinc/51/11/41/1072511141.db2.gz WZWHVINFJNJWQJ-FQEVSTJZSA-N 1 3 393.532 -0.399 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423254080 1072510431 /nfs/dbraw/zinc/51/04/31/1072510431.db2.gz WZWHVINFJNJWQJ-HXUWFJFHSA-N 1 3 393.532 -0.399 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423254147 1072510641 /nfs/dbraw/zinc/51/06/41/1072510641.db2.gz XHCRTGHTYIDOGS-UHFFFAOYSA-N 1 3 391.516 -0.645 20 0 GBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423254176 1072510541 /nfs/dbraw/zinc/51/05/41/1072510541.db2.gz XKTKQZINJCBPNZ-INIZCTEOSA-N 1 3 381.521 -0.415 20 0 GBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423254177 1072510902 /nfs/dbraw/zinc/51/09/02/1072510902.db2.gz XKTKQZINJCBPNZ-MRXNPFEDSA-N 1 3 381.521 -0.415 20 0 GBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423254447 1072510454 /nfs/dbraw/zinc/51/04/54/1072510454.db2.gz YCHPOASNWACWRD-INIZCTEOSA-N 1 3 379.505 -0.789 20 0 GBADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423254448 1072511096 /nfs/dbraw/zinc/51/10/96/1072511096.db2.gz YCHPOASNWACWRD-MRXNPFEDSA-N 1 3 379.505 -0.789 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000423254621 1072511245 /nfs/dbraw/zinc/51/12/45/1072511245.db2.gz YUJWHSZZDFSCBA-INIZCTEOSA-N 1 3 383.537 -0.169 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423254622 1072511258 /nfs/dbraw/zinc/51/12/58/1072511258.db2.gz YUJWHSZZDFSCBA-MRXNPFEDSA-N 1 3 383.537 -0.169 20 0 GBADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000423254655 1072510685 /nfs/dbraw/zinc/51/06/85/1072510685.db2.gz ZARGPBMYLQDNJQ-UHFFFAOYSA-N 1 3 393.532 -0.399 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423254933 1072510890 /nfs/dbraw/zinc/51/08/90/1072510890.db2.gz ZZLKTZGLIZMCJX-UHFFFAOYSA-N 1 3 393.532 -0.399 20 0 GBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000423255465 1072511065 /nfs/dbraw/zinc/51/10/65/1072511065.db2.gz AEQLGYLNMQFRPX-CVEARBPZSA-N 1 3 379.505 -0.613 20 0 GBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000423255466 1072511120 /nfs/dbraw/zinc/51/11/20/1072511120.db2.gz AEQLGYLNMQFRPX-HOTGVXAUSA-N 1 3 379.505 -0.613 20 0 GBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000423255467 1072511158 /nfs/dbraw/zinc/51/11/58/1072511158.db2.gz AEQLGYLNMQFRPX-HZPDHXFCSA-N 1 3 379.505 -0.613 20 0 GBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000423255468 1072510816 /nfs/dbraw/zinc/51/08/16/1072510816.db2.gz AEQLGYLNMQFRPX-JKSUJKDBSA-N 1 3 379.505 -0.613 20 0 GBADHO CN(CCN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1)Cc1ccccc1 ZINC000423261580 1072512722 /nfs/dbraw/zinc/51/27/22/1072512722.db2.gz KFNVALKHKJTRAL-BGYRXZFFSA-N 1 3 399.539 -0.060 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423261713 1072512444 /nfs/dbraw/zinc/51/24/44/1072512444.db2.gz KPJYUJSKGHQJKL-DLBZAZTESA-N 1 3 384.521 -0.232 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423261716 1072512669 /nfs/dbraw/zinc/51/26/69/1072512669.db2.gz KPJYUJSKGHQJKL-IAGOWNOFSA-N 1 3 384.521 -0.232 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423261717 1072512641 /nfs/dbraw/zinc/51/26/41/1072512641.db2.gz KPJYUJSKGHQJKL-IRXDYDNUSA-N 1 3 384.521 -0.232 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423261718 1072512589 /nfs/dbraw/zinc/51/25/89/1072512589.db2.gz KPJYUJSKGHQJKL-SJORKVTESA-N 1 3 384.521 -0.232 20 0 GBADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000423263808 1072996940 /nfs/dbraw/zinc/99/69/40/1072996940.db2.gz OZUMUXRMOKBLTO-UHFFFAOYSA-N 1 3 375.517 -0.060 20 0 GBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423360949 1072519005 /nfs/dbraw/zinc/51/90/05/1072519005.db2.gz GHQOTWKCMDEUHQ-INIZCTEOSA-N 1 3 377.489 -0.324 20 0 GBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423360955 1072518930 /nfs/dbraw/zinc/51/89/30/1072518930.db2.gz GHQOTWKCMDEUHQ-MRXNPFEDSA-N 1 3 377.489 -0.324 20 0 GBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423361046 1072518914 /nfs/dbraw/zinc/51/89/14/1072518914.db2.gz GNCHGMOCJSLTJM-HNNXBMFYSA-N 1 3 393.488 -0.517 20 0 GBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423361047 1072519112 /nfs/dbraw/zinc/51/91/12/1072519112.db2.gz GNCHGMOCJSLTJM-OAHLLOKOSA-N 1 3 393.488 -0.517 20 0 GBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423366979 1072519038 /nfs/dbraw/zinc/51/90/38/1072519038.db2.gz MCQJXVMVKAMXJR-INIZCTEOSA-N 1 3 377.489 -0.324 20 0 GBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423366980 1072519170 /nfs/dbraw/zinc/51/91/70/1072519170.db2.gz MCQJXVMVKAMXJR-MRXNPFEDSA-N 1 3 377.489 -0.324 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423371198 1072516938 /nfs/dbraw/zinc/51/69/38/1072516938.db2.gz FCRXEVDSFFWCFV-AWEZNQCLSA-N 1 3 377.445 -0.685 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423371199 1072516878 /nfs/dbraw/zinc/51/68/78/1072516878.db2.gz FCRXEVDSFFWCFV-CQSZACIVSA-N 1 3 377.445 -0.685 20 0 GBADHO C[C@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423458418 1072526219 /nfs/dbraw/zinc/52/62/19/1072526219.db2.gz JVFGFQGOYWTQOR-HOTGVXAUSA-N 1 3 382.505 -0.465 20 0 GBADHO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000423458419 1072525844 /nfs/dbraw/zinc/52/58/44/1072525844.db2.gz JVFGFQGOYWTQOR-HZPDHXFCSA-N 1 3 382.505 -0.465 20 0 GBADHO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423458420 1072526246 /nfs/dbraw/zinc/52/62/46/1072526246.db2.gz JVFGFQGOYWTQOR-IYBDPMFKSA-N 1 3 382.505 -0.465 20 0 GBADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000423478164 1072526634 /nfs/dbraw/zinc/52/66/34/1072526634.db2.gz MNRHICMYDDJOEZ-KRWDZBQOSA-N 1 3 378.473 -0.229 20 0 GBADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000423478166 1072527104 /nfs/dbraw/zinc/52/71/04/1072527104.db2.gz MNRHICMYDDJOEZ-QGZVFWFLSA-N 1 3 378.473 -0.229 20 0 GBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000423485564 1072528483 /nfs/dbraw/zinc/52/84/83/1072528483.db2.gz AWYAMBYQJMYZSO-CVEARBPZSA-N 1 3 381.521 -0.417 20 0 GBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000423485565 1072529014 /nfs/dbraw/zinc/52/90/14/1072529014.db2.gz AWYAMBYQJMYZSO-HOTGVXAUSA-N 1 3 381.521 -0.417 20 0 GBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000423486066 1072528771 /nfs/dbraw/zinc/52/87/71/1072528771.db2.gz AWYAMBYQJMYZSO-HZPDHXFCSA-N 1 3 381.521 -0.417 20 0 GBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000423486067 1072528953 /nfs/dbraw/zinc/52/89/53/1072528953.db2.gz AWYAMBYQJMYZSO-JKSUJKDBSA-N 1 3 381.521 -0.417 20 0 GBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423497579 1072530178 /nfs/dbraw/zinc/53/01/78/1072530178.db2.gz GZSIDHKGOPVZCQ-JFIYKMOQSA-N 1 3 396.532 -0.090 20 0 GBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423497580 1072529753 /nfs/dbraw/zinc/52/97/53/1072529753.db2.gz GZSIDHKGOPVZCQ-JZXOWHBKSA-N 1 3 396.532 -0.090 20 0 GBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423497581 1072529569 /nfs/dbraw/zinc/52/95/69/1072529569.db2.gz GZSIDHKGOPVZCQ-NUJGCVRESA-N 1 3 396.532 -0.090 20 0 GBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423497582 1072530010 /nfs/dbraw/zinc/53/00/10/1072530010.db2.gz GZSIDHKGOPVZCQ-SOLBZPMBSA-N 1 3 396.532 -0.090 20 0 GBADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000423509835 1072527502 /nfs/dbraw/zinc/52/75/02/1072527502.db2.gz JLQQNGAIIDGLAS-KRWDZBQOSA-N 1 3 393.532 -0.401 20 0 GBADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000423509836 1072527447 /nfs/dbraw/zinc/52/74/47/1072527447.db2.gz JLQQNGAIIDGLAS-QGZVFWFLSA-N 1 3 393.532 -0.401 20 0 GBADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000423511210 1072529672 /nfs/dbraw/zinc/52/96/72/1072529672.db2.gz KBAVHVZFICCJEH-KRWDZBQOSA-N 1 3 393.532 -0.401 20 0 GBADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000423511211 1072529506 /nfs/dbraw/zinc/52/95/06/1072529506.db2.gz KBAVHVZFICCJEH-QGZVFWFLSA-N 1 3 393.532 -0.401 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@@]1(C)C[NH3+] ZINC000423514691 1072529702 /nfs/dbraw/zinc/52/97/02/1072529702.db2.gz MJCSMVVMEUJQGP-SPYBWZPUSA-N 1 3 379.505 -0.805 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@@]1(C)C[NH3+] ZINC000423514692 1072529955 /nfs/dbraw/zinc/52/99/55/1072529955.db2.gz MJCSMVVMEUJQGP-ZRGWGRIASA-N 1 3 379.505 -0.805 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423524244 1072530885 /nfs/dbraw/zinc/53/08/85/1072530885.db2.gz SXCKEUZHKCUXLQ-INIZCTEOSA-N 1 3 391.516 -0.647 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423524251 1072530978 /nfs/dbraw/zinc/53/09/78/1072530978.db2.gz SXCKEUZHKCUXLQ-MRXNPFEDSA-N 1 3 391.516 -0.647 20 0 GBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423548069 1072535667 /nfs/dbraw/zinc/53/56/67/1072535667.db2.gz GPAZSTYTOXNNLG-OAGGEKHMSA-N 1 3 379.505 -0.615 20 0 GBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423548070 1072535696 /nfs/dbraw/zinc/53/56/96/1072535696.db2.gz GPAZSTYTOXNNLG-XHSDSOJGSA-N 1 3 379.505 -0.615 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659005 1072555818 /nfs/dbraw/zinc/55/58/18/1072555818.db2.gz HHSUGCNZWPUVGE-CVEARBPZSA-N 1 3 379.505 -0.648 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423659007 1072555788 /nfs/dbraw/zinc/55/57/88/1072555788.db2.gz HHSUGCNZWPUVGE-HOTGVXAUSA-N 1 3 379.505 -0.648 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659009 1072555556 /nfs/dbraw/zinc/55/55/56/1072555556.db2.gz HHSUGCNZWPUVGE-HZPDHXFCSA-N 1 3 379.505 -0.648 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423659013 1072555939 /nfs/dbraw/zinc/55/59/39/1072555939.db2.gz HHSUGCNZWPUVGE-JKSUJKDBSA-N 1 3 379.505 -0.648 20 0 GBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423660590 1072555691 /nfs/dbraw/zinc/55/56/91/1072555691.db2.gz GHWXCXOMZAAYNC-DLBZAZTESA-N 1 3 393.532 -0.081 20 0 GBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423660591 1072556068 /nfs/dbraw/zinc/55/60/68/1072556068.db2.gz GHWXCXOMZAAYNC-IAGOWNOFSA-N 1 3 393.532 -0.081 20 0 GBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423660592 1072556089 /nfs/dbraw/zinc/55/60/89/1072556089.db2.gz GHWXCXOMZAAYNC-IRXDYDNUSA-N 1 3 393.532 -0.081 20 0 GBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423660593 1072556019 /nfs/dbraw/zinc/55/60/19/1072556019.db2.gz GHWXCXOMZAAYNC-SJORKVTESA-N 1 3 393.532 -0.081 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@H]1CC[NH2+]C1 ZINC000423660708 1072556566 /nfs/dbraw/zinc/55/65/66/1072556566.db2.gz KTNUJFIWSKVCJT-INIZCTEOSA-N 1 3 381.521 -0.401 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660709 1072556760 /nfs/dbraw/zinc/55/67/60/1072556760.db2.gz KTNUJFIWSKVCJT-MRXNPFEDSA-N 1 3 381.521 -0.401 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423662841 1072556662 /nfs/dbraw/zinc/55/66/62/1072556662.db2.gz FWEMJYCXGAWDPE-CABCVRRESA-N 1 3 391.472 -0.297 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423662843 1072556477 /nfs/dbraw/zinc/55/64/77/1072556477.db2.gz FWEMJYCXGAWDPE-GJZGRUSLSA-N 1 3 391.472 -0.297 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423662845 1072556972 /nfs/dbraw/zinc/55/69/72/1072556972.db2.gz FWEMJYCXGAWDPE-HUUCEWRRSA-N 1 3 391.472 -0.297 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423662846 1072556447 /nfs/dbraw/zinc/55/64/47/1072556447.db2.gz FWEMJYCXGAWDPE-LSDHHAIUSA-N 1 3 391.472 -0.297 20 0 GBADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)C[C@H](C)O1 ZINC000423665033 1072557251 /nfs/dbraw/zinc/55/72/51/1072557251.db2.gz GAOHBOBHZOLURU-LAQRGFTBSA-N 1 3 396.532 -0.485 20 0 GBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000423665038 1072557433 /nfs/dbraw/zinc/55/74/33/1072557433.db2.gz GAOHBOBHZOLURU-LMSBXDPUSA-N 1 3 396.532 -0.485 20 0 GBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)C[C@H](C)O1 ZINC000423665041 1072557380 /nfs/dbraw/zinc/55/73/80/1072557380.db2.gz GAOHBOBHZOLURU-MVJTYMMSSA-N 1 3 396.532 -0.485 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423668387 1072558290 /nfs/dbraw/zinc/55/82/90/1072558290.db2.gz VOHQDYUKQMKYKY-INIZCTEOSA-N 1 3 379.505 -0.647 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423668388 1072558056 /nfs/dbraw/zinc/55/80/56/1072558056.db2.gz VOHQDYUKQMKYKY-MRXNPFEDSA-N 1 3 379.505 -0.647 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000423676538 1072561931 /nfs/dbraw/zinc/56/19/31/1072561931.db2.gz JGOGBVISRBFUKM-CVEARBPZSA-N 1 3 381.521 -0.273 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423676540 1072562190 /nfs/dbraw/zinc/56/21/90/1072562190.db2.gz JGOGBVISRBFUKM-HOTGVXAUSA-N 1 3 381.521 -0.273 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000423676541 1072562111 /nfs/dbraw/zinc/56/21/11/1072562111.db2.gz JGOGBVISRBFUKM-HZPDHXFCSA-N 1 3 381.521 -0.273 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000423676542 1072562158 /nfs/dbraw/zinc/56/21/58/1072562158.db2.gz JGOGBVISRBFUKM-JKSUJKDBSA-N 1 3 381.521 -0.273 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423680411 1072562804 /nfs/dbraw/zinc/56/28/04/1072562804.db2.gz FEVFBRUJTPKUOH-CVEARBPZSA-N 1 3 379.505 -0.648 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000423695651 1072560050 /nfs/dbraw/zinc/56/00/50/1072560050.db2.gz IZOFPTBWVCBSIQ-UHFFFAOYSA-N 1 3 393.532 -0.256 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)C1CC[NH2+]CC1 ZINC000423697165 1072561012 /nfs/dbraw/zinc/56/10/12/1072561012.db2.gz KFBXSSFHXVXABH-UHFFFAOYSA-N 1 3 395.548 -0.010 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC[NH2+]CC1 ZINC000423705264 1072565760 /nfs/dbraw/zinc/56/57/60/1072565760.db2.gz OFEOIRXHYCHKCP-KRWDZBQOSA-N 1 3 393.532 -0.258 20 0 GBADHO CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC[NH2+]CC1 ZINC000423705265 1072565717 /nfs/dbraw/zinc/56/57/17/1072565717.db2.gz OFEOIRXHYCHKCP-QGZVFWFLSA-N 1 3 393.532 -0.258 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000423718921 1072568424 /nfs/dbraw/zinc/56/84/24/1072568424.db2.gz DNWXIGVIEHGRQT-UHFFFAOYSA-N 1 3 379.505 -0.647 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@@H]1C[NH3+] ZINC000423729522 1072569997 /nfs/dbraw/zinc/56/99/97/1072569997.db2.gz KKVIZOFMNXXBLG-BZUAXINKSA-N 1 3 379.505 -0.663 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@H]1C[NH3+] ZINC000423729524 1072570470 /nfs/dbraw/zinc/57/04/70/1072570470.db2.gz KKVIZOFMNXXBLG-OAGGEKHMSA-N 1 3 379.505 -0.663 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@@H]1C[NH3+] ZINC000423729526 1072569819 /nfs/dbraw/zinc/56/98/19/1072569819.db2.gz KKVIZOFMNXXBLG-OWCLPIDISA-N 1 3 379.505 -0.663 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@H]1C[NH3+] ZINC000423729529 1072570405 /nfs/dbraw/zinc/57/04/05/1072570405.db2.gz KKVIZOFMNXXBLG-PMPSAXMXSA-N 1 3 379.505 -0.663 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423732446 1072571327 /nfs/dbraw/zinc/57/13/27/1072571327.db2.gz MJYMUEXAEYWWNK-CVEARBPZSA-N 1 3 379.505 -0.661 20 0 GBADHO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423732449 1072571348 /nfs/dbraw/zinc/57/13/48/1072571348.db2.gz MJYMUEXAEYWWNK-HOTGVXAUSA-N 1 3 379.505 -0.661 20 0 GBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423732451 1072571548 /nfs/dbraw/zinc/57/15/48/1072571548.db2.gz MJYMUEXAEYWWNK-HZPDHXFCSA-N 1 3 379.505 -0.661 20 0 GBADHO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423732454 1072571656 /nfs/dbraw/zinc/57/16/56/1072571656.db2.gz MJYMUEXAEYWWNK-JKSUJKDBSA-N 1 3 379.505 -0.661 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423735247 1072574018 /nfs/dbraw/zinc/57/40/18/1072574018.db2.gz OZUAPOBGMFCDJW-CVEARBPZSA-N 1 3 381.521 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423735248 1072574203 /nfs/dbraw/zinc/57/42/03/1072574203.db2.gz OZUAPOBGMFCDJW-HOTGVXAUSA-N 1 3 381.521 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423735249 1072574299 /nfs/dbraw/zinc/57/42/99/1072574299.db2.gz OZUAPOBGMFCDJW-HZPDHXFCSA-N 1 3 381.521 -0.415 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423735251 1072573911 /nfs/dbraw/zinc/57/39/11/1072573911.db2.gz OZUAPOBGMFCDJW-JKSUJKDBSA-N 1 3 381.521 -0.415 20 0 GBADHO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000424338655 1072589509 /nfs/dbraw/zinc/58/95/09/1072589509.db2.gz UTIACOGSDBOVOO-HUUCEWRRSA-N 1 3 399.517 -0.016 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424457181 1072594927 /nfs/dbraw/zinc/59/49/27/1072594927.db2.gz YIISHOIMVLJFNF-BBWFWOEESA-N 1 3 391.520 -0.201 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424457182 1072595151 /nfs/dbraw/zinc/59/51/51/1072595151.db2.gz YIISHOIMVLJFNF-GVDBMIGSSA-N 1 3 391.520 -0.201 20 0 GBADHO CN(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000424501696 1072600431 /nfs/dbraw/zinc/60/04/31/1072600431.db2.gz FUNDCACOZOFGGZ-CEXWTWQISA-N 1 3 398.511 -0.038 20 0 GBADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000424501697 1072600392 /nfs/dbraw/zinc/60/03/92/1072600392.db2.gz FUNDCACOZOFGGZ-GBESFXJTSA-N 1 3 398.511 -0.038 20 0 GBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424513712 1072603112 /nfs/dbraw/zinc/60/31/12/1072603112.db2.gz YCFUQANFUGSGPU-CEXWTWQISA-N 1 3 398.511 -0.038 20 0 GBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424513714 1072603097 /nfs/dbraw/zinc/60/30/97/1072603097.db2.gz YCFUQANFUGSGPU-GBESFXJTSA-N 1 3 398.511 -0.038 20 0 GBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)C[C@H]2[NH3+])cn1 ZINC000424514706 1072602989 /nfs/dbraw/zinc/60/29/89/1072602989.db2.gz BAOCNYXZSNMUQP-ARFHVFGLSA-N 1 3 376.505 -0.090 20 0 GBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)C[C@H]2[NH3+])cn1 ZINC000424514716 1072603154 /nfs/dbraw/zinc/60/31/54/1072603154.db2.gz BAOCNYXZSNMUQP-XHSDSOJGSA-N 1 3 376.505 -0.090 20 0 GBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCSC1 ZINC000424518426 1072604361 /nfs/dbraw/zinc/60/43/61/1072604361.db2.gz HWEHNZPJPPESJI-JJRVBVJISA-N 1 3 380.518 -0.773 20 0 GBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCSC1 ZINC000424518434 1072604298 /nfs/dbraw/zinc/60/42/98/1072604298.db2.gz HWEHNZPJPPESJI-VBQJREDUSA-N 1 3 380.518 -0.773 20 0 GBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424523506 1072604289 /nfs/dbraw/zinc/60/42/89/1072604289.db2.gz OJSSCDKWHMYEMV-RBUKOAKNSA-N 1 3 385.512 -0.259 20 0 GBADHO C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000424528056 1072601473 /nfs/dbraw/zinc/60/14/73/1072601473.db2.gz TVJNFQNRTXBJDO-DLBZAZTESA-N 1 3 379.549 -0.023 20 0 GBADHO C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000424528057 1072601540 /nfs/dbraw/zinc/60/15/40/1072601540.db2.gz TVJNFQNRTXBJDO-IAGOWNOFSA-N 1 3 379.549 -0.023 20 0 GBADHO C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000424528058 1072601268 /nfs/dbraw/zinc/60/12/68/1072601268.db2.gz TVJNFQNRTXBJDO-IRXDYDNUSA-N 1 3 379.549 -0.023 20 0 GBADHO C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000424528059 1072601658 /nfs/dbraw/zinc/60/16/58/1072601658.db2.gz TVJNFQNRTXBJDO-SJORKVTESA-N 1 3 379.549 -0.023 20 0 GBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424550626 1072606013 /nfs/dbraw/zinc/60/60/13/1072606013.db2.gz SXMRSOSTHNNZNM-DLBZAZTESA-N 1 3 388.472 -0.143 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424553127 1072606624 /nfs/dbraw/zinc/60/66/24/1072606624.db2.gz YYUVQMHQTCEBAZ-IXDOHACOSA-N 1 3 392.504 -0.758 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424553128 1072606918 /nfs/dbraw/zinc/60/69/18/1072606918.db2.gz YYUVQMHQTCEBAZ-YESZJQIVSA-N 1 3 392.504 -0.758 20 0 GBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000424562695 1072607832 /nfs/dbraw/zinc/60/78/32/1072607832.db2.gz ZKTPCJMMBAKGTR-BHYGNILZSA-N 1 3 376.505 -0.090 20 0 GBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000424562705 1072607797 /nfs/dbraw/zinc/60/77/97/1072607797.db2.gz ZKTPCJMMBAKGTR-HYVNUMGLSA-N 1 3 376.505 -0.090 20 0 GBADHO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)[C@@H]2C1 ZINC000425394247 1072702627 /nfs/dbraw/zinc/70/26/27/1072702627.db2.gz WAYRYPCOQCJYCE-DLBZAZTESA-N 1 3 391.516 -0.694 20 0 GBADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)[C@@H]2C1 ZINC000425394247 1072702624 /nfs/dbraw/zinc/70/26/24/1072702624.db2.gz WAYRYPCOQCJYCE-DLBZAZTESA-N 1 3 391.516 -0.694 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425395440 1072703186 /nfs/dbraw/zinc/70/31/86/1072703186.db2.gz XSBAUVHTAVUAON-DLBZAZTESA-N 1 3 393.532 -0.448 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425395440 1072703182 /nfs/dbraw/zinc/70/31/82/1072703182.db2.gz XSBAUVHTAVUAON-DLBZAZTESA-N 1 3 393.532 -0.448 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425402858 1072709304 /nfs/dbraw/zinc/70/93/04/1072709304.db2.gz NMHTXWOKGHFDIW-GVDBMIGSSA-N 1 3 391.516 -0.696 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425402858 1072709298 /nfs/dbraw/zinc/70/92/98/1072709298.db2.gz NMHTXWOKGHFDIW-GVDBMIGSSA-N 1 3 391.516 -0.696 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425402859 1072709204 /nfs/dbraw/zinc/70/92/04/1072709204.db2.gz NMHTXWOKGHFDIW-YESZJQIVSA-N 1 3 391.516 -0.696 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425402859 1072709196 /nfs/dbraw/zinc/70/91/96/1072709196.db2.gz NMHTXWOKGHFDIW-YESZJQIVSA-N 1 3 391.516 -0.696 20 0 GBADHO CCOC(=O)Cn1cnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000425697179 1072773585 /nfs/dbraw/zinc/77/35/85/1072773585.db2.gz CGWUNOKTNQYMST-UHFFFAOYSA-N 1 3 393.492 0.521 20 0 GBADHO O=C(CN1CCC[C@@H]1CCO)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000426203253 1072916757 /nfs/dbraw/zinc/91/67/57/1072916757.db2.gz YZXVSSLNZLTDGU-QZTJIDSGSA-N 1 3 396.532 -0.649 20 0 GBADHO O=C(CN1CCC[C@@H]1CCO)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000426203253 1072916752 /nfs/dbraw/zinc/91/67/52/1072916752.db2.gz YZXVSSLNZLTDGU-QZTJIDSGSA-N 1 3 396.532 -0.649 20 0 GBADHO O=C(CN1CCC[C@H]1CCO)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CCO)CC1 ZINC000426203254 1072916689 /nfs/dbraw/zinc/91/66/89/1072916689.db2.gz YZXVSSLNZLTDGU-ROUUACIJSA-N 1 3 396.532 -0.649 20 0 GBADHO O=C(CN1CCC[C@H]1CCO)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000426203254 1072916683 /nfs/dbraw/zinc/91/66/83/1072916683.db2.gz YZXVSSLNZLTDGU-ROUUACIJSA-N 1 3 396.532 -0.649 20 0 GBADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605180 1072591636 /nfs/dbraw/zinc/59/16/36/1072591636.db2.gz PZHIAWYULSOJIW-DLBZAZTESA-N 1 3 383.537 -0.754 20 0 GBADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605181 1072592106 /nfs/dbraw/zinc/59/21/06/1072592106.db2.gz PZHIAWYULSOJIW-IAGOWNOFSA-N 1 3 383.537 -0.754 20 0 GBADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605183 1072591785 /nfs/dbraw/zinc/59/17/85/1072591785.db2.gz PZHIAWYULSOJIW-IRXDYDNUSA-N 1 3 383.537 -0.754 20 0 GBADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605185 1072591689 /nfs/dbraw/zinc/59/16/89/1072591689.db2.gz PZHIAWYULSOJIW-SJORKVTESA-N 1 3 383.537 -0.754 20 0 GBADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633585 1072623628 /nfs/dbraw/zinc/62/36/28/1072623628.db2.gz CGAIGJQDXQPVCR-CVEARBPZSA-N 1 3 389.504 -0.699 20 0 GBADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633586 1072623909 /nfs/dbraw/zinc/62/39/09/1072623909.db2.gz CGAIGJQDXQPVCR-HOTGVXAUSA-N 1 3 389.504 -0.699 20 0 GBADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633587 1072624016 /nfs/dbraw/zinc/62/40/16/1072624016.db2.gz CGAIGJQDXQPVCR-HZPDHXFCSA-N 1 3 389.504 -0.699 20 0 GBADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633588 1072623844 /nfs/dbraw/zinc/62/38/44/1072623844.db2.gz CGAIGJQDXQPVCR-JKSUJKDBSA-N 1 3 389.504 -0.699 20 0 GBADHO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC(C[NH3+])CC2)CC1 ZINC000430633601 1072623605 /nfs/dbraw/zinc/62/36/05/1072623605.db2.gz ADNGZKUMTNWULB-UHFFFAOYSA-N 1 3 399.517 -0.205 20 0 GBADHO Cc1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000430865994 1072218159 /nfs/dbraw/zinc/21/81/59/1072218159.db2.gz FMQZNLGLNVSNAD-UHFFFAOYSA-N 1 3 389.504 -0.109 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430869567 1072218022 /nfs/dbraw/zinc/21/80/22/1072218022.db2.gz QQRQLCSXVAGLMT-UHFFFAOYSA-N 1 3 375.477 -0.417 20 0 GBADHO C[NH2+]CC1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000430955095 1072224637 /nfs/dbraw/zinc/22/46/37/1072224637.db2.gz LJZKLXSOKZMMPC-UHFFFAOYSA-N 1 3 386.504 -0.057 20 0 GBADHO [NH3+]C1CCN(CCCC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000433161125 1073886007 /nfs/dbraw/zinc/88/60/07/1073886007.db2.gz QQCMOJKAQMPMST-UHFFFAOYSA-N 1 3 375.521 -0.082 20 0 GBADHO CN1CCN(C(=O)Cn2cc(NC(=O)CCCN3CCC([NH3+])CC3)cn2)CC1 ZINC000433171627 1073887851 /nfs/dbraw/zinc/88/78/51/1073887851.db2.gz FGKJKUYLEPCTSF-UHFFFAOYSA-N 1 3 391.520 -0.201 20 0 GBADHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1OCC(N)=O ZINC000435376747 1072691175 /nfs/dbraw/zinc/69/11/75/1072691175.db2.gz UKQXQPJNOKLITB-AWEZNQCLSA-N 1 3 394.472 -0.145 20 0 GBADHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1OCC(N)=O ZINC000435376748 1072691332 /nfs/dbraw/zinc/69/13/32/1072691332.db2.gz UKQXQPJNOKLITB-CQSZACIVSA-N 1 3 394.472 -0.145 20 0 GBADHO Cc1cnc(N2CCN(C[C@@H](C)O)CC2)nc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000436459867 1072747745 /nfs/dbraw/zinc/74/77/45/1072747745.db2.gz SMOVMEZTDBRNHV-IAGOWNOFSA-N 1 3 378.521 -0.209 20 0 GBADHO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC000438364082 1072881997 /nfs/dbraw/zinc/88/19/97/1072881997.db2.gz JLTDJLAHGRBUGG-DLBZAZTESA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000438364082 1072881987 /nfs/dbraw/zinc/88/19/87/1072881987.db2.gz JLTDJLAHGRBUGG-DLBZAZTESA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC000438364082 1072881977 /nfs/dbraw/zinc/88/19/77/1072881977.db2.gz JLTDJLAHGRBUGG-DLBZAZTESA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@H](CN1CCOCC1)C(=O)NCCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000438364084 1072881708 /nfs/dbraw/zinc/88/17/08/1072881708.db2.gz JLTDJLAHGRBUGG-IAGOWNOFSA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000438364084 1072881697 /nfs/dbraw/zinc/88/16/97/1072881697.db2.gz JLTDJLAHGRBUGG-IAGOWNOFSA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@H](CN1CCOCC1)C(=O)NCCN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC000438364084 1072881685 /nfs/dbraw/zinc/88/16/85/1072881685.db2.gz JLTDJLAHGRBUGG-IAGOWNOFSA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@@H](CN1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000438364086 1072881836 /nfs/dbraw/zinc/88/18/36/1072881836.db2.gz JLTDJLAHGRBUGG-IRXDYDNUSA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@@H](CN1CCOCC1)C(=O)N(C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000438364086 1072881829 /nfs/dbraw/zinc/88/18/29/1072881829.db2.gz JLTDJLAHGRBUGG-IRXDYDNUSA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@@H](CN1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC000438364086 1072881820 /nfs/dbraw/zinc/88/18/20/1072881820.db2.gz JLTDJLAHGRBUGG-IRXDYDNUSA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@H](CN1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000438364088 1072882078 /nfs/dbraw/zinc/88/20/78/1072882078.db2.gz JLTDJLAHGRBUGG-SJORKVTESA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC000438364088 1072882066 /nfs/dbraw/zinc/88/20/66/1072882066.db2.gz JLTDJLAHGRBUGG-SJORKVTESA-N 1 3 384.521 -0.502 20 0 GBADHO C[C@H](CN1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC000438364088 1072882060 /nfs/dbraw/zinc/88/20/60/1072882060.db2.gz JLTDJLAHGRBUGG-SJORKVTESA-N 1 3 384.521 -0.502 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438714690 1072905081 /nfs/dbraw/zinc/90/50/81/1072905081.db2.gz MKRFLGJBUFLOMR-HNNXBMFYSA-N 1 3 379.509 0.509 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438714691 1072905308 /nfs/dbraw/zinc/90/53/08/1072905308.db2.gz MKRFLGJBUFLOMR-OAHLLOKOSA-N 1 3 379.509 0.509 20 0 GBADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439215719 1072936568 /nfs/dbraw/zinc/93/65/68/1072936568.db2.gz QAHCZRGEXVBTSF-UHFFFAOYSA-N 1 3 393.492 -0.946 20 0 GBADHO Cn1ccc(N2CCC[C@H]([NH2+]CCCCN3CCN(CCO)CC3)C2=O)n1 ZINC000439594285 1072958521 /nfs/dbraw/zinc/95/85/21/1072958521.db2.gz WTNZHTULNJINBP-KRWDZBQOSA-N 1 3 378.521 -0.105 20 0 GBADHO Cn1ccc(N2CCC[C@@H]([NH2+]CCCCN3CCN(CCO)CC3)C2=O)n1 ZINC000439594286 1072958152 /nfs/dbraw/zinc/95/81/52/1072958152.db2.gz WTNZHTULNJINBP-QGZVFWFLSA-N 1 3 378.521 -0.105 20 0 GBADHO Cn1cc(N2CCC[C@@H]([NH2+]CCCCN3CCN(CCO)CC3)C2=O)cn1 ZINC000439596336 1072958464 /nfs/dbraw/zinc/95/84/64/1072958464.db2.gz ZHDCCJQNRBPTQL-GOSISDBHSA-N 1 3 378.521 -0.105 20 0 GBADHO Cn1cc(N2CCC[C@H]([NH2+]CCCCN3CCN(CCO)CC3)C2=O)cn1 ZINC000439596337 1072958211 /nfs/dbraw/zinc/95/82/11/1072958211.db2.gz ZHDCCJQNRBPTQL-SFHVURJKSA-N 1 3 378.521 -0.105 20 0 GBADHO CN1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000440992550 1073103500 /nfs/dbraw/zinc/10/35/00/1073103500.db2.gz ZHXSOHYOAGDMKI-INIZCTEOSA-N 1 3 382.553 -0.101 20 0 GBADHO CN1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000440992550 1073103498 /nfs/dbraw/zinc/10/34/98/1073103498.db2.gz ZHXSOHYOAGDMKI-INIZCTEOSA-N 1 3 382.553 -0.101 20 0 GBADHO CN1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000440992558 1073103159 /nfs/dbraw/zinc/10/31/59/1073103159.db2.gz ZHXSOHYOAGDMKI-MRXNPFEDSA-N 1 3 382.553 -0.101 20 0 GBADHO CN1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000440992558 1073103151 /nfs/dbraw/zinc/10/31/51/1073103151.db2.gz ZHXSOHYOAGDMKI-MRXNPFEDSA-N 1 3 382.553 -0.101 20 0 GBADHO CN1CCN(CCOc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000441897943 1073232655 /nfs/dbraw/zinc/23/26/55/1073232655.db2.gz UBYSETMBVLRJLR-UHFFFAOYSA-N 1 3 377.489 -0.071 20 0 GBADHO CCN(CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(=O)[C@@H](C)CN1CCOCC1 ZINC000444375938 1073511192 /nfs/dbraw/zinc/51/11/92/1073511192.db2.gz RCJBINGNRJFTCA-MSOLQXFVSA-N 1 3 398.548 -0.112 20 0 GBADHO CCN(CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(=O)[C@H](C)CN1CCOCC1 ZINC000444375939 1073511564 /nfs/dbraw/zinc/51/15/64/1073511564.db2.gz RCJBINGNRJFTCA-QZTJIDSGSA-N 1 3 398.548 -0.112 20 0 GBADHO CCN(CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)[C@@H](C)CN1CCOCC1 ZINC000444375940 1073511324 /nfs/dbraw/zinc/51/13/24/1073511324.db2.gz RCJBINGNRJFTCA-ROUUACIJSA-N 1 3 398.548 -0.112 20 0 GBADHO CCN(CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)[C@H](C)CN1CCOCC1 ZINC000444375941 1073511503 /nfs/dbraw/zinc/51/15/03/1073511503.db2.gz RCJBINGNRJFTCA-ZWKOTPCHSA-N 1 3 398.548 -0.112 20 0 GBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000449853840 1073727607 /nfs/dbraw/zinc/72/76/07/1073727607.db2.gz WNMLHBRQIFCCEU-BRSBDYLESA-N 1 3 396.532 -0.458 20 0 GBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000449853840 1073727603 /nfs/dbraw/zinc/72/76/03/1073727603.db2.gz WNMLHBRQIFCCEU-BRSBDYLESA-N 1 3 396.532 -0.458 20 0 GBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000449853842 1073727363 /nfs/dbraw/zinc/72/73/63/1073727363.db2.gz WNMLHBRQIFCCEU-WNRNVDISSA-N 1 3 396.532 -0.458 20 0 GBADHO COCCN1CC[C@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000449853842 1073727351 /nfs/dbraw/zinc/72/73/51/1073727351.db2.gz WNMLHBRQIFCCEU-WNRNVDISSA-N 1 3 396.532 -0.458 20 0 GBADHO Cc1cnc(N2CCN(CCO)C[C@H]2C)nc1N1CC[N@@H+](CCO)C[C@@H]1C ZINC000450950250 1073761256 /nfs/dbraw/zinc/76/12/56/1073761256.db2.gz CJNGDPQJVHEECY-DLBZAZTESA-N 1 3 378.521 -0.209 20 0 GBADHO Cc1cnc(N2CCN(CCO)C[C@H]2C)nc1N1CC[N@H+](CCO)C[C@@H]1C ZINC000450950250 1073761246 /nfs/dbraw/zinc/76/12/46/1073761246.db2.gz CJNGDPQJVHEECY-DLBZAZTESA-N 1 3 378.521 -0.209 20 0 GBADHO Cc1cnc(N2CCN(CCO)C[C@H]2C)nc1N1CC[N@@H+](CCO)C[C@H]1C ZINC000450950251 1073761501 /nfs/dbraw/zinc/76/15/01/1073761501.db2.gz CJNGDPQJVHEECY-IAGOWNOFSA-N 1 3 378.521 -0.209 20 0 GBADHO Cc1cnc(N2CCN(CCO)C[C@H]2C)nc1N1CC[N@H+](CCO)C[C@H]1C ZINC000450950251 1073761495 /nfs/dbraw/zinc/76/14/95/1073761495.db2.gz CJNGDPQJVHEECY-IAGOWNOFSA-N 1 3 378.521 -0.209 20 0 GBADHO Cc1cnc(N2CCN(CCO)C[C@@H]2C)nc1N1CC[N@@H+](CCO)C[C@@H]1C ZINC000450950252 1073761610 /nfs/dbraw/zinc/76/16/10/1073761610.db2.gz CJNGDPQJVHEECY-IRXDYDNUSA-N 1 3 378.521 -0.209 20 0 GBADHO Cc1cnc(N2CCN(CCO)C[C@@H]2C)nc1N1CC[N@H+](CCO)C[C@@H]1C ZINC000450950252 1073761603 /nfs/dbraw/zinc/76/16/03/1073761603.db2.gz CJNGDPQJVHEECY-IRXDYDNUSA-N 1 3 378.521 -0.209 20 0 GBADHO Cc1cnc(N2CCN(CCO)C[C@@H]2C)nc1N1CC[N@@H+](CCO)C[C@H]1C ZINC000450950253 1073761449 /nfs/dbraw/zinc/76/14/49/1073761449.db2.gz CJNGDPQJVHEECY-SJORKVTESA-N 1 3 378.521 -0.209 20 0 GBADHO Cc1cnc(N2CCN(CCO)C[C@@H]2C)nc1N1CC[N@H+](CCO)C[C@H]1C ZINC000450950253 1073761447 /nfs/dbraw/zinc/76/14/47/1073761447.db2.gz CJNGDPQJVHEECY-SJORKVTESA-N 1 3 378.521 -0.209 20 0 GBADHO CN(CC1(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)COC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451136723 1073767839 /nfs/dbraw/zinc/76/78/39/1073767839.db2.gz HBGABJXTWOUEMB-YRPNKDGESA-N 1 3 394.560 -0.187 20 0 GBADHO CN(CC1(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)COC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451136723 1073767835 /nfs/dbraw/zinc/76/78/35/1073767835.db2.gz HBGABJXTWOUEMB-YRPNKDGESA-N 1 3 394.560 -0.187 20 0 GBADHO CN(CC1(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)COC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451136723 1073767829 /nfs/dbraw/zinc/76/78/29/1073767829.db2.gz HBGABJXTWOUEMB-YRPNKDGESA-N 1 3 394.560 -0.187 20 0 GBADHO CN(CC1(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)COC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451136723 1073767820 /nfs/dbraw/zinc/76/78/20/1073767820.db2.gz HBGABJXTWOUEMB-YRPNKDGESA-N 1 3 394.560 -0.187 20 0 GBADHO COC[C@]1(C(=O)OC)CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000451327551 1073772529 /nfs/dbraw/zinc/77/25/29/1073772529.db2.gz HFZNUDDVVJVMRL-APWZRJJASA-N 1 3 385.505 -0.029 20 0 GBADHO COC[C@]1(C(=O)OC)CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000451327551 1073772521 /nfs/dbraw/zinc/77/25/21/1073772521.db2.gz HFZNUDDVVJVMRL-APWZRJJASA-N 1 3 385.505 -0.029 20 0 GBADHO COC[C@]1(C(=O)OC)CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000451327552 1073772431 /nfs/dbraw/zinc/77/24/31/1073772431.db2.gz HFZNUDDVVJVMRL-LPHOPBHVSA-N 1 3 385.505 -0.029 20 0 GBADHO COC[C@]1(C(=O)OC)CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000451327552 1073772426 /nfs/dbraw/zinc/77/24/26/1073772426.db2.gz HFZNUDDVVJVMRL-LPHOPBHVSA-N 1 3 385.505 -0.029 20 0 GBADHO COC[C@@]1(C(=O)OC)CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000451327553 1073771888 /nfs/dbraw/zinc/77/18/88/1073771888.db2.gz HFZNUDDVVJVMRL-QFBILLFUSA-N 1 3 385.505 -0.029 20 0 GBADHO COC[C@@]1(C(=O)OC)CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000451327553 1073771881 /nfs/dbraw/zinc/77/18/81/1073771881.db2.gz HFZNUDDVVJVMRL-QFBILLFUSA-N 1 3 385.505 -0.029 20 0 GBADHO COC[C@@]1(C(=O)OC)CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000451327554 1073772242 /nfs/dbraw/zinc/77/22/42/1073772242.db2.gz HFZNUDDVVJVMRL-VQIMIIECSA-N 1 3 385.505 -0.029 20 0 GBADHO COC[C@@]1(C(=O)OC)CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000451327554 1073772235 /nfs/dbraw/zinc/77/22/35/1073772235.db2.gz HFZNUDDVVJVMRL-VQIMIIECSA-N 1 3 385.505 -0.029 20 0 GBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000462732676 530138657 /nfs/dbraw/zinc/13/86/57/530138657.db2.gz CLQGFFLOEWCXNE-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000462732676 530138654 /nfs/dbraw/zinc/13/86/54/530138654.db2.gz CLQGFFLOEWCXNE-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000462732677 530138637 /nfs/dbraw/zinc/13/86/37/530138637.db2.gz CLQGFFLOEWCXNE-OAHLLOKOSA-N 1 3 377.555 -0.065 20 0 GBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000462732677 530138634 /nfs/dbraw/zinc/13/86/34/530138634.db2.gz CLQGFFLOEWCXNE-OAHLLOKOSA-N 1 3 377.555 -0.065 20 0 GBADHO CC[NH+](CC)CCO[C@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000472273426 1072419222 /nfs/dbraw/zinc/41/92/22/1072419222.db2.gz BQQNMNZVZUCLID-HNNXBMFYSA-N 1 3 392.504 -0.134 20 0 GBADHO CC[NH+](CC)CCO[C@@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000472273427 1072419291 /nfs/dbraw/zinc/41/92/91/1072419291.db2.gz BQQNMNZVZUCLID-OAHLLOKOSA-N 1 3 392.504 -0.134 20 0 GBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913748 1073226699 /nfs/dbraw/zinc/22/66/99/1073226699.db2.gz KAONSDSKHBKQCF-DLBZAZTESA-N 1 3 382.553 -0.101 20 0 GBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913748 1073226690 /nfs/dbraw/zinc/22/66/90/1073226690.db2.gz KAONSDSKHBKQCF-DLBZAZTESA-N 1 3 382.553 -0.101 20 0 GBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913749 1073226575 /nfs/dbraw/zinc/22/65/75/1073226575.db2.gz KAONSDSKHBKQCF-IAGOWNOFSA-N 1 3 382.553 -0.101 20 0 GBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913749 1073226569 /nfs/dbraw/zinc/22/65/69/1073226569.db2.gz KAONSDSKHBKQCF-IAGOWNOFSA-N 1 3 382.553 -0.101 20 0 GBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913750 1073226392 /nfs/dbraw/zinc/22/63/92/1073226392.db2.gz KAONSDSKHBKQCF-IRXDYDNUSA-N 1 3 382.553 -0.101 20 0 GBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913750 1073226384 /nfs/dbraw/zinc/22/63/84/1073226384.db2.gz KAONSDSKHBKQCF-IRXDYDNUSA-N 1 3 382.553 -0.101 20 0 GBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913751 1073226755 /nfs/dbraw/zinc/22/67/55/1073226755.db2.gz KAONSDSKHBKQCF-SJORKVTESA-N 1 3 382.553 -0.101 20 0 GBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913751 1073226754 /nfs/dbraw/zinc/22/67/54/1073226754.db2.gz KAONSDSKHBKQCF-SJORKVTESA-N 1 3 382.553 -0.101 20 0 GBADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000473032640 1073314361 /nfs/dbraw/zinc/31/43/61/1073314361.db2.gz GUWBYNVVRMQCSR-GOSISDBHSA-N 1 3 397.564 -0.445 20 0 GBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000473032640 1073314358 /nfs/dbraw/zinc/31/43/58/1073314358.db2.gz GUWBYNVVRMQCSR-GOSISDBHSA-N 1 3 397.564 -0.445 20 0 GBADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000473032641 1073314136 /nfs/dbraw/zinc/31/41/36/1073314136.db2.gz GUWBYNVVRMQCSR-SFHVURJKSA-N 1 3 397.564 -0.445 20 0 GBADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000473032641 1073314130 /nfs/dbraw/zinc/31/41/30/1073314130.db2.gz GUWBYNVVRMQCSR-SFHVURJKSA-N 1 3 397.564 -0.445 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000473250803 1073745384 /nfs/dbraw/zinc/74/53/84/1073745384.db2.gz QJFWVNSYKVZZFO-KRWDZBQOSA-N 1 3 377.489 -0.194 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000473250806 1073746149 /nfs/dbraw/zinc/74/61/49/1073746149.db2.gz QJFWVNSYKVZZFO-QGZVFWFLSA-N 1 3 377.489 -0.194 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)CC1 ZINC000473414626 1073830816 /nfs/dbraw/zinc/83/08/16/1073830816.db2.gz TWTQTZYMGIHBOB-FQEVSTJZSA-N 1 3 389.500 -0.050 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)CC1 ZINC000473414626 1073830806 /nfs/dbraw/zinc/83/08/06/1073830806.db2.gz TWTQTZYMGIHBOB-FQEVSTJZSA-N 1 3 389.500 -0.050 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)CC1 ZINC000473414627 1073831055 /nfs/dbraw/zinc/83/10/55/1073831055.db2.gz TWTQTZYMGIHBOB-HXUWFJFHSA-N 1 3 389.500 -0.050 20 0 GBADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)CC1 ZINC000473414627 1073831041 /nfs/dbraw/zinc/83/10/41/1073831041.db2.gz TWTQTZYMGIHBOB-HXUWFJFHSA-N 1 3 389.500 -0.050 20 0 GBADHO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000473876463 1073079236 /nfs/dbraw/zinc/07/92/36/1073079236.db2.gz NCOFIWQWFDBLCY-UHFFFAOYSA-N 1 3 382.553 -0.182 20 0 GBADHO COCCN1CC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)CCC2)C1 ZINC000474706153 1073339987 /nfs/dbraw/zinc/33/99/87/1073339987.db2.gz MPVRTHHFPWFJJI-IAGOWNOFSA-N 1 3 396.532 -0.170 20 0 GBADHO COCCN1CC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CCC2)C1 ZINC000474706153 1073339982 /nfs/dbraw/zinc/33/99/82/1073339982.db2.gz MPVRTHHFPWFJJI-IAGOWNOFSA-N 1 3 396.532 -0.170 20 0 GBADHO COCCN1CC[C@H](NC(=O)C2(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)CCC2)C1 ZINC000474706154 1073340023 /nfs/dbraw/zinc/34/00/23/1073340023.db2.gz MPVRTHHFPWFJJI-IRXDYDNUSA-N 1 3 396.532 -0.170 20 0 GBADHO COCCN1CC[C@H](NC(=O)C2(C(=O)N[C@H]3CC[N@H+](CCOC)C3)CCC2)C1 ZINC000474706154 1073340019 /nfs/dbraw/zinc/34/00/19/1073340019.db2.gz MPVRTHHFPWFJJI-IRXDYDNUSA-N 1 3 396.532 -0.170 20 0 GBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000500443956 1073583929 /nfs/dbraw/zinc/58/39/29/1073583929.db2.gz RPGGBYUMCVCGMF-UHFFFAOYSA-N 1 3 379.505 -0.647 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500461322 1073702866 /nfs/dbraw/zinc/70/28/66/1073702866.db2.gz WUHSXQVVDADUFR-UHFFFAOYSA-N 1 3 381.521 -0.401 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500768309 1073772206 /nfs/dbraw/zinc/77/22/06/1073772206.db2.gz UBEUFUUVUAXLIC-HNNXBMFYSA-N 1 3 381.521 -0.354 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500768312 1073771960 /nfs/dbraw/zinc/77/19/60/1073771960.db2.gz UBEUFUUVUAXLIC-OAHLLOKOSA-N 1 3 381.521 -0.354 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500771293 1073772757 /nfs/dbraw/zinc/77/27/57/1073772757.db2.gz KEOZCVXHXUIOPE-HNNXBMFYSA-N 1 3 379.505 -0.648 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500771301 1073772975 /nfs/dbraw/zinc/77/29/75/1073772975.db2.gz KEOZCVXHXUIOPE-OAHLLOKOSA-N 1 3 379.505 -0.648 20 0 GBADHO CC(C)N1CC[NH+](CCCN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000501174555 1072187658 /nfs/dbraw/zinc/18/76/58/1072187658.db2.gz WKWYEFGHUXOJGS-UHFFFAOYSA-N 1 3 393.532 -0.304 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501600140 1072273056 /nfs/dbraw/zinc/27/30/56/1072273056.db2.gz TWKUNOMGCDWUHL-INIZCTEOSA-N 1 3 384.521 -0.360 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501600141 1072272692 /nfs/dbraw/zinc/27/26/92/1072272692.db2.gz TWKUNOMGCDWUHL-MRXNPFEDSA-N 1 3 384.521 -0.360 20 0 GBADHO CC[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC000502060314 1072299785 /nfs/dbraw/zinc/29/97/85/1072299785.db2.gz LMAPWDPZOQBMLH-FGTMMUONSA-N 1 3 398.548 -0.066 20 0 GBADHO CC[C@H](CNC(=O)[C@H](C)CN1CCOCC1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC000502060314 1072299779 /nfs/dbraw/zinc/29/97/79/1072299779.db2.gz LMAPWDPZOQBMLH-FGTMMUONSA-N 1 3 398.548 -0.066 20 0 GBADHO CC[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)NC(=O)[C@H](C)CN1CCOCC1 ZINC000502060315 1072299889 /nfs/dbraw/zinc/29/98/89/1072299889.db2.gz LMAPWDPZOQBMLH-KZNAEPCWSA-N 1 3 398.548 -0.066 20 0 GBADHO CC[C@H](CNC(=O)[C@H](C)CN1CCOCC1)NC(=O)[C@H](C)CN1CCOCC1 ZINC000502060315 1072299887 /nfs/dbraw/zinc/29/98/87/1072299887.db2.gz LMAPWDPZOQBMLH-KZNAEPCWSA-N 1 3 398.548 -0.066 20 0 GBADHO CC[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC000502060316 1072299316 /nfs/dbraw/zinc/29/93/16/1072299316.db2.gz LMAPWDPZOQBMLH-OKZBNKHCSA-N 1 3 398.548 -0.066 20 0 GBADHO CC[C@H](CNC(=O)[C@@H](C)CN1CCOCC1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC000502060316 1072299310 /nfs/dbraw/zinc/29/93/10/1072299310.db2.gz LMAPWDPZOQBMLH-OKZBNKHCSA-N 1 3 398.548 -0.066 20 0 GBADHO CC[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)NC(=O)[C@H](C)CN1CCOCC1 ZINC000502060317 1072299837 /nfs/dbraw/zinc/29/98/37/1072299837.db2.gz LMAPWDPZOQBMLH-RCCFBDPRSA-N 1 3 398.548 -0.066 20 0 GBADHO CC[C@H](CNC(=O)[C@@H](C)CN1CCOCC1)NC(=O)[C@H](C)CN1CCOCC1 ZINC000502060317 1072299834 /nfs/dbraw/zinc/29/98/34/1072299834.db2.gz LMAPWDPZOQBMLH-RCCFBDPRSA-N 1 3 398.548 -0.066 20 0 GBADHO C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000506032860 1072806122 /nfs/dbraw/zinc/80/61/22/1072806122.db2.gz SLLOWPYFSJYKHA-WNRNVDISSA-N 1 3 396.532 -0.937 20 0 GBADHO C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000506032860 1072806113 /nfs/dbraw/zinc/80/61/13/1072806113.db2.gz SLLOWPYFSJYKHA-WNRNVDISSA-N 1 3 396.532 -0.937 20 0 GBADHO CN(C)C1(CNC(=O)C(=O)NCCOCC[NH+](C)C)Cc2ccccc2C1 ZINC000506426999 1072919729 /nfs/dbraw/zinc/91/97/29/1072919729.db2.gz GOTKUSUDKRYVNP-UHFFFAOYSA-N 1 3 376.501 -0.104 20 0 GBADHO CN(CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC000511606391 1073298239 /nfs/dbraw/zinc/29/82/39/1073298239.db2.gz VIVAQIUOFLNGDT-BRSBDYLESA-N 1 3 396.532 -0.652 20 0 GBADHO CN(CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC000511606391 1073298235 /nfs/dbraw/zinc/29/82/35/1073298235.db2.gz VIVAQIUOFLNGDT-BRSBDYLESA-N 1 3 396.532 -0.652 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)CN1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000512461525 1073749355 /nfs/dbraw/zinc/74/93/55/1073749355.db2.gz DSWHHONLVKYXCL-SSTJLMRISA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@H](O)CN1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000512461525 1073749351 /nfs/dbraw/zinc/74/93/51/1073749351.db2.gz DSWHHONLVKYXCL-SSTJLMRISA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000512461525 1073749346 /nfs/dbraw/zinc/74/93/46/1073749346.db2.gz DSWHHONLVKYXCL-SSTJLMRISA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000512461525 1073749335 /nfs/dbraw/zinc/74/93/35/1073749335.db2.gz DSWHHONLVKYXCL-SSTJLMRISA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000512461526 1073750004 /nfs/dbraw/zinc/75/00/04/1073750004.db2.gz DSWHHONLVKYXCL-XKRYSZRTSA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000512461526 1073749996 /nfs/dbraw/zinc/74/99/96/1073749996.db2.gz DSWHHONLVKYXCL-XKRYSZRTSA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@H](O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512461526 1073749985 /nfs/dbraw/zinc/74/99/85/1073749985.db2.gz DSWHHONLVKYXCL-XKRYSZRTSA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@H](O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512461526 1073749976 /nfs/dbraw/zinc/74/99/76/1073749976.db2.gz DSWHHONLVKYXCL-XKRYSZRTSA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)CN1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000512461527 1073749468 /nfs/dbraw/zinc/74/94/68/1073749468.db2.gz DSWHHONLVKYXCL-XXPBSIAGSA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@H](O)CN1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000512461527 1073749461 /nfs/dbraw/zinc/74/94/61/1073749461.db2.gz DSWHHONLVKYXCL-XXPBSIAGSA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000512461527 1073749452 /nfs/dbraw/zinc/74/94/52/1073749452.db2.gz DSWHHONLVKYXCL-XXPBSIAGSA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000512461527 1073749447 /nfs/dbraw/zinc/74/94/47/1073749447.db2.gz DSWHHONLVKYXCL-XXPBSIAGSA-N 1 3 396.576 -0.063 20 0 GBADHO C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463022 1073971383 /nfs/dbraw/zinc/97/13/83/1073971383.db2.gz IJMOGONJUOSISE-INIZCTEOSA-N 1 3 395.548 -0.155 20 0 GBADHO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463025 1073971413 /nfs/dbraw/zinc/97/14/13/1073971413.db2.gz IJMOGONJUOSISE-MRXNPFEDSA-N 1 3 395.548 -0.155 20 0 GBADHO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468066 1073972706 /nfs/dbraw/zinc/97/27/06/1073972706.db2.gz DIGGFQPHQWPUBR-CVEARBPZSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468067 1073972860 /nfs/dbraw/zinc/97/28/60/1073972860.db2.gz DIGGFQPHQWPUBR-HOTGVXAUSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468068 1073972809 /nfs/dbraw/zinc/97/28/09/1073972809.db2.gz DIGGFQPHQWPUBR-HZPDHXFCSA-N 1 3 395.548 -0.156 20 0 GBADHO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468069 1073972378 /nfs/dbraw/zinc/97/23/78/1073972378.db2.gz DIGGFQPHQWPUBR-JKSUJKDBSA-N 1 3 395.548 -0.156 20 0 GBADHO CCS(=O)(=O)NCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000514122902 530299679 /nfs/dbraw/zinc/29/96/79/530299679.db2.gz PQUUWZUYFZVBHP-UHFFFAOYSA-N 1 3 375.539 -0.217 20 0 GBADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000515074098 1072701417 /nfs/dbraw/zinc/70/14/17/1072701417.db2.gz NOHJYRAWCMUPDN-BZUAXINKSA-N 1 3 393.532 -0.226 20 0 GBADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000515074098 1072701402 /nfs/dbraw/zinc/70/14/02/1072701402.db2.gz NOHJYRAWCMUPDN-BZUAXINKSA-N 1 3 393.532 -0.226 20 0 GBADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000515074101 1072701158 /nfs/dbraw/zinc/70/11/58/1072701158.db2.gz NOHJYRAWCMUPDN-OAGGEKHMSA-N 1 3 393.532 -0.226 20 0 GBADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000515074101 1072701155 /nfs/dbraw/zinc/70/11/55/1072701155.db2.gz NOHJYRAWCMUPDN-OAGGEKHMSA-N 1 3 393.532 -0.226 20 0 GBADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000515074102 1072701370 /nfs/dbraw/zinc/70/13/70/1072701370.db2.gz NOHJYRAWCMUPDN-OWCLPIDISA-N 1 3 393.532 -0.226 20 0 GBADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000515074102 1072701362 /nfs/dbraw/zinc/70/13/62/1072701362.db2.gz NOHJYRAWCMUPDN-OWCLPIDISA-N 1 3 393.532 -0.226 20 0 GBADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000515074103 1072701652 /nfs/dbraw/zinc/70/16/52/1072701652.db2.gz NOHJYRAWCMUPDN-PMPSAXMXSA-N 1 3 393.532 -0.226 20 0 GBADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000515074103 1072701649 /nfs/dbraw/zinc/70/16/49/1072701649.db2.gz NOHJYRAWCMUPDN-PMPSAXMXSA-N 1 3 393.532 -0.226 20 0 GBADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000515501094 1072726303 /nfs/dbraw/zinc/72/63/03/1072726303.db2.gz VEVOJMZFEISQOY-DLBZAZTESA-N 1 3 387.484 -0.823 20 0 GBADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000515501099 1072726411 /nfs/dbraw/zinc/72/64/11/1072726411.db2.gz VEVOJMZFEISQOY-IAGOWNOFSA-N 1 3 387.484 -0.823 20 0 GBADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000515501100 1072726786 /nfs/dbraw/zinc/72/67/86/1072726786.db2.gz VEVOJMZFEISQOY-IRXDYDNUSA-N 1 3 387.484 -0.823 20 0 GBADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000515501101 1072726405 /nfs/dbraw/zinc/72/64/05/1072726405.db2.gz VEVOJMZFEISQOY-SJORKVTESA-N 1 3 387.484 -0.823 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000515573800 1072730869 /nfs/dbraw/zinc/73/08/69/1072730869.db2.gz CTGYGCPXZSXRIP-UHFFFAOYSA-N 1 3 385.490 -0.776 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000515794730 1072740235 /nfs/dbraw/zinc/74/02/35/1072740235.db2.gz UHTAWYQNVYAQMF-UHFFFAOYSA-N 1 3 392.504 -0.202 20 0 GBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000516315227 1072765950 /nfs/dbraw/zinc/76/59/50/1072765950.db2.gz JUYXJMGVPDVVAR-BZUAXINKSA-N 1 3 379.505 -0.759 20 0 GBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000516315227 1072765940 /nfs/dbraw/zinc/76/59/40/1072765940.db2.gz JUYXJMGVPDVVAR-BZUAXINKSA-N 1 3 379.505 -0.759 20 0 GBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000516315235 1072765685 /nfs/dbraw/zinc/76/56/85/1072765685.db2.gz JUYXJMGVPDVVAR-OAGGEKHMSA-N 1 3 379.505 -0.759 20 0 GBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000516315235 1072765677 /nfs/dbraw/zinc/76/56/77/1072765677.db2.gz JUYXJMGVPDVVAR-OAGGEKHMSA-N 1 3 379.505 -0.759 20 0 GBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000516315237 1072765598 /nfs/dbraw/zinc/76/55/98/1072765598.db2.gz JUYXJMGVPDVVAR-OWCLPIDISA-N 1 3 379.505 -0.759 20 0 GBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000516315237 1072765588 /nfs/dbraw/zinc/76/55/88/1072765588.db2.gz JUYXJMGVPDVVAR-OWCLPIDISA-N 1 3 379.505 -0.759 20 0 GBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000516315240 1072766076 /nfs/dbraw/zinc/76/60/76/1072766076.db2.gz JUYXJMGVPDVVAR-PMPSAXMXSA-N 1 3 379.505 -0.759 20 0 GBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000516315240 1072766074 /nfs/dbraw/zinc/76/60/74/1072766074.db2.gz JUYXJMGVPDVVAR-PMPSAXMXSA-N 1 3 379.505 -0.759 20 0 GBADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516664542 1072792296 /nfs/dbraw/zinc/79/22/96/1072792296.db2.gz JSSCKTOHNYCROY-BBWFWOEESA-N 1 3 387.484 -0.954 20 0 GBADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516664544 1072792090 /nfs/dbraw/zinc/79/20/90/1072792090.db2.gz JSSCKTOHNYCROY-GVDBMIGSSA-N 1 3 387.484 -0.954 20 0 GBADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516664545 1072792184 /nfs/dbraw/zinc/79/21/84/1072792184.db2.gz JSSCKTOHNYCROY-ULQDDVLXSA-N 1 3 387.484 -0.954 20 0 GBADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516664546 1072792206 /nfs/dbraw/zinc/79/22/06/1072792206.db2.gz JSSCKTOHNYCROY-YESZJQIVSA-N 1 3 387.484 -0.954 20 0 GBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(S(N)(=O)=O)CC3)CC2)CC1 ZINC000517038442 1072827816 /nfs/dbraw/zinc/82/78/16/1072827816.db2.gz BUCKCKONFYJKGV-UHFFFAOYSA-N 1 3 387.550 -0.470 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000517083637 1072831510 /nfs/dbraw/zinc/83/15/10/1072831510.db2.gz NCQOAOOOLOSCEX-UHFFFAOYSA-N 1 3 383.537 -0.345 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000517083714 1072831842 /nfs/dbraw/zinc/83/18/42/1072831842.db2.gz ZUIMAOZNDYIUNF-UHFFFAOYSA-N 1 3 394.495 -0.179 20 0 GBADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000517192708 1072845421 /nfs/dbraw/zinc/84/54/21/1072845421.db2.gz UBFBXOWZKWFACB-IAGOWNOFSA-N 1 3 382.505 -0.606 20 0 GBADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000517192708 1072845414 /nfs/dbraw/zinc/84/54/14/1072845414.db2.gz UBFBXOWZKWFACB-IAGOWNOFSA-N 1 3 382.505 -0.606 20 0 GBADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000517192709 1072845489 /nfs/dbraw/zinc/84/54/89/1072845489.db2.gz UBFBXOWZKWFACB-SJORKVTESA-N 1 3 382.505 -0.606 20 0 GBADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000517192709 1072845476 /nfs/dbraw/zinc/84/54/76/1072845476.db2.gz UBFBXOWZKWFACB-SJORKVTESA-N 1 3 382.505 -0.606 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000517342717 1072858936 /nfs/dbraw/zinc/85/89/36/1072858936.db2.gz OHCQFHCMGXUVAG-BRWVUGGUSA-N 1 3 391.516 -0.743 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000517342718 1072860801 /nfs/dbraw/zinc/86/08/01/1072860801.db2.gz OHCQFHCMGXUVAG-GVDBMIGSSA-N 1 3 391.516 -0.743 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000517342719 1072860171 /nfs/dbraw/zinc/86/01/71/1072860171.db2.gz OHCQFHCMGXUVAG-IXDOHACOSA-N 1 3 391.516 -0.743 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000517342720 1072860667 /nfs/dbraw/zinc/86/06/67/1072860667.db2.gz OHCQFHCMGXUVAG-YESZJQIVSA-N 1 3 391.516 -0.743 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000517552514 1072868904 /nfs/dbraw/zinc/86/89/04/1072868904.db2.gz TWQGUTQCLSMPSM-UHFFFAOYSA-N 1 3 386.537 -0.378 20 0 GBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000518742416 1072952901 /nfs/dbraw/zinc/95/29/01/1072952901.db2.gz VLXBSKILTPVWHQ-CVEARBPZSA-N 1 3 379.505 -0.613 20 0 GBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000518742416 1072952894 /nfs/dbraw/zinc/95/28/94/1072952894.db2.gz VLXBSKILTPVWHQ-CVEARBPZSA-N 1 3 379.505 -0.613 20 0 GBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000518742417 1072953064 /nfs/dbraw/zinc/95/30/64/1072953064.db2.gz VLXBSKILTPVWHQ-HOTGVXAUSA-N 1 3 379.505 -0.613 20 0 GBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000518742417 1072953061 /nfs/dbraw/zinc/95/30/61/1072953061.db2.gz VLXBSKILTPVWHQ-HOTGVXAUSA-N 1 3 379.505 -0.613 20 0 GBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000518742418 1072953020 /nfs/dbraw/zinc/95/30/20/1072953020.db2.gz VLXBSKILTPVWHQ-HZPDHXFCSA-N 1 3 379.505 -0.613 20 0 GBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000518742418 1072953016 /nfs/dbraw/zinc/95/30/16/1072953016.db2.gz VLXBSKILTPVWHQ-HZPDHXFCSA-N 1 3 379.505 -0.613 20 0 GBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000518742419 1072953138 /nfs/dbraw/zinc/95/31/38/1072953138.db2.gz VLXBSKILTPVWHQ-JKSUJKDBSA-N 1 3 379.505 -0.613 20 0 GBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000518742419 1072953130 /nfs/dbraw/zinc/95/31/30/1072953130.db2.gz VLXBSKILTPVWHQ-JKSUJKDBSA-N 1 3 379.505 -0.613 20 0 GBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000518797802 1072959233 /nfs/dbraw/zinc/95/92/33/1072959233.db2.gz PHEJSDYDVHBCJQ-INIZCTEOSA-N 1 3 381.521 -0.306 20 0 GBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000518797803 1072959064 /nfs/dbraw/zinc/95/90/64/1072959064.db2.gz PHEJSDYDVHBCJQ-MRXNPFEDSA-N 1 3 381.521 -0.306 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000518960605 1072969419 /nfs/dbraw/zinc/96/94/19/1072969419.db2.gz IWVHFIWIFLMWAC-JXFKEZNVSA-N 1 3 391.516 -0.647 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000518960608 1072969088 /nfs/dbraw/zinc/96/90/88/1072969088.db2.gz IWVHFIWIFLMWAC-OXJNMPFZSA-N 1 3 391.516 -0.647 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000518960609 1072969029 /nfs/dbraw/zinc/96/90/29/1072969029.db2.gz IWVHFIWIFLMWAC-OXQOHEQNSA-N 1 3 391.516 -0.647 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000518960610 1072969383 /nfs/dbraw/zinc/96/93/83/1072969383.db2.gz IWVHFIWIFLMWAC-UZLBHIALSA-N 1 3 391.516 -0.647 20 0 GBADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)CN1CCOCC1 ZINC000519007487 1072973323 /nfs/dbraw/zinc/97/33/23/1072973323.db2.gz VACAFWVZHRYRAE-INIZCTEOSA-N 1 3 383.537 -0.787 20 0 GBADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)CN1CCOCC1 ZINC000519007488 1072973379 /nfs/dbraw/zinc/97/33/79/1072973379.db2.gz VACAFWVZHRYRAE-MRXNPFEDSA-N 1 3 383.537 -0.787 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000519369860 1072995081 /nfs/dbraw/zinc/99/50/81/1072995081.db2.gz FBAVBCPTUNXETG-UHFFFAOYSA-N 1 3 379.461 -0.567 20 0 GBADHO C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000519477041 1073008270 /nfs/dbraw/zinc/00/82/70/1073008270.db2.gz JILNVELDLILNQG-INIZCTEOSA-N 1 3 391.516 -0.480 20 0 GBADHO C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000519477041 1073008261 /nfs/dbraw/zinc/00/82/61/1073008261.db2.gz JILNVELDLILNQG-INIZCTEOSA-N 1 3 391.516 -0.480 20 0 GBADHO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000519477042 1073008232 /nfs/dbraw/zinc/00/82/32/1073008232.db2.gz JILNVELDLILNQG-MRXNPFEDSA-N 1 3 391.516 -0.480 20 0 GBADHO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000519477042 1073008225 /nfs/dbraw/zinc/00/82/25/1073008225.db2.gz JILNVELDLILNQG-MRXNPFEDSA-N 1 3 391.516 -0.480 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000519587162 1073043418 /nfs/dbraw/zinc/04/34/18/1073043418.db2.gz VGHRKLROCQVFMH-UHFFFAOYSA-N 1 3 395.426 -0.829 20 0 GBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)CC(C)C ZINC000519650985 1073082881 /nfs/dbraw/zinc/08/28/81/1073082881.db2.gz PGCOIBKFWAWAAZ-ARFHVFGLSA-N 1 3 381.521 -0.371 20 0 GBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)CC(C)C ZINC000519651005 1073082945 /nfs/dbraw/zinc/08/29/45/1073082945.db2.gz PGCOIBKFWAWAAZ-HRCADAONSA-N 1 3 381.521 -0.371 20 0 GBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)CC(C)C ZINC000519651009 1073083172 /nfs/dbraw/zinc/08/31/72/1073083172.db2.gz PGCOIBKFWAWAAZ-JYJNAYRXSA-N 1 3 381.521 -0.371 20 0 GBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)CC(C)C ZINC000519651014 1073082994 /nfs/dbraw/zinc/08/29/94/1073082994.db2.gz PGCOIBKFWAWAAZ-XHSDSOJGSA-N 1 3 381.521 -0.371 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000520187252 1073108836 /nfs/dbraw/zinc/10/88/36/1073108836.db2.gz TVTUXCILBGVSDR-UHFFFAOYSA-N 1 3 377.493 -0.923 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000520416628 1073120685 /nfs/dbraw/zinc/12/06/85/1073120685.db2.gz MTZONRIKZNDKLS-BBWFWOEESA-N 1 3 393.532 -0.212 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000520416628 1073120681 /nfs/dbraw/zinc/12/06/81/1073120681.db2.gz MTZONRIKZNDKLS-BBWFWOEESA-N 1 3 393.532 -0.212 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000520416629 1073120409 /nfs/dbraw/zinc/12/04/09/1073120409.db2.gz MTZONRIKZNDKLS-IKGGRYGDSA-N 1 3 393.532 -0.212 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520416629 1073120403 /nfs/dbraw/zinc/12/04/03/1073120403.db2.gz MTZONRIKZNDKLS-IKGGRYGDSA-N 1 3 393.532 -0.212 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000520416630 1073120341 /nfs/dbraw/zinc/12/03/41/1073120341.db2.gz MTZONRIKZNDKLS-ULQDDVLXSA-N 1 3 393.532 -0.212 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520416630 1073120333 /nfs/dbraw/zinc/12/03/33/1073120333.db2.gz MTZONRIKZNDKLS-ULQDDVLXSA-N 1 3 393.532 -0.212 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000520416631 1073120631 /nfs/dbraw/zinc/12/06/31/1073120631.db2.gz MTZONRIKZNDKLS-ZACQAIPSSA-N 1 3 393.532 -0.212 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000520416631 1073120627 /nfs/dbraw/zinc/12/06/27/1073120627.db2.gz MTZONRIKZNDKLS-ZACQAIPSSA-N 1 3 393.532 -0.212 20 0 GBADHO CC[C@@H](O)CN1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000520884215 1073233963 /nfs/dbraw/zinc/23/39/63/1073233963.db2.gz PFBBWOAHFWAGBK-GOSISDBHSA-N 1 3 385.553 -0.525 20 0 GBADHO CC[C@H](O)CN1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000520884216 1073234179 /nfs/dbraw/zinc/23/41/79/1073234179.db2.gz PFBBWOAHFWAGBK-SFHVURJKSA-N 1 3 385.553 -0.525 20 0 GBADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000521080409 1073248666 /nfs/dbraw/zinc/24/86/66/1073248666.db2.gz MEQKPSNMFWLVCF-KRWDZBQOSA-N 1 3 395.548 -0.107 20 0 GBADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000521080410 1073248851 /nfs/dbraw/zinc/24/88/51/1073248851.db2.gz MEQKPSNMFWLVCF-QGZVFWFLSA-N 1 3 395.548 -0.107 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000521355875 1073266116 /nfs/dbraw/zinc/26/61/16/1073266116.db2.gz IWQOKXQAXAAZCP-UHFFFAOYSA-N 1 3 377.493 -0.923 20 0 GBADHO CC(=O)Nc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000521664144 1073274956 /nfs/dbraw/zinc/27/49/56/1073274956.db2.gz AUVNKCKZTGPHEN-UHFFFAOYSA-N 1 3 378.477 -0.392 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000521844775 1073279905 /nfs/dbraw/zinc/27/99/05/1073279905.db2.gz BZFDHVMUSYFUEF-HNNXBMFYSA-N 1 3 379.505 -0.471 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000521844776 1073279936 /nfs/dbraw/zinc/27/99/36/1073279936.db2.gz BZFDHVMUSYFUEF-OAHLLOKOSA-N 1 3 379.505 -0.471 20 0 GBADHO Cn1cc(S(N)(=O)=O)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522105313 1073294204 /nfs/dbraw/zinc/29/42/04/1073294204.db2.gz JCWLRJYGEHQJQF-UHFFFAOYSA-N 1 3 383.518 -0.039 20 0 GBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCN3CCCS3(=O)=O)CC2)CC1 ZINC000522409610 1073319084 /nfs/dbraw/zinc/31/90/84/1073319084.db2.gz JYTAAINZYIZYJW-UHFFFAOYSA-N 1 3 387.550 -0.120 20 0 GBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000523939935 1073570946 /nfs/dbraw/zinc/57/09/46/1073570946.db2.gz LVCORGULASLUMN-HNNXBMFYSA-N 1 3 387.550 -0.122 20 0 GBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000523939936 1073571199 /nfs/dbraw/zinc/57/11/99/1073571199.db2.gz LVCORGULASLUMN-OAHLLOKOSA-N 1 3 387.550 -0.122 20 0 GBADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000525882432 1073646002 /nfs/dbraw/zinc/64/60/02/1073646002.db2.gz QFIAMQBCAKTONL-UHFFFAOYSA-N 1 3 388.476 -0.139 20 0 GBADHO Cc1c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cccc1-n1cnnn1 ZINC000525882609 1073645710 /nfs/dbraw/zinc/64/57/10/1073645710.db2.gz KAGLXLZRCVQREC-UHFFFAOYSA-N 1 3 388.476 -0.139 20 0 GBADHO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525882645 1073645545 /nfs/dbraw/zinc/64/55/45/1073645545.db2.gz CMDAHHOCYAQQEW-UHFFFAOYSA-N 1 3 399.517 -0.515 20 0 GBADHO Cc1ccc(-n2nccc2NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000525882794 1073645594 /nfs/dbraw/zinc/64/55/94/1073645594.db2.gz GDXDBPGMKGFXLN-UHFFFAOYSA-N 1 3 388.476 -0.139 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000525882809 1073645910 /nfs/dbraw/zinc/64/59/10/1073645910.db2.gz JUIANUYANVUUGB-UHFFFAOYSA-N 1 3 392.439 -0.308 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000525882813 1073645780 /nfs/dbraw/zinc/64/57/80/1073645780.db2.gz LKWCSUSKZGTQPN-UHFFFAOYSA-N 1 3 392.504 -0.192 20 0 GBADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000525882826 1073646044 /nfs/dbraw/zinc/64/60/44/1073646044.db2.gz RHYKJCRUALTVBU-UHFFFAOYSA-N 1 3 399.517 -0.467 20 0 GBADHO Cc1nnnn1-c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525882890 1073645791 /nfs/dbraw/zinc/64/57/91/1073645791.db2.gz WOFSHGSIXMBHCF-UHFFFAOYSA-N 1 3 388.476 -0.139 20 0 GBADHO COc1ncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C(N)=O ZINC000526131648 1073657158 /nfs/dbraw/zinc/65/71/58/1073657158.db2.gz JQRPBLOXWXHELR-UHFFFAOYSA-N 1 3 380.449 -0.921 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000526131663 1073657358 /nfs/dbraw/zinc/65/73/58/1073657358.db2.gz WMXKPKVLEPXDMS-UHFFFAOYSA-N 1 3 385.490 -0.776 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000526131677 1073657143 /nfs/dbraw/zinc/65/71/43/1073657143.db2.gz AQLJEFSCPAHKCR-UHFFFAOYSA-N 1 3 378.477 -0.326 20 0 GBADHO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526132055 1073657228 /nfs/dbraw/zinc/65/72/28/1073657228.db2.gz KTLWTEXEOLRCMF-UHFFFAOYSA-N 1 3 393.488 -0.055 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000526132202 1073656910 /nfs/dbraw/zinc/65/69/10/1073656910.db2.gz DHINXWMVODVNHG-UHFFFAOYSA-N 1 3 396.513 -0.093 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000527123923 1073674699 /nfs/dbraw/zinc/67/46/99/1073674699.db2.gz IVUBQAYTXFOXCQ-UHFFFAOYSA-N 1 3 391.472 -0.068 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000527123960 1073674548 /nfs/dbraw/zinc/67/45/48/1073674548.db2.gz XEOIFOBDKNFZRU-UHFFFAOYSA-N 1 3 385.490 -0.625 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000527124098 1073674632 /nfs/dbraw/zinc/67/46/32/1073674632.db2.gz XJHCXQPMGDUMAB-UHFFFAOYSA-N 1 3 389.456 -0.197 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000527124120 1073674996 /nfs/dbraw/zinc/67/49/96/1073674996.db2.gz NLWYLLQZLKEFCW-UHFFFAOYSA-N 1 3 384.502 -0.020 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000527124237 1073674605 /nfs/dbraw/zinc/67/46/05/1073674605.db2.gz BUKSYCBTZBGMNY-UHFFFAOYSA-N 1 3 376.408 -0.088 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000527124251 1073674751 /nfs/dbraw/zinc/67/47/51/1073674751.db2.gz HREJNGYDIBFMOT-UHFFFAOYSA-N 1 3 390.488 -0.233 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000527373792 1073684024 /nfs/dbraw/zinc/68/40/24/1073684024.db2.gz CSOCDMTXKGQTLA-UHFFFAOYSA-N 1 3 377.445 -0.092 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000527373977 1073683888 /nfs/dbraw/zinc/68/38/88/1073683888.db2.gz BIXHRBXEVDDMFA-HNNXBMFYSA-N 1 3 380.493 -0.190 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000527373978 1073683990 /nfs/dbraw/zinc/68/39/90/1073683990.db2.gz BIXHRBXEVDDMFA-OAHLLOKOSA-N 1 3 380.493 -0.190 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000527374057 1073683962 /nfs/dbraw/zinc/68/39/62/1073683962.db2.gz MNNCDEAFQRHEQW-UHFFFAOYSA-N 1 3 384.502 -0.020 20 0 GBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1-n1cnnn1 ZINC000527374069 1073684057 /nfs/dbraw/zinc/68/40/57/1073684057.db2.gz UWBZRSCHOWZQJD-UHFFFAOYSA-N 1 3 388.476 -0.139 20 0 GBADHO COc1c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cccc1C(N)=O ZINC000527374149 1073683866 /nfs/dbraw/zinc/68/38/66/1073683866.db2.gz HIRCOLCJXBCZNV-UHFFFAOYSA-N 1 3 379.461 -0.316 20 0 GBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n(-c2ncccn2)n1 ZINC000527374338 1073683856 /nfs/dbraw/zinc/68/38/56/1073683856.db2.gz HAAOWOQPBXEVNC-UHFFFAOYSA-N 1 3 388.476 -0.139 20 0 GBADHO CNC(=O)NC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000527727362 1073694974 /nfs/dbraw/zinc/69/49/74/1073694974.db2.gz RBDQRFUQKMOWBH-KRWDZBQOSA-N 1 3 396.536 -0.116 20 0 GBADHO CNC(=O)NC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000527727378 1073695071 /nfs/dbraw/zinc/69/50/71/1073695071.db2.gz RBDQRFUQKMOWBH-QGZVFWFLSA-N 1 3 396.536 -0.116 20 0 GBADHO C[C@]1(CO)CN(CCOCC[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528752313 1073723096 /nfs/dbraw/zinc/72/30/96/1073723096.db2.gz OXMGTGNPRXLQSK-FGYAAKKASA-N 1 3 388.549 -0.371 20 0 GBADHO C[C@]1(CO)CN(CCOCC[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528752313 1073723093 /nfs/dbraw/zinc/72/30/93/1073723093.db2.gz OXMGTGNPRXLQSK-FGYAAKKASA-N 1 3 388.549 -0.371 20 0 GBADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)CC1 ZINC000529291695 1073731605 /nfs/dbraw/zinc/73/16/05/1073731605.db2.gz ZPOWWYZSPGSXBZ-UHFFFAOYSA-N 1 3 395.552 -0.635 20 0 GBADHO Cn1c2ncn(CCN3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000530240101 1073764561 /nfs/dbraw/zinc/76/45/61/1073764561.db2.gz KPBZNOKCWKOREJ-HNNXBMFYSA-N 1 3 390.488 -0.476 20 0 GBADHO Cn1c2ncn(CCN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000530240107 1073764727 /nfs/dbraw/zinc/76/47/27/1073764727.db2.gz KPBZNOKCWKOREJ-OAHLLOKOSA-N 1 3 390.488 -0.476 20 0 GBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000530814639 1073783453 /nfs/dbraw/zinc/78/34/53/1073783453.db2.gz WVIAZLAYYCKLQH-INIZCTEOSA-N 1 3 379.505 -0.837 20 0 GBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000530814640 1073783299 /nfs/dbraw/zinc/78/32/99/1073783299.db2.gz WVIAZLAYYCKLQH-MRXNPFEDSA-N 1 3 379.505 -0.837 20 0 GBADHO CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000531440450 1073808589 /nfs/dbraw/zinc/80/85/89/1073808589.db2.gz ZSQRSOGUVBHQCL-IBGZPJMESA-N 1 3 397.564 -0.121 20 0 GBADHO CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000531440453 1073808658 /nfs/dbraw/zinc/80/86/58/1073808658.db2.gz ZSQRSOGUVBHQCL-LJQANCHMSA-N 1 3 397.564 -0.121 20 0 GBADHO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1CCCC1 ZINC000532275362 1073834637 /nfs/dbraw/zinc/83/46/37/1073834637.db2.gz FTFWJAIGCKXJHH-AWEZNQCLSA-N 1 3 393.492 -0.900 20 0 GBADHO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N1CCCC1 ZINC000532275363 1073834709 /nfs/dbraw/zinc/83/47/09/1073834709.db2.gz FTFWJAIGCKXJHH-CQSZACIVSA-N 1 3 393.492 -0.900 20 0 GBADHO CS(=O)(=O)N[C@H]1CCN(CCCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583868 530298174 /nfs/dbraw/zinc/29/81/74/530298174.db2.gz ZMBZQVUIYMJMEN-GJZGRUSLSA-N 1 3 396.579 -0.596 20 0 GBADHO CS(=O)(=O)N[C@H]1CCN(CCCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583868 530298172 /nfs/dbraw/zinc/29/81/72/530298172.db2.gz ZMBZQVUIYMJMEN-GJZGRUSLSA-N 1 3 396.579 -0.596 20 0 GBADHO CS(=O)(=O)N[C@@H]1CCN(CCCCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000532583870 530298045 /nfs/dbraw/zinc/29/80/45/530298045.db2.gz ZMBZQVUIYMJMEN-HUUCEWRRSA-N 1 3 396.579 -0.596 20 0 GBADHO CS(=O)(=O)N[C@@H]1CCN(CCCCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000532583870 530298042 /nfs/dbraw/zinc/29/80/42/530298042.db2.gz ZMBZQVUIYMJMEN-HUUCEWRRSA-N 1 3 396.579 -0.596 20 0 GBADHO CNS(=O)(=O)CCCN(C)[C@H]1CCC[N@@H+](CCCS(=O)(=O)NC)CC1 ZINC000533147760 530361031 /nfs/dbraw/zinc/36/10/31/530361031.db2.gz UMSBTHGZKCRLSH-HNNXBMFYSA-N 1 3 398.595 -0.349 20 0 GBADHO CNS(=O)(=O)CCCN(C)[C@H]1CCC[N@H+](CCCS(=O)(=O)NC)CC1 ZINC000533147760 530361029 /nfs/dbraw/zinc/36/10/29/530361029.db2.gz UMSBTHGZKCRLSH-HNNXBMFYSA-N 1 3 398.595 -0.349 20 0 GBADHO CNS(=O)(=O)CCCN(C)[C@@H]1CCC[N@@H+](CCCS(=O)(=O)NC)CC1 ZINC000533147761 530361116 /nfs/dbraw/zinc/36/11/16/530361116.db2.gz UMSBTHGZKCRLSH-OAHLLOKOSA-N 1 3 398.595 -0.349 20 0 GBADHO CNS(=O)(=O)CCCN(C)[C@@H]1CCC[N@H+](CCCS(=O)(=O)NC)CC1 ZINC000533147761 530361114 /nfs/dbraw/zinc/36/11/14/530361114.db2.gz UMSBTHGZKCRLSH-OAHLLOKOSA-N 1 3 398.595 -0.349 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000533591388 530078096 /nfs/dbraw/zinc/07/80/96/530078096.db2.gz NMEYSHOTEJTQIJ-UHFFFAOYSA-N 1 3 377.555 -0.207 20 0 GBADHO CCS(=O)(=O)N1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000534601658 530268812 /nfs/dbraw/zinc/26/88/12/530268812.db2.gz PVIKKEQCIFVUHR-UHFFFAOYSA-N 1 3 377.555 -0.065 20 0 GBADHO CS(=O)(=O)N[C@H]1CCN(CCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724254 530285305 /nfs/dbraw/zinc/28/53/05/530285305.db2.gz HXNRQXFIWAWASN-KBPBESRZSA-N 1 3 382.552 -0.986 20 0 GBADHO CS(=O)(=O)N[C@H]1CCN(CCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724254 530285303 /nfs/dbraw/zinc/28/53/03/530285303.db2.gz HXNRQXFIWAWASN-KBPBESRZSA-N 1 3 382.552 -0.986 20 0 GBADHO CS(=O)(=O)N[C@@H]1CC[N@H+](CCCCN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285102 /nfs/dbraw/zinc/28/51/02/530285102.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 1 3 382.552 -0.986 20 0 GBADHO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCCN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285101 /nfs/dbraw/zinc/28/51/01/530285101.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 1 3 382.552 -0.986 20 0 GBADHO CS(=O)(=O)N[C@@H]1CCN(CCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285099 /nfs/dbraw/zinc/28/50/99/530285099.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 1 3 382.552 -0.986 20 0 GBADHO CS(=O)(=O)N[C@@H]1CCN(CCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285097 /nfs/dbraw/zinc/28/50/97/530285097.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 1 3 382.552 -0.986 20 0 GBADHO CS(=O)(=O)N[C@@H]1CCN(CCCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000535724268 530285330 /nfs/dbraw/zinc/28/53/30/530285330.db2.gz HXNRQXFIWAWASN-ZIAGYGMSSA-N 1 3 382.552 -0.986 20 0 GBADHO CS(=O)(=O)N[C@@H]1CCN(CCCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000535724268 530285328 /nfs/dbraw/zinc/28/53/28/530285328.db2.gz HXNRQXFIWAWASN-ZIAGYGMSSA-N 1 3 382.552 -0.986 20 0 GBADHO CO[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](OC)C3)CC2)C1 ZINC000536599257 1073948531 /nfs/dbraw/zinc/94/85/31/1073948531.db2.gz PJGQUTCHULEANV-HDICACEKSA-N 1 3 396.532 -0.121 20 0 GBADHO CO[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](OC)C3)CC2)C1 ZINC000536599257 1073948528 /nfs/dbraw/zinc/94/85/28/1073948528.db2.gz PJGQUTCHULEANV-HDICACEKSA-N 1 3 396.532 -0.121 20 0 GBADHO CO[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)CN3CCC[C@H](OC)C3)CC2)C1 ZINC000536599257 1073948523 /nfs/dbraw/zinc/94/85/23/1073948523.db2.gz PJGQUTCHULEANV-HDICACEKSA-N 1 3 396.532 -0.121 20 0 GBADHO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)CN3CCC[C@H](OC)C3)CC2)C1 ZINC000536599257 1073948516 /nfs/dbraw/zinc/94/85/16/1073948516.db2.gz PJGQUTCHULEANV-HDICACEKSA-N 1 3 396.532 -0.121 20 0 GBADHO C[C@@]1(CO)CCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000544759727 1073719232 /nfs/dbraw/zinc/71/92/32/1073719232.db2.gz QTWNBXCUCJTNGZ-PMACEKPBSA-N 1 3 396.532 -0.649 20 0 GBADHO C[C@@]1(CO)CCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000544759727 1073719220 /nfs/dbraw/zinc/71/92/20/1073719220.db2.gz QTWNBXCUCJTNGZ-PMACEKPBSA-N 1 3 396.532 -0.649 20 0 GBADHO C[C@]1(CO)CCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000544759728 1073718547 /nfs/dbraw/zinc/71/85/47/1073718547.db2.gz QTWNBXCUCJTNGZ-WOJBJXKFSA-N 1 3 396.532 -0.649 20 0 GBADHO C[C@]1(CO)CCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000544759728 1073718541 /nfs/dbraw/zinc/71/85/41/1073718541.db2.gz QTWNBXCUCJTNGZ-WOJBJXKFSA-N 1 3 396.532 -0.649 20 0 GBADHO CC[C@]1(O)CCN(CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@](O)(CC)C3)CC2)C1 ZINC000548630052 1072300803 /nfs/dbraw/zinc/30/08/03/1072300803.db2.gz WRBVKHZPGHUIKU-PMACEKPBSA-N 1 3 396.532 -0.649 20 0 GBADHO CC[C@]1(O)CCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@](O)(CC)C3)CC2)C1 ZINC000548630052 1072300794 /nfs/dbraw/zinc/30/07/94/1072300794.db2.gz WRBVKHZPGHUIKU-PMACEKPBSA-N 1 3 396.532 -0.649 20 0 GBADHO CC[C@@]1(O)CCN(CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@](O)(CC)C3)CC2)C1 ZINC000548630053 1072300531 /nfs/dbraw/zinc/30/05/31/1072300531.db2.gz WRBVKHZPGHUIKU-WOJBJXKFSA-N 1 3 396.532 -0.649 20 0 GBADHO CC[C@@]1(O)CCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](O)(CC)C3)CC2)C1 ZINC000548630053 1072300516 /nfs/dbraw/zinc/30/05/16/1072300516.db2.gz WRBVKHZPGHUIKU-WOJBJXKFSA-N 1 3 396.532 -0.649 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000548800978 1072477711 /nfs/dbraw/zinc/47/77/11/1072477711.db2.gz JCXVZDOIJBFSDU-INIZCTEOSA-N 1 3 393.536 -0.543 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000548800979 1072477758 /nfs/dbraw/zinc/47/77/58/1072477758.db2.gz JCXVZDOIJBFSDU-MRXNPFEDSA-N 1 3 393.536 -0.543 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000548942299 530486439 /nfs/dbraw/zinc/48/64/39/530486439.db2.gz UPPKBLXCRCMYPZ-CABCVRRESA-N 1 3 377.555 -0.161 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000548942300 530486734 /nfs/dbraw/zinc/48/67/34/530486734.db2.gz UPPKBLXCRCMYPZ-GJZGRUSLSA-N 1 3 377.555 -0.161 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000548942301 530486523 /nfs/dbraw/zinc/48/65/23/530486523.db2.gz UPPKBLXCRCMYPZ-HUUCEWRRSA-N 1 3 377.555 -0.161 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000548942302 530486585 /nfs/dbraw/zinc/48/65/85/530486585.db2.gz UPPKBLXCRCMYPZ-LSDHHAIUSA-N 1 3 377.555 -0.161 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)NCCCN1CCOCC1)N1CC[NH+](C)CC1 ZINC000549882576 1073890393 /nfs/dbraw/zinc/89/03/93/1073890393.db2.gz RDTDVCUDPWSDQN-KRWDZBQOSA-N 1 3 383.537 -0.787 20 0 GBADHO CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCOCC1)N1CC[NH+](C)CC1 ZINC000549882579 1073889756 /nfs/dbraw/zinc/88/97/56/1073889756.db2.gz RDTDVCUDPWSDQN-QGZVFWFLSA-N 1 3 383.537 -0.787 20 0 GBADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000549967247 1072585065 /nfs/dbraw/zinc/58/50/65/1072585065.db2.gz IOJNKNXQOMOGEH-KRWDZBQOSA-N 1 3 395.548 -0.014 20 0 GBADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000549967248 1072584931 /nfs/dbraw/zinc/58/49/31/1072584931.db2.gz IOJNKNXQOMOGEH-QGZVFWFLSA-N 1 3 395.548 -0.014 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000550189276 1073028668 /nfs/dbraw/zinc/02/86/68/1073028668.db2.gz 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0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000550296045 1073078021 /nfs/dbraw/zinc/07/80/21/1073078021.db2.gz FDVQUNGUMSOAFP-UHFFFAOYSA-N 1 3 391.516 -0.044 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000550322154 1073109590 /nfs/dbraw/zinc/10/95/90/1073109590.db2.gz ZHSJYUCOCQOXRC-UHFFFAOYSA-N 1 3 393.532 -0.258 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550362690 1073126295 /nfs/dbraw/zinc/12/62/95/1073126295.db2.gz APAMMDLQBSALHN-UHFFFAOYSA-N 1 3 395.548 -0.012 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550378044 1073126845 /nfs/dbraw/zinc/12/68/45/1073126845.db2.gz NRMOFMAEBGHJEG-UHFFFAOYSA-N 1 3 395.548 -0.010 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)N1CCN(C)CC1 ZINC000550381727 1073129481 /nfs/dbraw/zinc/12/94/81/1073129481.db2.gz MAAAFALKEDCOSZ-JQHSSLGASA-N 1 3 379.549 -0.027 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)N1CCN(C)CC1 ZINC000550381727 1073129474 /nfs/dbraw/zinc/12/94/74/1073129474.db2.gz MAAAFALKEDCOSZ-JQHSSLGASA-N 1 3 379.549 -0.027 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1CCN(C)CC1 ZINC000550381729 1073129053 /nfs/dbraw/zinc/12/90/53/1073129053.db2.gz MAAAFALKEDCOSZ-NJAFHUGGSA-N 1 3 379.549 -0.027 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CCN(C)CC1 ZINC000550381729 1073129046 /nfs/dbraw/zinc/12/90/46/1073129046.db2.gz MAAAFALKEDCOSZ-NJAFHUGGSA-N 1 3 379.549 -0.027 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)N1CCN(C)CC1 ZINC000550381730 1073128740 /nfs/dbraw/zinc/12/87/40/1073128740.db2.gz MAAAFALKEDCOSZ-NXHRZFHOSA-N 1 3 379.549 -0.027 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CCN(C)CC1 ZINC000550381730 1073128739 /nfs/dbraw/zinc/12/87/39/1073128739.db2.gz MAAAFALKEDCOSZ-NXHRZFHOSA-N 1 3 379.549 -0.027 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)N1CCN(C)CC1 ZINC000550381731 1073129203 /nfs/dbraw/zinc/12/92/03/1073129203.db2.gz MAAAFALKEDCOSZ-SZMVWBNQSA-N 1 3 379.549 -0.027 20 0 GBADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)N1CCN(C)CC1 ZINC000550381731 1073129201 /nfs/dbraw/zinc/12/92/01/1073129201.db2.gz MAAAFALKEDCOSZ-SZMVWBNQSA-N 1 3 379.549 -0.027 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000550432699 1073195438 /nfs/dbraw/zinc/19/54/38/1073195438.db2.gz KEDMZKPSSIVPSA-UHFFFAOYSA-N 1 3 379.509 -0.428 20 0 GBADHO CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000550456024 1073249693 /nfs/dbraw/zinc/24/96/93/1073249693.db2.gz QJQJGMFIFFQLNW-GOSISDBHSA-N 1 3 397.564 -0.397 20 0 GBADHO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000550456025 1073249491 /nfs/dbraw/zinc/24/94/91/1073249491.db2.gz QJQJGMFIFFQLNW-SFHVURJKSA-N 1 3 397.564 -0.397 20 0 GBADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000550482846 1073299508 /nfs/dbraw/zinc/29/95/08/1073299508.db2.gz JOXPMRLYLYWRMU-UHFFFAOYSA-N 1 3 395.548 -0.548 20 0 GBADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000550490388 1073300370 /nfs/dbraw/zinc/30/03/70/1073300370.db2.gz ZHMHFLZRYQWJFI-UHFFFAOYSA-N 1 3 393.532 -0.256 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550492925 1073300020 /nfs/dbraw/zinc/30/00/20/1073300020.db2.gz AANYYAFJVNLQOK-UHFFFAOYSA-N 1 3 393.532 -0.255 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550495436 1073300799 /nfs/dbraw/zinc/30/07/99/1073300799.db2.gz SRHMLWVYKNPYBP-UHFFFAOYSA-N 1 3 395.548 -0.009 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000554615801 530493781 /nfs/dbraw/zinc/49/37/81/530493781.db2.gz RBAXUVCMIFSDPT-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000554615802 530493749 /nfs/dbraw/zinc/49/37/49/530493749.db2.gz RBAXUVCMIFSDPT-OAHLLOKOSA-N 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CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000563240527 530202727 /nfs/dbraw/zinc/20/27/27/530202727.db2.gz NCYBWNGNYPXZDV-HNNXBMFYSA-N 1 3 377.555 -0.401 20 0 GBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000563240527 530202725 /nfs/dbraw/zinc/20/27/25/530202725.db2.gz NCYBWNGNYPXZDV-HNNXBMFYSA-N 1 3 377.555 -0.401 20 0 GBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000563240528 530203015 /nfs/dbraw/zinc/20/30/15/530203015.db2.gz NCYBWNGNYPXZDV-OAHLLOKOSA-N 1 3 377.555 -0.401 20 0 GBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000563240528 530203013 /nfs/dbraw/zinc/20/30/13/530203013.db2.gz NCYBWNGNYPXZDV-OAHLLOKOSA-N 1 3 377.555 -0.401 20 0 GBADHO NS(=O)(=O)C[C@@H]1CCCN1CCCCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000564468763 530495130 /nfs/dbraw/zinc/49/51/30/530495130.db2.gz KFBTXYUTVBXVGD-GJZGRUSLSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)C[C@@H]1CCCN1CCCCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000564468763 530495127 /nfs/dbraw/zinc/49/51/27/530495127.db2.gz KFBTXYUTVBXVGD-GJZGRUSLSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)C[C@H]1CCCN1CCCCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000564468764 530495357 /nfs/dbraw/zinc/49/53/57/530495357.db2.gz KFBTXYUTVBXVGD-HUUCEWRRSA-N 1 3 396.579 -0.338 20 0 GBADHO NS(=O)(=O)C[C@H]1CCCN1CCCCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000564468764 530495355 /nfs/dbraw/zinc/49/53/55/530495355.db2.gz KFBTXYUTVBXVGD-HUUCEWRRSA-N 1 3 396.579 -0.338 20 0 GBADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000569624944 1072445505 /nfs/dbraw/zinc/44/55/05/1072445505.db2.gz BDXHJOANVPTBFY-MSOLQXFVSA-N 1 3 399.495 -0.331 20 0 GBADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000569624946 1072445641 /nfs/dbraw/zinc/44/56/41/1072445641.db2.gz BDXHJOANVPTBFY-QZTJIDSGSA-N 1 3 399.495 -0.331 20 0 GBADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000569624948 1072445165 /nfs/dbraw/zinc/44/51/65/1072445165.db2.gz BDXHJOANVPTBFY-ROUUACIJSA-N 1 3 399.495 -0.331 20 0 GBADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000569624949 1072444996 /nfs/dbraw/zinc/44/49/96/1072444996.db2.gz BDXHJOANVPTBFY-ZWKOTPCHSA-N 1 3 399.495 -0.331 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000569893545 1072812521 /nfs/dbraw/zinc/81/25/21/1072812521.db2.gz GEISKGROIDRLKD-UHFFFAOYSA-N 1 3 391.472 -0.068 20 0 GBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000570177523 1072846357 /nfs/dbraw/zinc/84/63/57/1072846357.db2.gz UHOCAQPTIJCWMQ-DLBZAZTESA-N 1 3 393.532 -0.448 20 0 GBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000570177523 1072846344 /nfs/dbraw/zinc/84/63/44/1072846344.db2.gz UHOCAQPTIJCWMQ-DLBZAZTESA-N 1 3 393.532 -0.448 20 0 GBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000570177526 1072847413 /nfs/dbraw/zinc/84/74/13/1072847413.db2.gz UHOCAQPTIJCWMQ-SJORKVTESA-N 1 3 393.532 -0.448 20 0 GBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000570177526 1072847396 /nfs/dbraw/zinc/84/73/96/1072847396.db2.gz UHOCAQPTIJCWMQ-SJORKVTESA-N 1 3 393.532 -0.448 20 0 GBADHO CN(C)S(=O)(=O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000574564836 530508160 /nfs/dbraw/zinc/50/81/60/530508160.db2.gz GPKJITUAILWLHV-UHFFFAOYSA-N 1 3 375.539 -0.264 20 0 GBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000579735678 1072132616 /nfs/dbraw/zinc/13/26/16/1072132616.db2.gz LBBUSDNBJZCANN-UHFFFAOYSA-N 1 3 395.548 -0.059 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000579805991 1072152213 /nfs/dbraw/zinc/15/22/13/1072152213.db2.gz QEFZZPQVIJJUFK-INIZCTEOSA-N 1 3 381.521 -0.448 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000579805992 1072152222 /nfs/dbraw/zinc/15/22/22/1072152222.db2.gz QEFZZPQVIJJUFK-MRXNPFEDSA-N 1 3 381.521 -0.448 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000579956188 1072326557 /nfs/dbraw/zinc/32/65/57/1072326557.db2.gz FCIBXMHJNPDUBL-UHFFFAOYSA-N 1 3 376.505 -0.026 20 0 GBADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000579973690 1072337171 /nfs/dbraw/zinc/33/71/71/1072337171.db2.gz HONRPMRAVFUKBX-CVEARBPZSA-N 1 3 377.489 -0.720 20 0 GBADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000579973691 1072337224 /nfs/dbraw/zinc/33/72/24/1072337224.db2.gz HONRPMRAVFUKBX-HOTGVXAUSA-N 1 3 377.489 -0.720 20 0 GBADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000579973692 1072337327 /nfs/dbraw/zinc/33/73/27/1072337327.db2.gz HONRPMRAVFUKBX-HZPDHXFCSA-N 1 3 377.489 -0.720 20 0 GBADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000579973693 1072337567 /nfs/dbraw/zinc/33/75/67/1072337567.db2.gz HONRPMRAVFUKBX-JKSUJKDBSA-N 1 3 377.489 -0.720 20 0 GBADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990210 1072343835 /nfs/dbraw/zinc/34/38/35/1072343835.db2.gz RYZJMNBZQYWYCS-DLBZAZTESA-N 1 3 395.548 -0.107 20 0 GBADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990210 1072343828 /nfs/dbraw/zinc/34/38/28/1072343828.db2.gz RYZJMNBZQYWYCS-DLBZAZTESA-N 1 3 395.548 -0.107 20 0 GBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990211 1072343748 /nfs/dbraw/zinc/34/37/48/1072343748.db2.gz RYZJMNBZQYWYCS-IAGOWNOFSA-N 1 3 395.548 -0.107 20 0 GBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990211 1072343740 /nfs/dbraw/zinc/34/37/40/1072343740.db2.gz RYZJMNBZQYWYCS-IAGOWNOFSA-N 1 3 395.548 -0.107 20 0 GBADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990212 1072343953 /nfs/dbraw/zinc/34/39/53/1072343953.db2.gz RYZJMNBZQYWYCS-IRXDYDNUSA-N 1 3 395.548 -0.107 20 0 GBADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990212 1072343947 /nfs/dbraw/zinc/34/39/47/1072343947.db2.gz RYZJMNBZQYWYCS-IRXDYDNUSA-N 1 3 395.548 -0.107 20 0 GBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990213 1072343617 /nfs/dbraw/zinc/34/36/17/1072343617.db2.gz RYZJMNBZQYWYCS-SJORKVTESA-N 1 3 395.548 -0.107 20 0 GBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990213 1072343605 /nfs/dbraw/zinc/34/36/05/1072343605.db2.gz RYZJMNBZQYWYCS-SJORKVTESA-N 1 3 395.548 -0.107 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000580222493 1072437743 /nfs/dbraw/zinc/43/77/43/1072437743.db2.gz AWUTYQIGNIHEBN-KRWDZBQOSA-N 1 3 395.548 -0.153 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000580222495 1072437904 /nfs/dbraw/zinc/43/79/04/1072437904.db2.gz AWUTYQIGNIHEBN-QGZVFWFLSA-N 1 3 395.548 -0.153 20 0 GBADHO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000580416154 1072460161 /nfs/dbraw/zinc/46/01/61/1072460161.db2.gz YXUHISMLUXTQBH-BRWVUGGUSA-N 1 3 395.548 -0.073 20 0 GBADHO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000580416154 1072460160 /nfs/dbraw/zinc/46/01/60/1072460160.db2.gz YXUHISMLUXTQBH-BRWVUGGUSA-N 1 3 395.548 -0.073 20 0 GBADHO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000580416155 1072460189 /nfs/dbraw/zinc/46/01/89/1072460189.db2.gz YXUHISMLUXTQBH-IKGGRYGDSA-N 1 3 395.548 -0.073 20 0 GBADHO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000580416155 1072460188 /nfs/dbraw/zinc/46/01/88/1072460188.db2.gz YXUHISMLUXTQBH-IKGGRYGDSA-N 1 3 395.548 -0.073 20 0 GBADHO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000580416156 1072460080 /nfs/dbraw/zinc/46/00/80/1072460080.db2.gz YXUHISMLUXTQBH-IXDOHACOSA-N 1 3 395.548 -0.073 20 0 GBADHO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000580416156 1072460077 /nfs/dbraw/zinc/46/00/77/1072460077.db2.gz YXUHISMLUXTQBH-IXDOHACOSA-N 1 3 395.548 -0.073 20 0 GBADHO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000580416157 1072460144 /nfs/dbraw/zinc/46/01/44/1072460144.db2.gz YXUHISMLUXTQBH-ZACQAIPSSA-N 1 3 395.548 -0.073 20 0 GBADHO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](C)C1 ZINC000580416157 1072460142 /nfs/dbraw/zinc/46/01/42/1072460142.db2.gz YXUHISMLUXTQBH-ZACQAIPSSA-N 1 3 395.548 -0.073 20 0 GBADHO CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)C[C@@H]1O ZINC000580447814 1072462572 /nfs/dbraw/zinc/46/25/72/1072462572.db2.gz SHYMDXUXRIVRNG-QQCJEOGWSA-N 1 3 396.532 -0.941 20 0 GBADHO COCC[NH2+]C1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000580562076 1072473040 /nfs/dbraw/zinc/47/30/40/1072473040.db2.gz LCNLDJCPBQBVQL-UHFFFAOYSA-N 1 3 383.537 -0.644 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000580700437 1072481244 /nfs/dbraw/zinc/48/12/44/1072481244.db2.gz HIJLHELXNHWTTD-DLBZAZTESA-N 1 3 391.516 -0.552 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000580700438 1072481582 /nfs/dbraw/zinc/48/15/82/1072481582.db2.gz HIJLHELXNHWTTD-IAGOWNOFSA-N 1 3 391.516 -0.552 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000580700439 1072481229 /nfs/dbraw/zinc/48/12/29/1072481229.db2.gz HIJLHELXNHWTTD-IRXDYDNUSA-N 1 3 391.516 -0.552 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000580700440 1072481439 /nfs/dbraw/zinc/48/14/39/1072481439.db2.gz HIJLHELXNHWTTD-SJORKVTESA-N 1 3 391.516 -0.552 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000580760083 1072493075 /nfs/dbraw/zinc/49/30/75/1072493075.db2.gz LMVPAGBTBLUODI-HNNXBMFYSA-N 1 3 382.509 -0.999 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000580760085 1072493121 /nfs/dbraw/zinc/49/31/21/1072493121.db2.gz LMVPAGBTBLUODI-OAHLLOKOSA-N 1 3 382.509 -0.999 20 0 GBADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580904127 1072512440 /nfs/dbraw/zinc/51/24/40/1072512440.db2.gz CYUYJXFTKDQUAT-KBPBESRZSA-N 1 3 389.456 -0.534 20 0 GBADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580904128 1072511844 /nfs/dbraw/zinc/51/18/44/1072511844.db2.gz CYUYJXFTKDQUAT-KGLIPLIRSA-N 1 3 389.456 -0.534 20 0 GBADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580904129 1072511731 /nfs/dbraw/zinc/51/17/31/1072511731.db2.gz CYUYJXFTKDQUAT-UONOGXRCSA-N 1 3 389.456 -0.534 20 0 GBADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580904130 1072512103 /nfs/dbraw/zinc/51/21/03/1072512103.db2.gz CYUYJXFTKDQUAT-ZIAGYGMSSA-N 1 3 389.456 -0.534 20 0 GBADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000581013819 1072531312 /nfs/dbraw/zinc/53/13/12/1072531312.db2.gz DWAJYJTVZMUDFN-HNNXBMFYSA-N 1 3 387.550 -0.122 20 0 GBADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000581013824 1072530500 /nfs/dbraw/zinc/53/05/00/1072530500.db2.gz DWAJYJTVZMUDFN-OAHLLOKOSA-N 1 3 387.550 -0.122 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@]2(CCCOC2)O1 ZINC000581117532 1072538602 /nfs/dbraw/zinc/53/86/02/1072538602.db2.gz ZXQBDIJFZOBQNF-APWZRJJASA-N 1 3 384.521 -0.265 20 0 GBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@]2(CCCOC2)O1 ZINC000581117533 1072538504 /nfs/dbraw/zinc/53/85/04/1072538504.db2.gz ZXQBDIJFZOBQNF-LPHOPBHVSA-N 1 3 384.521 -0.265 20 0 GBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]2(CCCOC2)O1 ZINC000581117534 1072538351 /nfs/dbraw/zinc/53/83/51/1072538351.db2.gz ZXQBDIJFZOBQNF-QFBILLFUSA-N 1 3 384.521 -0.265 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]2(CCCOC2)O1 ZINC000581117535 1072538244 /nfs/dbraw/zinc/53/82/44/1072538244.db2.gz ZXQBDIJFZOBQNF-VQIMIIECSA-N 1 3 384.521 -0.265 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000581117596 1072538386 /nfs/dbraw/zinc/53/83/86/1072538386.db2.gz PBMGVTVJLAGDDR-KRWDZBQOSA-N 1 3 391.472 -0.198 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000581117597 1072538080 /nfs/dbraw/zinc/53/80/80/1072538080.db2.gz PBMGVTVJLAGDDR-QGZVFWFLSA-N 1 3 391.472 -0.198 20 0 GBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000581304734 1072562666 /nfs/dbraw/zinc/56/26/66/1072562666.db2.gz GKIVZQFMYHYSKR-CVEARBPZSA-N 1 3 379.505 -0.471 20 0 GBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000581304735 1072562075 /nfs/dbraw/zinc/56/20/75/1072562075.db2.gz GKIVZQFMYHYSKR-HOTGVXAUSA-N 1 3 379.505 -0.471 20 0 GBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000581304736 1072562694 /nfs/dbraw/zinc/56/26/94/1072562694.db2.gz GKIVZQFMYHYSKR-HZPDHXFCSA-N 1 3 379.505 -0.471 20 0 GBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000581304737 1072562680 /nfs/dbraw/zinc/56/26/80/1072562680.db2.gz GKIVZQFMYHYSKR-JKSUJKDBSA-N 1 3 379.505 -0.471 20 0 GBADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000581322052 1072564846 /nfs/dbraw/zinc/56/48/46/1072564846.db2.gz INMZKOWEHPWSPV-MSOLQXFVSA-N 1 3 399.495 -0.331 20 0 GBADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000581322053 1072565455 /nfs/dbraw/zinc/56/54/55/1072565455.db2.gz INMZKOWEHPWSPV-QZTJIDSGSA-N 1 3 399.495 -0.331 20 0 GBADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000581322054 1072564918 /nfs/dbraw/zinc/56/49/18/1072564918.db2.gz INMZKOWEHPWSPV-ROUUACIJSA-N 1 3 399.495 -0.331 20 0 GBADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000581322055 1072565060 /nfs/dbraw/zinc/56/50/60/1072565060.db2.gz INMZKOWEHPWSPV-ZWKOTPCHSA-N 1 3 399.495 -0.331 20 0 GBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000581440573 1072587330 /nfs/dbraw/zinc/58/73/30/1072587330.db2.gz LMHQOGVDUGCNEB-BZUAXINKSA-N 1 3 379.505 -0.615 20 0 GBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000581440573 1072587319 /nfs/dbraw/zinc/58/73/19/1072587319.db2.gz LMHQOGVDUGCNEB-BZUAXINKSA-N 1 3 379.505 -0.615 20 0 GBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000581440574 1072586828 /nfs/dbraw/zinc/58/68/28/1072586828.db2.gz LMHQOGVDUGCNEB-OAGGEKHMSA-N 1 3 379.505 -0.615 20 0 GBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000581440574 1072586821 /nfs/dbraw/zinc/58/68/21/1072586821.db2.gz LMHQOGVDUGCNEB-OAGGEKHMSA-N 1 3 379.505 -0.615 20 0 GBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000581440575 1072587042 /nfs/dbraw/zinc/58/70/42/1072587042.db2.gz LMHQOGVDUGCNEB-OWCLPIDISA-N 1 3 379.505 -0.615 20 0 GBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000581440575 1072587035 /nfs/dbraw/zinc/58/70/35/1072587035.db2.gz LMHQOGVDUGCNEB-OWCLPIDISA-N 1 3 379.505 -0.615 20 0 GBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000581440576 1072586762 /nfs/dbraw/zinc/58/67/62/1072586762.db2.gz LMHQOGVDUGCNEB-PMPSAXMXSA-N 1 3 379.505 -0.615 20 0 GBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000581440576 1072586753 /nfs/dbraw/zinc/58/67/53/1072586753.db2.gz LMHQOGVDUGCNEB-PMPSAXMXSA-N 1 3 379.505 -0.615 20 0 GBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCSC1 ZINC000581478958 1072596737 /nfs/dbraw/zinc/59/67/37/1072596737.db2.gz FRVXOVJTQFVKKP-VCBZYWHSSA-N 1 3 396.557 -0.233 20 0 GBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCSC1 ZINC000581478959 1072596637 /nfs/dbraw/zinc/59/66/37/1072596637.db2.gz FRVXOVJTQFVKKP-ZRGWGRIASA-N 1 3 396.557 -0.233 20 0 GBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000581695536 1072157191 /nfs/dbraw/zinc/15/71/91/1072157191.db2.gz OOFXMBHIHBQVKB-CVEARBPZSA-N 1 3 381.521 -0.402 20 0 GBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000581695537 1072157214 /nfs/dbraw/zinc/15/72/14/1072157214.db2.gz OOFXMBHIHBQVKB-HZPDHXFCSA-N 1 3 381.521 -0.402 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000582083229 1072310794 /nfs/dbraw/zinc/31/07/94/1072310794.db2.gz NKVKKWBQDXYMQW-HNNXBMFYSA-N 1 3 394.495 -0.133 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000582083230 1072311122 /nfs/dbraw/zinc/31/11/22/1072311122.db2.gz NKVKKWBQDXYMQW-OAHLLOKOSA-N 1 3 394.495 -0.133 20 0 GBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000582202085 1073319660 /nfs/dbraw/zinc/31/96/60/1073319660.db2.gz TZIRAEDJTHIPOC-UHFFFAOYSA-N 1 3 381.521 -0.399 20 0 GBADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000582202085 1073319650 /nfs/dbraw/zinc/31/96/50/1073319650.db2.gz TZIRAEDJTHIPOC-UHFFFAOYSA-N 1 3 381.521 -0.399 20 0 GBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@H](C[NH3+])C3(C1)CCOCC3)c(=O)n2C ZINC000582363159 1072341866 /nfs/dbraw/zinc/34/18/66/1072341866.db2.gz LEAATAHBOWNCNB-AWEZNQCLSA-N 1 3 390.488 -0.489 20 0 GBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H](C[NH3+])C3(C1)CCOCC3)c(=O)n2C ZINC000582363160 1072341759 /nfs/dbraw/zinc/34/17/59/1072341759.db2.gz LEAATAHBOWNCNB-CQSZACIVSA-N 1 3 390.488 -0.489 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000582376366 1072343744 /nfs/dbraw/zinc/34/37/44/1072343744.db2.gz MUNDSNQNDWZXFB-UHFFFAOYSA-N 1 3 397.564 -0.302 20 0 GBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000582558029 1072367501 /nfs/dbraw/zinc/36/75/01/1072367501.db2.gz CKUFXCWVWXXXPY-UHFFFAOYSA-N 1 3 383.537 -0.108 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000582564062 1072368181 /nfs/dbraw/zinc/36/81/81/1072368181.db2.gz HPNRVTKLRLYTRY-KRWDZBQOSA-N 1 3 389.500 -0.140 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000582564063 1072368249 /nfs/dbraw/zinc/36/82/49/1072368249.db2.gz HPNRVTKLRLYTRY-QGZVFWFLSA-N 1 3 389.500 -0.140 20 0 GBADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@]2(CCOC2)O1 ZINC000582711569 1072390197 /nfs/dbraw/zinc/39/01/97/1072390197.db2.gz BUZPURZCESLUQA-APWZRJJASA-N 1 3 384.521 -0.265 20 0 GBADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@]2(CCOC2)O1 ZINC000582711570 1072390404 /nfs/dbraw/zinc/39/04/04/1072390404.db2.gz BUZPURZCESLUQA-LPHOPBHVSA-N 1 3 384.521 -0.265 20 0 GBADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC000582711571 1072390284 /nfs/dbraw/zinc/39/02/84/1072390284.db2.gz BUZPURZCESLUQA-QFBILLFUSA-N 1 3 384.521 -0.265 20 0 GBADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC000582711572 1072390417 /nfs/dbraw/zinc/39/04/17/1072390417.db2.gz BUZPURZCESLUQA-VQIMIIECSA-N 1 3 384.521 -0.265 20 0 GBADHO O[C@@H](CN1CCC[C@H](N2CCOCC2)C1)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000582733322 1072393082 /nfs/dbraw/zinc/39/30/82/1072393082.db2.gz AEQQTSMZXXSQHG-WKCHPHFGSA-N 1 3 396.576 -0.060 20 0 GBADHO O[C@@H](CN1CCC[C@H](N2CCOCC2)C1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000582733322 1072393072 /nfs/dbraw/zinc/39/30/72/1072393072.db2.gz AEQQTSMZXXSQHG-WKCHPHFGSA-N 1 3 396.576 -0.060 20 0 GBADHO O[C@H](CN1CCC[C@@H](N2CCOCC2)C1)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000582733322 1072393062 /nfs/dbraw/zinc/39/30/62/1072393062.db2.gz AEQQTSMZXXSQHG-WKCHPHFGSA-N 1 3 396.576 -0.060 20 0 GBADHO O[C@H](CN1CCC[C@@H](N2CCOCC2)C1)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000582733322 1072393050 /nfs/dbraw/zinc/39/30/50/1072393050.db2.gz AEQQTSMZXXSQHG-WKCHPHFGSA-N 1 3 396.576 -0.060 20 0 GBADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737510 1072394742 /nfs/dbraw/zinc/39/47/42/1072394742.db2.gz FSIOFHFHAUKKAZ-FGTMMUONSA-N 1 3 399.495 -0.605 20 0 GBADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737510 1072394731 /nfs/dbraw/zinc/39/47/31/1072394731.db2.gz FSIOFHFHAUKKAZ-FGTMMUONSA-N 1 3 399.495 -0.605 20 0 GBADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737511 1072394918 /nfs/dbraw/zinc/39/49/18/1072394918.db2.gz FSIOFHFHAUKKAZ-KZNAEPCWSA-N 1 3 399.495 -0.605 20 0 GBADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737511 1072394910 /nfs/dbraw/zinc/39/49/10/1072394910.db2.gz FSIOFHFHAUKKAZ-KZNAEPCWSA-N 1 3 399.495 -0.605 20 0 GBADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737512 1072395325 /nfs/dbraw/zinc/39/53/25/1072395325.db2.gz FSIOFHFHAUKKAZ-OKZBNKHCSA-N 1 3 399.495 -0.605 20 0 GBADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737512 1072395316 /nfs/dbraw/zinc/39/53/16/1072395316.db2.gz FSIOFHFHAUKKAZ-OKZBNKHCSA-N 1 3 399.495 -0.605 20 0 GBADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737513 1072394956 /nfs/dbraw/zinc/39/49/56/1072394956.db2.gz FSIOFHFHAUKKAZ-RCCFBDPRSA-N 1 3 399.495 -0.605 20 0 GBADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737513 1072394952 /nfs/dbraw/zinc/39/49/52/1072394952.db2.gz FSIOFHFHAUKKAZ-RCCFBDPRSA-N 1 3 399.495 -0.605 20 0 GBADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CCCO1 ZINC000582926019 1072416790 /nfs/dbraw/zinc/41/67/90/1072416790.db2.gz CGEICZHUUUEJTC-GOSISDBHSA-N 1 3 397.564 -0.301 20 0 GBADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CCCO1 ZINC000582926019 1072416786 /nfs/dbraw/zinc/41/67/86/1072416786.db2.gz CGEICZHUUUEJTC-GOSISDBHSA-N 1 3 397.564 -0.301 20 0 GBADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CCCO1 ZINC000582926020 1072416623 /nfs/dbraw/zinc/41/66/23/1072416623.db2.gz CGEICZHUUUEJTC-SFHVURJKSA-N 1 3 397.564 -0.301 20 0 GBADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CCCO1 ZINC000582926020 1072416619 /nfs/dbraw/zinc/41/66/19/1072416619.db2.gz CGEICZHUUUEJTC-SFHVURJKSA-N 1 3 397.564 -0.301 20 0 GBADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000583189957 1072440215 /nfs/dbraw/zinc/44/02/15/1072440215.db2.gz NRSGHWVNZASBRG-CVEARBPZSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000583189957 1072440210 /nfs/dbraw/zinc/44/02/10/1072440210.db2.gz NRSGHWVNZASBRG-CVEARBPZSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000583189958 1072440495 /nfs/dbraw/zinc/44/04/95/1072440495.db2.gz NRSGHWVNZASBRG-HOTGVXAUSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000583189958 1072440492 /nfs/dbraw/zinc/44/04/92/1072440492.db2.gz NRSGHWVNZASBRG-HOTGVXAUSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000583189959 1072440428 /nfs/dbraw/zinc/44/04/28/1072440428.db2.gz NRSGHWVNZASBRG-HZPDHXFCSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000583189959 1072440422 /nfs/dbraw/zinc/44/04/22/1072440422.db2.gz NRSGHWVNZASBRG-HZPDHXFCSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000583189960 1072440373 /nfs/dbraw/zinc/44/03/73/1072440373.db2.gz NRSGHWVNZASBRG-JKSUJKDBSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000583189960 1072440366 /nfs/dbraw/zinc/44/03/66/1072440366.db2.gz NRSGHWVNZASBRG-JKSUJKDBSA-N 1 3 379.505 -0.839 20 0 GBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C[NH+]1CCCC1 ZINC000583336778 1072453620 /nfs/dbraw/zinc/45/36/20/1072453620.db2.gz BEIGIHZCHYJGEK-KRWDZBQOSA-N 1 3 393.532 -0.399 20 0 GBADHO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C[NH+]1CCCC1 ZINC000583336779 1072454045 /nfs/dbraw/zinc/45/40/45/1072454045.db2.gz BEIGIHZCHYJGEK-QGZVFWFLSA-N 1 3 393.532 -0.399 20 0 GBADHO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O2 ZINC000583550901 1072473181 /nfs/dbraw/zinc/47/31/81/1072473181.db2.gz LNJYPLSGJXHEQS-GJYPPUQNSA-N 1 3 384.521 -0.267 20 0 GBADHO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O2 ZINC000583550902 1072473347 /nfs/dbraw/zinc/47/33/47/1072473347.db2.gz LNJYPLSGJXHEQS-GPMSIDNRSA-N 1 3 384.521 -0.267 20 0 GBADHO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O2 ZINC000583550903 1072473424 /nfs/dbraw/zinc/47/34/24/1072473424.db2.gz LNJYPLSGJXHEQS-JTDSTZFVSA-N 1 3 384.521 -0.267 20 0 GBADHO C[C@H]1OCC[C@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O2 ZINC000583550904 1072473442 /nfs/dbraw/zinc/47/34/42/1072473442.db2.gz LNJYPLSGJXHEQS-MDZRGWNJSA-N 1 3 384.521 -0.267 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000583615687 1072481780 /nfs/dbraw/zinc/48/17/80/1072481780.db2.gz DMWRRVBZJWALTL-BEFAXECRSA-N 1 3 379.505 -0.743 20 0 GBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000583615688 1072482181 /nfs/dbraw/zinc/48/21/81/1072482181.db2.gz DMWRRVBZJWALTL-DNVCBOLYSA-N 1 3 379.505 -0.743 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000583615689 1072481726 /nfs/dbraw/zinc/48/17/26/1072481726.db2.gz DMWRRVBZJWALTL-HNAYVOBHSA-N 1 3 379.505 -0.743 20 0 GBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000583615690 1072481932 /nfs/dbraw/zinc/48/19/32/1072481932.db2.gz DMWRRVBZJWALTL-KXBFYZLASA-N 1 3 379.505 -0.743 20 0 GBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000583759034 1072501209 /nfs/dbraw/zinc/50/12/09/1072501209.db2.gz KFKYEIMGVUQMEE-KRWDZBQOSA-N 1 3 397.564 -0.397 20 0 GBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000583759035 1072500924 /nfs/dbraw/zinc/50/09/24/1072500924.db2.gz KFKYEIMGVUQMEE-QGZVFWFLSA-N 1 3 397.564 -0.397 20 0 GBADHO C[C@@H](CCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000583821129 1072506879 /nfs/dbraw/zinc/50/68/79/1072506879.db2.gz AMVKKBDNUZIGHA-WOYTXXSLSA-N 1 3 384.521 -0.941 20 0 GBADHO C[C@@H](CCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583821129 1072506869 /nfs/dbraw/zinc/50/68/69/1072506869.db2.gz AMVKKBDNUZIGHA-WOYTXXSLSA-N 1 3 384.521 -0.941 20 0 GBADHO C[C@H](CCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000583821130 1072506453 /nfs/dbraw/zinc/50/64/53/1072506453.db2.gz AMVKKBDNUZIGHA-XAJHFOFHSA-N 1 3 384.521 -0.941 20 0 GBADHO C[C@H](CCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583821130 1072506450 /nfs/dbraw/zinc/50/64/50/1072506450.db2.gz AMVKKBDNUZIGHA-XAJHFOFHSA-N 1 3 384.521 -0.941 20 0 GBADHO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583823608 1072507189 /nfs/dbraw/zinc/50/71/89/1072507189.db2.gz CJRZLBFRHQMLJZ-CVEARBPZSA-N 1 3 390.488 -0.135 20 0 GBADHO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583823609 1072506800 /nfs/dbraw/zinc/50/68/00/1072506800.db2.gz CJRZLBFRHQMLJZ-HOTGVXAUSA-N 1 3 390.488 -0.135 20 0 GBADHO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583823610 1072507022 /nfs/dbraw/zinc/50/70/22/1072507022.db2.gz CJRZLBFRHQMLJZ-HZPDHXFCSA-N 1 3 390.488 -0.135 20 0 GBADHO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583823611 1072506603 /nfs/dbraw/zinc/50/66/03/1072506603.db2.gz CJRZLBFRHQMLJZ-JKSUJKDBSA-N 1 3 390.488 -0.135 20 0 GBADHO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000583986166 1072520431 /nfs/dbraw/zinc/52/04/31/1072520431.db2.gz PDSWCTPWKSYQCB-UHFFFAOYSA-N 1 3 393.532 -0.258 20 0 GBADHO C[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC000584193661 1072536320 /nfs/dbraw/zinc/53/63/20/1072536320.db2.gz ZMMMYLUWCHHSCB-BCDXTJNWSA-N 1 3 398.548 -0.209 20 0 GBADHO C[C@H](CN1CCOCC1)C(=O)NC[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000584193661 1072536312 /nfs/dbraw/zinc/53/63/12/1072536312.db2.gz ZMMMYLUWCHHSCB-BCDXTJNWSA-N 1 3 398.548 -0.209 20 0 GBADHO CN1CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000584536079 1073207780 /nfs/dbraw/zinc/20/77/80/1073207780.db2.gz MWNPQWZRVJQFGT-UHFFFAOYSA-N 1 3 387.484 -0.603 20 0 GBADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000584706474 1073302106 /nfs/dbraw/zinc/30/21/06/1073302106.db2.gz RRJDOMPNSDLOAT-BRWVUGGUSA-N 1 3 391.516 -0.554 20 0 GBADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000584706474 1073302103 /nfs/dbraw/zinc/30/21/03/1073302103.db2.gz RRJDOMPNSDLOAT-BRWVUGGUSA-N 1 3 391.516 -0.554 20 0 GBADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000584706475 1073301833 /nfs/dbraw/zinc/30/18/33/1073301833.db2.gz RRJDOMPNSDLOAT-IKGGRYGDSA-N 1 3 391.516 -0.554 20 0 GBADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000584706475 1073301828 /nfs/dbraw/zinc/30/18/28/1073301828.db2.gz RRJDOMPNSDLOAT-IKGGRYGDSA-N 1 3 391.516 -0.554 20 0 GBADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000584706476 1073302038 /nfs/dbraw/zinc/30/20/38/1073302038.db2.gz RRJDOMPNSDLOAT-IXDOHACOSA-N 1 3 391.516 -0.554 20 0 GBADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000584706476 1073302035 /nfs/dbraw/zinc/30/20/35/1073302035.db2.gz RRJDOMPNSDLOAT-IXDOHACOSA-N 1 3 391.516 -0.554 20 0 GBADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000584706477 1073301743 /nfs/dbraw/zinc/30/17/43/1073301743.db2.gz RRJDOMPNSDLOAT-ZACQAIPSSA-N 1 3 391.516 -0.554 20 0 GBADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000584706477 1073301736 /nfs/dbraw/zinc/30/17/36/1073301736.db2.gz RRJDOMPNSDLOAT-ZACQAIPSSA-N 1 3 391.516 -0.554 20 0 GBADHO CN1CCN(C[C@@H](O)C[NH2+]CCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000584715608 1073301646 /nfs/dbraw/zinc/30/16/46/1073301646.db2.gz XHBNXWJLCNNFMQ-IBGZPJMESA-N 1 3 391.564 -0.423 20 0 GBADHO CN1CCN(C[C@H](O)C[NH2+]CCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000584715609 1073302012 /nfs/dbraw/zinc/30/20/12/1073302012.db2.gz XHBNXWJLCNNFMQ-LJQANCHMSA-N 1 3 391.564 -0.423 20 0 GBADHO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000584768238 1073306300 /nfs/dbraw/zinc/30/63/00/1073306300.db2.gz FGZJLGHJCFEIMU-INIZCTEOSA-N 1 3 376.505 -0.290 20 0 GBADHO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000584768242 1073306342 /nfs/dbraw/zinc/30/63/42/1073306342.db2.gz FGZJLGHJCFEIMU-MRXNPFEDSA-N 1 3 376.505 -0.290 20 0 GBADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000584849890 1073313339 /nfs/dbraw/zinc/31/33/39/1073313339.db2.gz MWMZUOKXWPMRDI-CVEARBPZSA-N 1 3 379.505 -0.471 20 0 GBADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000584849895 1073313282 /nfs/dbraw/zinc/31/32/82/1073313282.db2.gz MWMZUOKXWPMRDI-HOTGVXAUSA-N 1 3 379.505 -0.471 20 0 GBADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000584849896 1073313485 /nfs/dbraw/zinc/31/34/85/1073313485.db2.gz MWMZUOKXWPMRDI-HZPDHXFCSA-N 1 3 379.505 -0.471 20 0 GBADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000584849897 1073313260 /nfs/dbraw/zinc/31/32/60/1073313260.db2.gz MWMZUOKXWPMRDI-JKSUJKDBSA-N 1 3 379.505 -0.471 20 0 GBADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000604667578 1073608500 /nfs/dbraw/zinc/60/85/00/1073608500.db2.gz DMROARFXPFKTLG-QRVBRYPASA-N 1 3 395.548 -0.367 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000607241521 530214548 /nfs/dbraw/zinc/21/45/48/530214548.db2.gz DOXRMYJCCINKOX-UHFFFAOYSA-N 1 3 395.595 -0.500 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000611959448 1072605770 /nfs/dbraw/zinc/60/57/70/1072605770.db2.gz GVUAQCFLLDCEBA-KRWDZBQOSA-N 1 3 395.548 -0.500 20 0 GBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000611959449 1072605903 /nfs/dbraw/zinc/60/59/03/1072605903.db2.gz GVUAQCFLLDCEBA-QGZVFWFLSA-N 1 3 395.548 -0.500 20 0 GBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000612479258 1072823335 /nfs/dbraw/zinc/82/33/35/1072823335.db2.gz BLAGFPZUMDIVKY-INIZCTEOSA-N 1 3 381.521 -0.545 20 0 GBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000612479259 1072823570 /nfs/dbraw/zinc/82/35/70/1072823570.db2.gz BLAGFPZUMDIVKY-MRXNPFEDSA-N 1 3 381.521 -0.545 20 0 GBADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000612547116 1072835584 /nfs/dbraw/zinc/83/55/84/1072835584.db2.gz ZUPLKSFJLLMVNL-CVEARBPZSA-N 1 3 379.505 -0.648 20 0 GBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000612547116 1072835569 /nfs/dbraw/zinc/83/55/69/1072835569.db2.gz ZUPLKSFJLLMVNL-CVEARBPZSA-N 1 3 379.505 -0.648 20 0 GBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000612547117 1072835092 /nfs/dbraw/zinc/83/50/92/1072835092.db2.gz ZUPLKSFJLLMVNL-HOTGVXAUSA-N 1 3 379.505 -0.648 20 0 GBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000612547117 1072835080 /nfs/dbraw/zinc/83/50/80/1072835080.db2.gz ZUPLKSFJLLMVNL-HOTGVXAUSA-N 1 3 379.505 -0.648 20 0 GBADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000612547118 1072834743 /nfs/dbraw/zinc/83/47/43/1072834743.db2.gz ZUPLKSFJLLMVNL-HZPDHXFCSA-N 1 3 379.505 -0.648 20 0 GBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000612547118 1072834732 /nfs/dbraw/zinc/83/47/32/1072834732.db2.gz ZUPLKSFJLLMVNL-HZPDHXFCSA-N 1 3 379.505 -0.648 20 0 GBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000612547119 1072835161 /nfs/dbraw/zinc/83/51/61/1072835161.db2.gz ZUPLKSFJLLMVNL-JKSUJKDBSA-N 1 3 379.505 -0.648 20 0 GBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000612547119 1072835151 /nfs/dbraw/zinc/83/51/51/1072835151.db2.gz ZUPLKSFJLLMVNL-JKSUJKDBSA-N 1 3 379.505 -0.648 20 0 GBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000612549062 1072833130 /nfs/dbraw/zinc/83/31/30/1072833130.db2.gz VPBZAVVOBGFLPK-INIZCTEOSA-N 1 3 381.521 -0.401 20 0 GBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000612549062 1072833116 /nfs/dbraw/zinc/83/31/16/1072833116.db2.gz VPBZAVVOBGFLPK-INIZCTEOSA-N 1 3 381.521 -0.401 20 0 GBADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000612549063 1072833371 /nfs/dbraw/zinc/83/33/71/1072833371.db2.gz VPBZAVVOBGFLPK-MRXNPFEDSA-N 1 3 381.521 -0.401 20 0 GBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000612549063 1072833358 /nfs/dbraw/zinc/83/33/58/1072833358.db2.gz VPBZAVVOBGFLPK-MRXNPFEDSA-N 1 3 381.521 -0.401 20 0 GBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000612550346 1072833003 /nfs/dbraw/zinc/83/30/03/1072833003.db2.gz FSWORBBPIHOMGR-INIZCTEOSA-N 1 3 379.505 -0.647 20 0 GBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000612550346 1072832994 /nfs/dbraw/zinc/83/29/94/1072832994.db2.gz FSWORBBPIHOMGR-INIZCTEOSA-N 1 3 379.505 -0.647 20 0 GBADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000612550347 1072833568 /nfs/dbraw/zinc/83/35/68/1072833568.db2.gz FSWORBBPIHOMGR-MRXNPFEDSA-N 1 3 379.505 -0.647 20 0 GBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000612550347 1072833556 /nfs/dbraw/zinc/83/35/56/1072833556.db2.gz FSWORBBPIHOMGR-MRXNPFEDSA-N 1 3 379.505 -0.647 20 0 GBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000612590395 1072843568 /nfs/dbraw/zinc/84/35/68/1072843568.db2.gz AJKIEQYVAXSSOQ-MSOLQXFVSA-N 1 3 396.532 -0.075 20 0 GBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000612590396 1072842665 /nfs/dbraw/zinc/84/26/65/1072842665.db2.gz AJKIEQYVAXSSOQ-QZTJIDSGSA-N 1 3 396.532 -0.075 20 0 GBADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000612590397 1072842933 /nfs/dbraw/zinc/84/29/33/1072842933.db2.gz AJKIEQYVAXSSOQ-ROUUACIJSA-N 1 3 396.532 -0.075 20 0 GBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000612590398 1072842997 /nfs/dbraw/zinc/84/29/97/1072842997.db2.gz AJKIEQYVAXSSOQ-ZWKOTPCHSA-N 1 3 396.532 -0.075 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599637 1072844584 /nfs/dbraw/zinc/84/45/84/1072844584.db2.gz ZROPQUKWQSJBMS-MSOLQXFVSA-N 1 3 396.532 -0.075 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599638 1072844074 /nfs/dbraw/zinc/84/40/74/1072844074.db2.gz ZROPQUKWQSJBMS-QZTJIDSGSA-N 1 3 396.532 -0.075 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599639 1072843940 /nfs/dbraw/zinc/84/39/40/1072843940.db2.gz ZROPQUKWQSJBMS-ROUUACIJSA-N 1 3 396.532 -0.075 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599640 1072844649 /nfs/dbraw/zinc/84/46/49/1072844649.db2.gz ZROPQUKWQSJBMS-ZWKOTPCHSA-N 1 3 396.532 -0.075 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612612287 1072845813 /nfs/dbraw/zinc/84/58/13/1072845813.db2.gz GENFNKUTYVWHCU-HNNXBMFYSA-N 1 3 383.537 -0.299 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612612294 1072845833 /nfs/dbraw/zinc/84/58/33/1072845833.db2.gz GENFNKUTYVWHCU-OAHLLOKOSA-N 1 3 383.537 -0.299 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000612773421 1072869801 /nfs/dbraw/zinc/86/98/01/1072869801.db2.gz UBUVPRPEIPCIEL-UHFFFAOYSA-N 1 3 393.532 -0.543 20 0 GBADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924518 1072888115 /nfs/dbraw/zinc/88/81/15/1072888115.db2.gz PMRZNYGJKNIPOA-CABCVRRESA-N 1 3 377.493 -0.303 20 0 GBADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924519 1072888803 /nfs/dbraw/zinc/88/88/03/1072888803.db2.gz PMRZNYGJKNIPOA-GJZGRUSLSA-N 1 3 377.493 -0.303 20 0 GBADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924520 1072888659 /nfs/dbraw/zinc/88/86/59/1072888659.db2.gz PMRZNYGJKNIPOA-HUUCEWRRSA-N 1 3 377.493 -0.303 20 0 GBADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924521 1072889107 /nfs/dbraw/zinc/88/91/07/1072889107.db2.gz PMRZNYGJKNIPOA-LSDHHAIUSA-N 1 3 377.493 -0.303 20 0 GBADHO CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617507684 530283562 /nfs/dbraw/zinc/28/35/62/530283562.db2.gz FTWUBVULBRFDLS-AWEZNQCLSA-N 1 3 377.555 -0.449 20 0 GBADHO CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617507684 530283561 /nfs/dbraw/zinc/28/35/61/530283561.db2.gz FTWUBVULBRFDLS-AWEZNQCLSA-N 1 3 377.555 -0.449 20 0 GBADHO CN(CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626043430 1072373217 /nfs/dbraw/zinc/37/32/17/1072373217.db2.gz QGLYPEUUKVDOAP-BALXVJCKSA-N 1 3 396.532 -0.937 20 0 GBADHO CN(CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626043430 1072373208 /nfs/dbraw/zinc/37/32/08/1072373208.db2.gz QGLYPEUUKVDOAP-BALXVJCKSA-N 1 3 396.532 -0.937 20 0 GBADHO CN(C)CCCS(=O)(=O)N1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631638251 530138959 /nfs/dbraw/zinc/13/89/59/530138959.db2.gz MENAAFCZUKNBCM-UHFFFAOYSA-N 1 3 384.568 -0.833 20 0 GBADHO CN(C)CCCS(=O)(=O)N1CCCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631701224 530450349 /nfs/dbraw/zinc/45/03/49/530450349.db2.gz MSZYHOJQNRGADN-UHFFFAOYSA-N 1 3 398.595 -0.443 20 0 GBADHO CCN(CC)CC(=O)N1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631917672 530140697 /nfs/dbraw/zinc/14/06/97/530140697.db2.gz NSSFGRBXNFHMHN-UHFFFAOYSA-N 1 3 375.539 -0.599 20 0 GBADHO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CCCN2CCN(C)CC2)CC1 ZINC000632253934 530143331 /nfs/dbraw/zinc/14/33/31/530143331.db2.gz GIVOXSPQWNCOGQ-KRWDZBQOSA-N 1 3 375.583 -0.431 20 0 GBADHO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CCCN2CCN(C)CC2)CC1 ZINC000632253935 530143566 /nfs/dbraw/zinc/14/35/66/530143566.db2.gz GIVOXSPQWNCOGQ-QGZVFWFLSA-N 1 3 375.583 -0.431 20 0 GBADHO CNS(=O)(=O)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000633488029 530148142 /nfs/dbraw/zinc/14/81/42/530148142.db2.gz URUZPKSRBMCCRX-UHFFFAOYSA-N 1 3 375.539 -0.217 20 0 GBADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCN2CC[C@H](O)C2)c1 ZINC000636712767 1073558650 /nfs/dbraw/zinc/55/86/50/1073558650.db2.gz LHPFDIYEEBXHMD-KRWDZBQOSA-N 1 3 377.489 -0.156 20 0 GBADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCN2CC[C@@H](O)C2)c1 ZINC000636712768 1073558179 /nfs/dbraw/zinc/55/81/79/1073558179.db2.gz LHPFDIYEEBXHMD-QGZVFWFLSA-N 1 3 377.489 -0.156 20 0 GBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000636800242 1073577638 /nfs/dbraw/zinc/57/76/38/1073577638.db2.gz XXOHTDMSPMLMNC-UHFFFAOYSA-N 1 3 384.521 -0.216 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637262595 530197925 /nfs/dbraw/zinc/19/79/25/530197925.db2.gz AWRUBMFLNWHWBU-ZDUSSCGKSA-N 1 3 378.543 -0.952 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637262595 530197922 /nfs/dbraw/zinc/19/79/22/530197922.db2.gz AWRUBMFLNWHWBU-ZDUSSCGKSA-N 1 3 378.543 -0.952 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000637263472 1073652891 /nfs/dbraw/zinc/65/28/91/1073652891.db2.gz GPOCNIIANPREFZ-GJZGRUSLSA-N 1 3 393.554 -0.782 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000637263472 1073652889 /nfs/dbraw/zinc/65/28/89/1073652889.db2.gz GPOCNIIANPREFZ-GJZGRUSLSA-N 1 3 393.554 -0.782 20 0 GBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCS(=O)(=O)NC ZINC000637671791 530232243 /nfs/dbraw/zinc/23/22/43/530232243.db2.gz TUOLVIRGKBXCBV-HNNXBMFYSA-N 1 3 377.555 -0.017 20 0 GBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCS(=O)(=O)NC ZINC000637671791 530232242 /nfs/dbraw/zinc/23/22/42/530232242.db2.gz TUOLVIRGKBXCBV-HNNXBMFYSA-N 1 3 377.555 -0.017 20 0 GBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCS(=O)(=O)NC ZINC000637671793 530232126 /nfs/dbraw/zinc/23/21/26/530232126.db2.gz TUOLVIRGKBXCBV-OAHLLOKOSA-N 1 3 377.555 -0.017 20 0 GBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCS(=O)(=O)NC ZINC000637671793 530232124 /nfs/dbraw/zinc/23/21/24/530232124.db2.gz TUOLVIRGKBXCBV-OAHLLOKOSA-N 1 3 377.555 -0.017 20 0 GBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785977 1072444037 /nfs/dbraw/zinc/44/40/37/1072444037.db2.gz VKRMXWNDCIPHKJ-KGLIPLIRSA-N 1 3 391.438 -0.461 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642958513 1073014306 /nfs/dbraw/zinc/01/43/06/1073014306.db2.gz JWSUTZYRAJBQNE-ARFHVFGLSA-N 1 3 381.521 -0.546 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642958513 1073014297 /nfs/dbraw/zinc/01/42/97/1073014297.db2.gz JWSUTZYRAJBQNE-ARFHVFGLSA-N 1 3 381.521 -0.546 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642958514 1073014514 /nfs/dbraw/zinc/01/45/14/1073014514.db2.gz JWSUTZYRAJBQNE-HRCADAONSA-N 1 3 381.521 -0.546 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642958514 1073014505 /nfs/dbraw/zinc/01/45/05/1073014505.db2.gz JWSUTZYRAJBQNE-HRCADAONSA-N 1 3 381.521 -0.546 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642958515 1073014610 /nfs/dbraw/zinc/01/46/10/1073014610.db2.gz JWSUTZYRAJBQNE-JYJNAYRXSA-N 1 3 381.521 -0.546 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642958515 1073014599 /nfs/dbraw/zinc/01/45/99/1073014599.db2.gz JWSUTZYRAJBQNE-JYJNAYRXSA-N 1 3 381.521 -0.546 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642958516 1073014711 /nfs/dbraw/zinc/01/47/11/1073014711.db2.gz JWSUTZYRAJBQNE-XHSDSOJGSA-N 1 3 381.521 -0.546 20 0 GBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642958516 1073014696 /nfs/dbraw/zinc/01/46/96/1073014696.db2.gz JWSUTZYRAJBQNE-XHSDSOJGSA-N 1 3 381.521 -0.546 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643526565 1073609013 /nfs/dbraw/zinc/60/90/13/1073609013.db2.gz BCEYMFJLIZHQET-BBRMVZONSA-N 1 3 377.445 -0.687 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643526566 1073608347 /nfs/dbraw/zinc/60/83/47/1073608347.db2.gz BCEYMFJLIZHQET-CJNGLKHVSA-N 1 3 377.445 -0.687 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643526567 1073608570 /nfs/dbraw/zinc/60/85/70/1073608570.db2.gz BCEYMFJLIZHQET-CZUORRHYSA-N 1 3 377.445 -0.687 20 0 GBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643526568 1073608941 /nfs/dbraw/zinc/60/89/41/1073608941.db2.gz BCEYMFJLIZHQET-XJKSGUPXSA-N 1 3 377.445 -0.687 20 0 GBADHO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[C@H]1[NH3+] ZINC000643542543 1072134652 /nfs/dbraw/zinc/13/46/52/1072134652.db2.gz WEWHLIYXJUFYIT-OAGGEKHMSA-N 1 3 379.505 -0.663 20 0 GBADHO CN(C)CCN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000650889732 1072642350 /nfs/dbraw/zinc/64/23/50/1072642350.db2.gz QBMDECBOZDOKGI-INIZCTEOSA-N 1 3 381.521 -0.097 20 0 GBADHO CN(C)CCN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1=O ZINC000650973806 1073052356 /nfs/dbraw/zinc/05/23/56/1073052356.db2.gz HHDVYQDNVHPNOY-IAGOWNOFSA-N 1 3 381.521 -0.220 20 0 GBADHO CN(C)CCN1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1=O ZINC000650973807 1073052810 /nfs/dbraw/zinc/05/28/10/1073052810.db2.gz HHDVYQDNVHPNOY-IRXDYDNUSA-N 1 3 381.521 -0.220 20 0 GBADHO CN(C)CCN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1=O ZINC000650973808 1073052909 /nfs/dbraw/zinc/05/29/09/1073052909.db2.gz HHDVYQDNVHPNOY-SJORKVTESA-N 1 3 381.521 -0.220 20 0 GBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348793 1073502915 /nfs/dbraw/zinc/50/29/15/1073502915.db2.gz RIQXDULYAQYZMI-BZSNNMDCSA-N 1 3 395.548 -0.563 20 0 GBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348794 1073503080 /nfs/dbraw/zinc/50/30/80/1073503080.db2.gz RIQXDULYAQYZMI-KSZLIROESA-N 1 3 395.548 -0.563 20 0 GBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348795 1073503182 /nfs/dbraw/zinc/50/31/82/1073503182.db2.gz RIQXDULYAQYZMI-OKZBNKHCSA-N 1 3 395.548 -0.563 20 0 GBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348796 1073502645 /nfs/dbraw/zinc/50/26/45/1073502645.db2.gz RIQXDULYAQYZMI-RCCFBDPRSA-N 1 3 395.548 -0.563 20 0 GBADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000652402853 1073510459 /nfs/dbraw/zinc/51/04/59/1073510459.db2.gz CNHJXOMTJWAYKW-UHFFFAOYSA-N 1 3 395.548 -0.201 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1=O ZINC000652402974 1073509858 /nfs/dbraw/zinc/50/98/58/1073509858.db2.gz PBDKXZMGTLFVPX-UHFFFAOYSA-N 1 3 393.532 -0.447 20 0 GBADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000652413339 1073515735 /nfs/dbraw/zinc/51/57/35/1073515735.db2.gz RIQWXQWWUVGHAL-UHFFFAOYSA-N 1 3 395.548 -0.202 20 0 GBADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000652413339 1073515715 /nfs/dbraw/zinc/51/57/15/1073515715.db2.gz RIQWXQWWUVGHAL-UHFFFAOYSA-N 1 3 395.548 -0.202 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1=O ZINC000652414683 1073515802 /nfs/dbraw/zinc/51/58/02/1073515802.db2.gz NIVSFYCRDUITQD-UHFFFAOYSA-N 1 3 381.521 -0.591 20 0 GBADHO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1=O ZINC000652423808 1073515782 /nfs/dbraw/zinc/51/57/82/1073515782.db2.gz YLCRWNWREODWMK-UHFFFAOYSA-N 1 3 381.521 -0.448 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC000652431344 1073517071 /nfs/dbraw/zinc/51/70/71/1073517071.db2.gz JEWMMGPSLRDUCO-UHFFFAOYSA-N 1 3 379.509 -0.532 20 0 GBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000652431372 1073516737 /nfs/dbraw/zinc/51/67/37/1073516737.db2.gz KKEUVMMVGKUPJL-UHFFFAOYSA-N 1 3 395.548 -0.153 20 0 GBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000652431372 1073516726 /nfs/dbraw/zinc/51/67/26/1073516726.db2.gz KKEUVMMVGKUPJL-UHFFFAOYSA-N 1 3 395.548 -0.153 20 0 GBADHO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1=O ZINC000652432857 1073516597 /nfs/dbraw/zinc/51/65/97/1073516597.db2.gz FFDHMBVRAKRTHS-INIZCTEOSA-N 1 3 379.505 -0.694 20 0 GBADHO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1=O ZINC000652432858 1073516455 /nfs/dbraw/zinc/51/64/55/1073516455.db2.gz FFDHMBVRAKRTHS-MRXNPFEDSA-N 1 3 379.505 -0.694 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1=O ZINC000652456720 1073519792 /nfs/dbraw/zinc/51/97/92/1073519792.db2.gz FDGSWEHGXHSWRO-KRWDZBQOSA-N 1 3 393.532 -0.304 20 0 GBADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)[C@H](C)C1 ZINC000652459736 1073521525 /nfs/dbraw/zinc/52/15/25/1073521525.db2.gz JGQDKRLXXOZQEC-HZPDHXFCSA-N 1 3 381.521 -0.593 20 0 GBADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)[C@H](C)C1 ZINC000652459736 1073521512 /nfs/dbraw/zinc/52/15/12/1073521512.db2.gz JGQDKRLXXOZQEC-HZPDHXFCSA-N 1 3 381.521 -0.593 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1=O ZINC000652461492 1073521711 /nfs/dbraw/zinc/52/17/11/1073521711.db2.gz CRESWQNGQNCFBI-INIZCTEOSA-N 1 3 381.521 -0.448 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1=O ZINC000652461492 1073521698 /nfs/dbraw/zinc/52/16/98/1073521698.db2.gz CRESWQNGQNCFBI-INIZCTEOSA-N 1 3 381.521 -0.448 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1=O ZINC000652461493 1073521318 /nfs/dbraw/zinc/52/13/18/1073521318.db2.gz CRESWQNGQNCFBI-MRXNPFEDSA-N 1 3 381.521 -0.448 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1=O ZINC000652461493 1073521311 /nfs/dbraw/zinc/52/13/11/1073521311.db2.gz CRESWQNGQNCFBI-MRXNPFEDSA-N 1 3 381.521 -0.448 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000652468567 1073522930 /nfs/dbraw/zinc/52/29/30/1073522930.db2.gz KSPWXNSEJKEKFN-KRWDZBQOSA-N 1 3 393.532 -0.591 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000652468567 1073522920 /nfs/dbraw/zinc/52/29/20/1073522920.db2.gz KSPWXNSEJKEKFN-KRWDZBQOSA-N 1 3 393.532 -0.591 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000652468568 1073522688 /nfs/dbraw/zinc/52/26/88/1073522688.db2.gz KSPWXNSEJKEKFN-QGZVFWFLSA-N 1 3 393.532 -0.591 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000652468568 1073522679 /nfs/dbraw/zinc/52/26/79/1073522679.db2.gz KSPWXNSEJKEKFN-QGZVFWFLSA-N 1 3 393.532 -0.591 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000652475269 1073522634 /nfs/dbraw/zinc/52/26/34/1073522634.db2.gz GLXOVXYAAQNCTI-KRWDZBQOSA-N 1 3 393.532 -0.591 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000652475270 1073522607 /nfs/dbraw/zinc/52/26/07/1073522607.db2.gz GLXOVXYAAQNCTI-QGZVFWFLSA-N 1 3 393.532 -0.591 20 0 GBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652476558 1073524850 /nfs/dbraw/zinc/52/48/50/1073524850.db2.gz AXQZYPKPIZOEOM-CVEARBPZSA-N 1 3 379.505 -0.696 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1=O ZINC000652479583 1073524998 /nfs/dbraw/zinc/52/49/98/1073524998.db2.gz GHOGVBZEHWLOAE-CVEARBPZSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1=O ZINC000652479583 1073524993 /nfs/dbraw/zinc/52/49/93/1073524993.db2.gz GHOGVBZEHWLOAE-CVEARBPZSA-N 1 3 379.505 -0.839 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684281 1073680640 /nfs/dbraw/zinc/68/06/40/1073680640.db2.gz JQXUXMYPDAHWRP-INIZCTEOSA-N 1 3 381.521 -0.449 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684282 1073680503 /nfs/dbraw/zinc/68/05/03/1073680503.db2.gz JQXUXMYPDAHWRP-MRXNPFEDSA-N 1 3 381.521 -0.449 20 0 GBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652694136 1073369785 /nfs/dbraw/zinc/36/97/85/1073369785.db2.gz PGZBNNGGULQKHF-BRWVUGGUSA-N 1 3 383.537 -0.802 20 0 GBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652694137 1073369332 /nfs/dbraw/zinc/36/93/32/1073369332.db2.gz PGZBNNGGULQKHF-GVDBMIGSSA-N 1 3 383.537 -0.802 20 0 GBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000652731863 1072720404 /nfs/dbraw/zinc/72/04/04/1072720404.db2.gz XJTZXOMUGHPJLC-INIZCTEOSA-N 1 3 381.521 -0.223 20 0 GBADHO CN(C)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1=O ZINC000653366246 1072847660 /nfs/dbraw/zinc/84/76/60/1072847660.db2.gz WJWMCHAKWMYHJA-UHFFFAOYSA-N 1 3 393.532 -0.258 20 0 GBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000653369089 1072908498 /nfs/dbraw/zinc/90/84/98/1072908498.db2.gz JUPITGHTIICIPU-CALCHBBNSA-N 1 3 395.548 -0.297 20 0 GBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000653369089 1072908483 /nfs/dbraw/zinc/90/84/83/1072908483.db2.gz JUPITGHTIICIPU-CALCHBBNSA-N 1 3 395.548 -0.297 20 0 GBADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000653369091 1072908385 /nfs/dbraw/zinc/90/83/85/1072908385.db2.gz JUPITGHTIICIPU-IRXDYDNUSA-N 1 3 395.548 -0.297 20 0 GBADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653371488 1072914037 /nfs/dbraw/zinc/91/40/37/1072914037.db2.gz LNWLPDKKPQPCSY-KRWDZBQOSA-N 1 3 395.548 -0.010 20 0 GBADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653371488 1072914030 /nfs/dbraw/zinc/91/40/30/1072914030.db2.gz LNWLPDKKPQPCSY-KRWDZBQOSA-N 1 3 395.548 -0.010 20 0 GBADHO CN(C)[C@H]1CN(C(=O)CCC(C)(C)C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000655094440 1072177483 /nfs/dbraw/zinc/17/74/83/1072177483.db2.gz CKJRHKVDWILVNU-VGWMRTNUSA-N 1 3 384.521 -0.941 20 0 GBADHO CN(C)[C@H]1CN(C(=O)C(C)(C)CCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000655094440 1072177477 /nfs/dbraw/zinc/17/74/77/1072177477.db2.gz CKJRHKVDWILVNU-VGWMRTNUSA-N 1 3 384.521 -0.941 20 0 GBADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655958505 1072345982 /nfs/dbraw/zinc/34/59/82/1072345982.db2.gz LLYCWXPMDSYWII-CVEARBPZSA-N 1 3 387.488 -0.042 20 0 GBADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655958508 1072345688 /nfs/dbraw/zinc/34/56/88/1072345688.db2.gz LLYCWXPMDSYWII-HOTGVXAUSA-N 1 3 387.488 -0.042 20 0 GBADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655958510 1072347004 /nfs/dbraw/zinc/34/70/04/1072347004.db2.gz LLYCWXPMDSYWII-HZPDHXFCSA-N 1 3 387.488 -0.042 20 0 GBADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655958512 1072347159 /nfs/dbraw/zinc/34/71/59/1072347159.db2.gz LLYCWXPMDSYWII-JKSUJKDBSA-N 1 3 387.488 -0.042 20 0 GBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656028212 1072381922 /nfs/dbraw/zinc/38/19/22/1072381922.db2.gz IQKWEMGHEULZLB-BBWFWOEESA-N 1 3 393.532 -0.034 20 0 GBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656028213 1072382216 /nfs/dbraw/zinc/38/22/16/1072382216.db2.gz IQKWEMGHEULZLB-GVDBMIGSSA-N 1 3 393.532 -0.034 20 0 GBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656028214 1072382110 /nfs/dbraw/zinc/38/21/10/1072382110.db2.gz IQKWEMGHEULZLB-ULQDDVLXSA-N 1 3 393.532 -0.034 20 0 GBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656028215 1072381946 /nfs/dbraw/zinc/38/19/46/1072381946.db2.gz IQKWEMGHEULZLB-YESZJQIVSA-N 1 3 393.532 -0.034 20 0 GBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656029332 1072381574 /nfs/dbraw/zinc/38/15/74/1072381574.db2.gz YLWNPMLFBVFADL-BZUAXINKSA-N 1 3 379.505 -0.567 20 0 GBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656029333 1072382001 /nfs/dbraw/zinc/38/20/01/1072382001.db2.gz YLWNPMLFBVFADL-OAGGEKHMSA-N 1 3 379.505 -0.567 20 0 GBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656029334 1072382863 /nfs/dbraw/zinc/38/28/63/1072382863.db2.gz YLWNPMLFBVFADL-OWCLPIDISA-N 1 3 379.505 -0.567 20 0 GBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656029335 1072383015 /nfs/dbraw/zinc/38/30/15/1072383015.db2.gz YLWNPMLFBVFADL-PMPSAXMXSA-N 1 3 379.505 -0.567 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656069763 1072400879 /nfs/dbraw/zinc/40/08/79/1072400879.db2.gz ONZUJAJLAJDPNB-IYBDPMFKSA-N 1 3 381.521 -0.545 20 0 GBADHO Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1C ZINC000656218961 1072461716 /nfs/dbraw/zinc/46/17/16/1072461716.db2.gz HSKDAFDYFQWODR-WNRNVDISSA-N 1 3 388.516 -0.396 20 0 GBADHO Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1C ZINC000656218961 1072461711 /nfs/dbraw/zinc/46/17/11/1072461711.db2.gz HSKDAFDYFQWODR-WNRNVDISSA-N 1 3 388.516 -0.396 20 0 GBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656307560 1072502408 /nfs/dbraw/zinc/50/24/08/1072502408.db2.gz QTDZVIFJTUFGFL-BRWVUGGUSA-N 1 3 393.532 -0.177 20 0 GBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656307560 1072502398 /nfs/dbraw/zinc/50/23/98/1072502398.db2.gz QTDZVIFJTUFGFL-BRWVUGGUSA-N 1 3 393.532 -0.177 20 0 GBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656307562 1072502009 /nfs/dbraw/zinc/50/20/09/1072502009.db2.gz QTDZVIFJTUFGFL-IKGGRYGDSA-N 1 3 393.532 -0.177 20 0 GBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656307562 1072501998 /nfs/dbraw/zinc/50/19/98/1072501998.db2.gz QTDZVIFJTUFGFL-IKGGRYGDSA-N 1 3 393.532 -0.177 20 0 GBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656307564 1072502540 /nfs/dbraw/zinc/50/25/40/1072502540.db2.gz QTDZVIFJTUFGFL-IXDOHACOSA-N 1 3 393.532 -0.177 20 0 GBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656307564 1072502529 /nfs/dbraw/zinc/50/25/29/1072502529.db2.gz QTDZVIFJTUFGFL-IXDOHACOSA-N 1 3 393.532 -0.177 20 0 GBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656307566 1072502711 /nfs/dbraw/zinc/50/27/11/1072502711.db2.gz QTDZVIFJTUFGFL-ZACQAIPSSA-N 1 3 393.532 -0.177 20 0 GBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656307566 1072502704 /nfs/dbraw/zinc/50/27/04/1072502704.db2.gz QTDZVIFJTUFGFL-ZACQAIPSSA-N 1 3 393.532 -0.177 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308353 1072503244 /nfs/dbraw/zinc/50/32/44/1072503244.db2.gz COXGFGGCSZUPCL-OWCLPIDISA-N 1 3 381.521 -0.498 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308354 1072503994 /nfs/dbraw/zinc/50/39/94/1072503994.db2.gz COXGFGGCSZUPCL-XHSDSOJGSA-N 1 3 381.521 -0.498 20 0 GBADHO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1=O ZINC000656356851 1072527353 /nfs/dbraw/zinc/52/73/53/1072527353.db2.gz HJLUANUXFSUMGG-CVEARBPZSA-N 1 3 379.505 -0.648 20 0 GBADHO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1=O ZINC000656356852 1072527877 /nfs/dbraw/zinc/52/78/77/1072527877.db2.gz HJLUANUXFSUMGG-HOTGVXAUSA-N 1 3 379.505 -0.648 20 0 GBADHO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1=O ZINC000656356853 1072527205 /nfs/dbraw/zinc/52/72/05/1072527205.db2.gz HJLUANUXFSUMGG-HZPDHXFCSA-N 1 3 379.505 -0.648 20 0 GBADHO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1=O ZINC000656356854 1072527223 /nfs/dbraw/zinc/52/72/23/1072527223.db2.gz HJLUANUXFSUMGG-JKSUJKDBSA-N 1 3 379.505 -0.648 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657839071 1072547860 /nfs/dbraw/zinc/54/78/60/1072547860.db2.gz LFZMNWLSHXMSPH-UHFFFAOYSA-N 1 3 375.473 -0.137 20 0 GBADHO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000658427964 1072676301 /nfs/dbraw/zinc/67/63/01/1072676301.db2.gz GJZGZRNLQURQKR-UHFFFAOYSA-N 1 3 389.460 -0.400 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658522129 1072698554 /nfs/dbraw/zinc/69/85/54/1072698554.db2.gz MDGKKVPGRICARI-MSOLQXFVSA-N 1 3 396.532 -0.387 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658522129 1072698551 /nfs/dbraw/zinc/69/85/51/1072698551.db2.gz MDGKKVPGRICARI-MSOLQXFVSA-N 1 3 396.532 -0.387 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658522130 1072698529 /nfs/dbraw/zinc/69/85/29/1072698529.db2.gz MDGKKVPGRICARI-QZTJIDSGSA-N 1 3 396.532 -0.387 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658522130 1072698527 /nfs/dbraw/zinc/69/85/27/1072698527.db2.gz MDGKKVPGRICARI-QZTJIDSGSA-N 1 3 396.532 -0.387 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658522132 1072698064 /nfs/dbraw/zinc/69/80/64/1072698064.db2.gz MDGKKVPGRICARI-ROUUACIJSA-N 1 3 396.532 -0.387 20 0 GBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658522132 1072698052 /nfs/dbraw/zinc/69/80/52/1072698052.db2.gz MDGKKVPGRICARI-ROUUACIJSA-N 1 3 396.532 -0.387 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658522135 1072698394 /nfs/dbraw/zinc/69/83/94/1072698394.db2.gz MDGKKVPGRICARI-ZWKOTPCHSA-N 1 3 396.532 -0.387 20 0 GBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658522135 1072698388 /nfs/dbraw/zinc/69/83/88/1072698388.db2.gz MDGKKVPGRICARI-ZWKOTPCHSA-N 1 3 396.532 -0.387 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658534896 1072702299 /nfs/dbraw/zinc/70/22/99/1072702299.db2.gz FIAYPJZVMRQBDN-INIZCTEOSA-N 1 3 381.521 -0.591 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658534897 1072702953 /nfs/dbraw/zinc/70/29/53/1072702953.db2.gz FIAYPJZVMRQBDN-MRXNPFEDSA-N 1 3 381.521 -0.591 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000658537477 1072700106 /nfs/dbraw/zinc/70/01/06/1072700106.db2.gz XERMPHDWEJGJNR-HNNXBMFYSA-N 1 3 384.525 -0.848 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000658537480 1072700138 /nfs/dbraw/zinc/70/01/38/1072700138.db2.gz XERMPHDWEJGJNR-OAHLLOKOSA-N 1 3 384.525 -0.848 20 0 GBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658569810 1072712102 /nfs/dbraw/zinc/71/21/02/1072712102.db2.gz DNGIZOFMXHRGIG-GOSISDBHSA-N 1 3 397.564 -0.349 20 0 GBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658569811 1072712617 /nfs/dbraw/zinc/71/26/17/1072712617.db2.gz DNGIZOFMXHRGIG-SFHVURJKSA-N 1 3 397.564 -0.349 20 0 GBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000658674228 1072771315 /nfs/dbraw/zinc/77/13/15/1072771315.db2.gz KQYHSISWHZOVIP-JWTNVVGKSA-N 1 3 377.533 -0.224 20 0 GBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000658674228 1072771310 /nfs/dbraw/zinc/77/13/10/1072771310.db2.gz KQYHSISWHZOVIP-JWTNVVGKSA-N 1 3 377.533 -0.224 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000658779068 1072806073 /nfs/dbraw/zinc/80/60/73/1072806073.db2.gz NORWCBJZLXYNKW-AWEZNQCLSA-N 1 3 393.492 -0.900 20 0 GBADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000658779072 1072806255 /nfs/dbraw/zinc/80/62/55/1072806255.db2.gz NORWCBJZLXYNKW-CQSZACIVSA-N 1 3 393.492 -0.900 20 0 GBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659023084 1072983746 /nfs/dbraw/zinc/98/37/46/1072983746.db2.gz ZBZCGDGESHSKQX-UHFFFAOYSA-N 1 3 378.481 -0.630 20 0 GBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)C1 ZINC000659162831 1073006416 /nfs/dbraw/zinc/00/64/16/1073006416.db2.gz JMTGABSTFSNWTI-MSOLQXFVSA-N 1 3 377.533 -0.079 20 0 GBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)C1 ZINC000659162831 1073006409 /nfs/dbraw/zinc/00/64/09/1073006409.db2.gz JMTGABSTFSNWTI-MSOLQXFVSA-N 1 3 377.533 -0.079 20 0 GBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)C1 ZINC000659162833 1073006211 /nfs/dbraw/zinc/00/62/11/1073006211.db2.gz JMTGABSTFSNWTI-QZTJIDSGSA-N 1 3 377.533 -0.079 20 0 GBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)C1 ZINC000659162833 1073006202 /nfs/dbraw/zinc/00/62/02/1073006202.db2.gz JMTGABSTFSNWTI-QZTJIDSGSA-N 1 3 377.533 -0.079 20 0 GBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)C1 ZINC000659162835 1073005991 /nfs/dbraw/zinc/00/59/91/1073005991.db2.gz JMTGABSTFSNWTI-ROUUACIJSA-N 1 3 377.533 -0.079 20 0 GBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)C1 ZINC000659162835 1073005986 /nfs/dbraw/zinc/00/59/86/1073005986.db2.gz JMTGABSTFSNWTI-ROUUACIJSA-N 1 3 377.533 -0.079 20 0 GBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)C1 ZINC000659162837 1073006056 /nfs/dbraw/zinc/00/60/56/1073006056.db2.gz JMTGABSTFSNWTI-ZWKOTPCHSA-N 1 3 377.533 -0.079 20 0 GBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)C1 ZINC000659162837 1073006043 /nfs/dbraw/zinc/00/60/43/1073006043.db2.gz JMTGABSTFSNWTI-ZWKOTPCHSA-N 1 3 377.533 -0.079 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000659162920 1073006997 /nfs/dbraw/zinc/00/69/97/1073006997.db2.gz ZVRRJYRGTNQQRC-KRWDZBQOSA-N 1 3 393.532 -0.304 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000659162921 1073006869 /nfs/dbraw/zinc/00/68/69/1073006869.db2.gz ZVRRJYRGTNQQRC-QGZVFWFLSA-N 1 3 393.532 -0.304 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000659318508 1073040430 /nfs/dbraw/zinc/04/04/30/1073040430.db2.gz IKLUZWYYFQFMSA-UHFFFAOYSA-N 1 3 395.483 -0.784 20 0 GBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000659318609 1073040481 /nfs/dbraw/zinc/04/04/81/1073040481.db2.gz LKTDIBPNPQNRAS-UHFFFAOYSA-N 1 3 390.532 -0.322 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000659318620 1073040064 /nfs/dbraw/zinc/04/00/64/1073040064.db2.gz MSXJMQSOSMVMRH-KRWDZBQOSA-N 1 3 395.548 -0.012 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000659318621 1073040089 /nfs/dbraw/zinc/04/00/89/1073040089.db2.gz MSXJMQSOSMVMRH-QGZVFWFLSA-N 1 3 395.548 -0.012 20 0 GBADHO Cc1cc(CN2CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2)no1 ZINC000659318745 1073040467 /nfs/dbraw/zinc/04/04/67/1073040467.db2.gz XSXULAQXRLGDGI-UHFFFAOYSA-N 1 3 394.520 -0.421 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H]1[NH+](C)C ZINC000659324644 1073040101 /nfs/dbraw/zinc/04/01/01/1073040101.db2.gz CLOWIHJFQWIYCG-CVEARBPZSA-N 1 3 379.505 -0.839 20 0 GBADHO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H]1[NH+](C)C ZINC000659324645 1073040277 /nfs/dbraw/zinc/04/02/77/1073040277.db2.gz CLOWIHJFQWIYCG-HOTGVXAUSA-N 1 3 379.505 -0.839 20 0 GBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H]1[NH+](C)C ZINC000659324646 1073040354 /nfs/dbraw/zinc/04/03/54/1073040354.db2.gz CLOWIHJFQWIYCG-HZPDHXFCSA-N 1 3 379.505 -0.839 20 0 GBADHO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H]1[NH+](C)C ZINC000659324647 1073040077 /nfs/dbraw/zinc/04/00/77/1073040077.db2.gz CLOWIHJFQWIYCG-JKSUJKDBSA-N 1 3 379.505 -0.839 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000659324659 1073041410 /nfs/dbraw/zinc/04/14/10/1073041410.db2.gz GJAANFVNKGNYSX-INIZCTEOSA-N 1 3 377.489 -0.940 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000659324659 1073041404 /nfs/dbraw/zinc/04/14/04/1073041404.db2.gz GJAANFVNKGNYSX-INIZCTEOSA-N 1 3 377.489 -0.940 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000659324660 1073041483 /nfs/dbraw/zinc/04/14/83/1073041483.db2.gz GJAANFVNKGNYSX-MRXNPFEDSA-N 1 3 377.489 -0.940 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000659324660 1073041472 /nfs/dbraw/zinc/04/14/72/1073041472.db2.gz GJAANFVNKGNYSX-MRXNPFEDSA-N 1 3 377.489 -0.940 20 0 GBADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC000659324776 1073040049 /nfs/dbraw/zinc/04/00/49/1073040049.db2.gz QXVSNCCKOSKFGP-FQEVSTJZSA-N 1 3 391.516 -0.693 20 0 GBADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC000659324776 1073040038 /nfs/dbraw/zinc/04/00/38/1073040038.db2.gz QXVSNCCKOSKFGP-FQEVSTJZSA-N 1 3 391.516 -0.693 20 0 GBADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC000659324780 1073040205 /nfs/dbraw/zinc/04/02/05/1073040205.db2.gz QXVSNCCKOSKFGP-HXUWFJFHSA-N 1 3 391.516 -0.693 20 0 GBADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC000659324780 1073040196 /nfs/dbraw/zinc/04/01/96/1073040196.db2.gz QXVSNCCKOSKFGP-HXUWFJFHSA-N 1 3 391.516 -0.693 20 0 GBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000659324998 1073040526 /nfs/dbraw/zinc/04/05/26/1073040526.db2.gz UTMCFBNTDHNUPO-KRWDZBQOSA-N 1 3 393.532 -0.258 20 0 GBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000659325001 1073040735 /nfs/dbraw/zinc/04/07/35/1073040735.db2.gz UTMCFBNTDHNUPO-QGZVFWFLSA-N 1 3 393.532 -0.258 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659376373 1073044658 /nfs/dbraw/zinc/04/46/58/1073044658.db2.gz GJHGCTFNNXZYDU-KRWDZBQOSA-N 1 3 383.537 -0.739 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659376373 1073044652 /nfs/dbraw/zinc/04/46/52/1073044652.db2.gz GJHGCTFNNXZYDU-KRWDZBQOSA-N 1 3 383.537 -0.739 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659376375 1073044977 /nfs/dbraw/zinc/04/49/77/1073044977.db2.gz GJHGCTFNNXZYDU-QGZVFWFLSA-N 1 3 383.537 -0.739 20 0 GBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659376375 1073044966 /nfs/dbraw/zinc/04/49/66/1073044966.db2.gz GJHGCTFNNXZYDU-QGZVFWFLSA-N 1 3 383.537 -0.739 20 0 GBADHO C[NH+](C)CCOc1cc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccn1 ZINC000659476880 1073051395 /nfs/dbraw/zinc/05/13/95/1073051395.db2.gz XXNVZHKZXGJNLH-UHFFFAOYSA-N 1 3 375.433 -0.024 20 0 GBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659540904 1073056512 /nfs/dbraw/zinc/05/65/12/1073056512.db2.gz YAUSRNFUJZLFST-CYBMUJFWSA-N 1 3 396.458 -0.516 20 0 GBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659540906 1073056576 /nfs/dbraw/zinc/05/65/76/1073056576.db2.gz YAUSRNFUJZLFST-ZDUSSCGKSA-N 1 3 396.458 -0.516 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000659542628 1073055888 /nfs/dbraw/zinc/05/58/88/1073055888.db2.gz XXJVXSRKGTZLHL-JTQLQIEISA-N 1 3 377.371 -0.724 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000659542631 1073056460 /nfs/dbraw/zinc/05/64/60/1073056460.db2.gz XXJVXSRKGTZLHL-SNVBAGLBSA-N 1 3 377.371 -0.724 20 0 GBADHO CC(C)C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(=O)NCC[NH+](C)C ZINC000659630661 1073061030 /nfs/dbraw/zinc/06/10/30/1073061030.db2.gz LLEREZKMKLECNP-ZDUSSCGKSA-N 1 3 381.481 -0.467 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000659630777 1073061147 /nfs/dbraw/zinc/06/11/47/1073061147.db2.gz VHAFQSCOJKCJBW-UHFFFAOYSA-N 1 3 379.465 -0.568 20 0 GBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631982 1073061752 /nfs/dbraw/zinc/06/17/52/1073061752.db2.gz MQXMQNUPUXUECP-HNNXBMFYSA-N 1 3 377.493 -0.048 20 0 GBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631982 1073061743 /nfs/dbraw/zinc/06/17/43/1073061743.db2.gz MQXMQNUPUXUECP-HNNXBMFYSA-N 1 3 377.493 -0.048 20 0 GBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631983 1073061179 /nfs/dbraw/zinc/06/11/79/1073061179.db2.gz MQXMQNUPUXUECP-OAHLLOKOSA-N 1 3 377.493 -0.048 20 0 GBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631983 1073061172 /nfs/dbraw/zinc/06/11/72/1073061172.db2.gz MQXMQNUPUXUECP-OAHLLOKOSA-N 1 3 377.493 -0.048 20 0 GBADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)([NH+](C)C)C1 ZINC000659679667 1073071634 /nfs/dbraw/zinc/07/16/34/1073071634.db2.gz BOZRKVMIXDAQJC-KPZWWZAWSA-N 1 3 378.477 -0.116 20 0 GBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)([NH+](C)C)C1 ZINC000659679669 1073071547 /nfs/dbraw/zinc/07/15/47/1073071547.db2.gz BOZRKVMIXDAQJC-KZULUSFZSA-N 1 3 378.477 -0.116 20 0 GBADHO C[C@H]1CCC[C@](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)([NH+](C)C)C1 ZINC000659679671 1073071831 /nfs/dbraw/zinc/07/18/31/1073071831.db2.gz BOZRKVMIXDAQJC-SGTLLEGYSA-N 1 3 378.477 -0.116 20 0 GBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)([NH+](C)C)C1 ZINC000659679673 1073071445 /nfs/dbraw/zinc/07/14/45/1073071445.db2.gz BOZRKVMIXDAQJC-XIKOKIGWSA-N 1 3 378.477 -0.116 20 0 GBADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680772 1073072975 /nfs/dbraw/zinc/07/29/75/1073072975.db2.gz KUDBJSKQFUILCL-FRRDWIJNSA-N 1 3 378.477 -0.260 20 0 GBADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680772 1073072964 /nfs/dbraw/zinc/07/29/64/1073072964.db2.gz KUDBJSKQFUILCL-FRRDWIJNSA-N 1 3 378.477 -0.260 20 0 GBADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680773 1073073277 /nfs/dbraw/zinc/07/32/77/1073073277.db2.gz KUDBJSKQFUILCL-JHJVBQTASA-N 1 3 378.477 -0.260 20 0 GBADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680774 1073073003 /nfs/dbraw/zinc/07/30/03/1073073003.db2.gz KUDBJSKQFUILCL-UPJWGTAASA-N 1 3 378.477 -0.260 20 0 GBADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680775 1073072509 /nfs/dbraw/zinc/07/25/09/1073072509.db2.gz KUDBJSKQFUILCL-XQQFMLRXSA-N 1 3 378.477 -0.260 20 0 GBADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680775 1073072498 /nfs/dbraw/zinc/07/24/98/1073072498.db2.gz KUDBJSKQFUILCL-XQQFMLRXSA-N 1 3 378.477 -0.260 20 0 GBADHO C[N@@H+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccccc1 ZINC000659681085 1073073076 /nfs/dbraw/zinc/07/30/76/1073073076.db2.gz CJIBIXKJRIOPBW-UHFFFAOYSA-N 1 3 386.456 -0.105 20 0 GBADHO C[N@H+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccccc1 ZINC000659681085 1073073061 /nfs/dbraw/zinc/07/30/61/1073073061.db2.gz CJIBIXKJRIOPBW-UHFFFAOYSA-N 1 3 386.456 -0.105 20 0 GBADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659681145 1073072839 /nfs/dbraw/zinc/07/28/39/1073072839.db2.gz PNLGHXWGNBCWIC-GFCCVEGCSA-N 1 3 378.477 -0.116 20 0 GBADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659681145 1073072830 /nfs/dbraw/zinc/07/28/30/1073072830.db2.gz PNLGHXWGNBCWIC-GFCCVEGCSA-N 1 3 378.477 -0.116 20 0 GBADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659681146 1073072363 /nfs/dbraw/zinc/07/23/63/1073072363.db2.gz PNLGHXWGNBCWIC-LBPRGKRZSA-N 1 3 378.477 -0.116 20 0 GBADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659681146 1073072350 /nfs/dbraw/zinc/07/23/50/1073072350.db2.gz PNLGHXWGNBCWIC-LBPRGKRZSA-N 1 3 378.477 -0.116 20 0 GBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659687787 1073075181 /nfs/dbraw/zinc/07/51/81/1073075181.db2.gz MZZRPJHAAVEVDT-CYBMUJFWSA-N 1 3 378.477 -0.259 20 0 GBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659687787 1073075171 /nfs/dbraw/zinc/07/51/71/1073075171.db2.gz MZZRPJHAAVEVDT-CYBMUJFWSA-N 1 3 378.477 -0.259 20 0 GBADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659687788 1073075735 /nfs/dbraw/zinc/07/57/35/1073075735.db2.gz MZZRPJHAAVEVDT-ZDUSSCGKSA-N 1 3 378.477 -0.259 20 0 GBADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659687788 1073075725 /nfs/dbraw/zinc/07/57/25/1073075725.db2.gz MZZRPJHAAVEVDT-ZDUSSCGKSA-N 1 3 378.477 -0.259 20 0 GBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659697017 1073078071 /nfs/dbraw/zinc/07/80/71/1073078071.db2.gz FZCMXFBEQHFRBR-BETUJISGSA-N 1 3 378.477 -0.259 20 0 GBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659697017 1073078066 /nfs/dbraw/zinc/07/80/66/1073078066.db2.gz FZCMXFBEQHFRBR-BETUJISGSA-N 1 3 378.477 -0.259 20 0 GBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659697018 1073078082 /nfs/dbraw/zinc/07/80/82/1073078082.db2.gz FZCMXFBEQHFRBR-CHWSQXEVSA-N 1 3 378.477 -0.259 20 0 GBADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659697020 1073078583 /nfs/dbraw/zinc/07/85/83/1073078583.db2.gz FZCMXFBEQHFRBR-STQMWFEESA-N 1 3 378.477 -0.259 20 0 GBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659698703 1073079412 /nfs/dbraw/zinc/07/94/12/1073079412.db2.gz KGYPZWUKUIVMSW-CYBMUJFWSA-N 1 3 378.477 -0.115 20 0 GBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659698703 1073079405 /nfs/dbraw/zinc/07/94/05/1073079405.db2.gz KGYPZWUKUIVMSW-CYBMUJFWSA-N 1 3 378.477 -0.115 20 0 GBADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659698708 1073079119 /nfs/dbraw/zinc/07/91/19/1073079119.db2.gz KGYPZWUKUIVMSW-ZDUSSCGKSA-N 1 3 378.477 -0.115 20 0 GBADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659698708 1073079115 /nfs/dbraw/zinc/07/91/15/1073079115.db2.gz KGYPZWUKUIVMSW-ZDUSSCGKSA-N 1 3 378.477 -0.115 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659699416 1073078899 /nfs/dbraw/zinc/07/88/99/1073078899.db2.gz PHBCXEHZDFGPKQ-HNNXBMFYSA-N 1 3 398.467 -0.105 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659699416 1073078890 /nfs/dbraw/zinc/07/88/90/1073078890.db2.gz PHBCXEHZDFGPKQ-HNNXBMFYSA-N 1 3 398.467 -0.105 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659699418 1073079051 /nfs/dbraw/zinc/07/90/51/1073079051.db2.gz PHBCXEHZDFGPKQ-OAHLLOKOSA-N 1 3 398.467 -0.105 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659699418 1073079048 /nfs/dbraw/zinc/07/90/48/1073079048.db2.gz PHBCXEHZDFGPKQ-OAHLLOKOSA-N 1 3 398.467 -0.105 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000659699578 1073078844 /nfs/dbraw/zinc/07/88/44/1073078844.db2.gz YEKXKOCPBNZTIH-UHFFFAOYSA-N 1 3 398.467 -0.178 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000659699578 1073078840 /nfs/dbraw/zinc/07/88/40/1073078840.db2.gz YEKXKOCPBNZTIH-UHFFFAOYSA-N 1 3 398.467 -0.178 20 0 GBADHO CC1CC[NH+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659699735 1073079087 /nfs/dbraw/zinc/07/90/87/1073079087.db2.gz VDFIFCQRIICSNC-UHFFFAOYSA-N 1 3 378.477 -0.115 20 0 GBADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000659699887 1073079192 /nfs/dbraw/zinc/07/91/92/1073079192.db2.gz XGTTXYDYQURLKL-OWCLPIDISA-N 1 3 381.521 -0.369 20 0 GBADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000659699908 1073078991 /nfs/dbraw/zinc/07/89/91/1073078991.db2.gz XGTTXYDYQURLKL-PMPSAXMXSA-N 1 3 381.521 -0.369 20 0 GBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659711270 1073080826 /nfs/dbraw/zinc/08/08/26/1073080826.db2.gz WQYSWRUHDPUCKU-UHFFFAOYSA-N 1 3 388.516 -0.569 20 0 GBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722344 1073082740 /nfs/dbraw/zinc/08/27/40/1073082740.db2.gz DOLODFOPWDSYMG-CHWSQXEVSA-N 1 3 393.454 -0.072 20 0 GBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722346 1073082056 /nfs/dbraw/zinc/08/20/56/1073082056.db2.gz DOLODFOPWDSYMG-OLZOCXBDSA-N 1 3 393.454 -0.072 20 0 GBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722349 1073082235 /nfs/dbraw/zinc/08/22/35/1073082235.db2.gz DOLODFOPWDSYMG-QWHCGFSZSA-N 1 3 393.454 -0.072 20 0 GBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722351 1073082150 /nfs/dbraw/zinc/08/21/50/1073082150.db2.gz DOLODFOPWDSYMG-STQMWFEESA-N 1 3 393.454 -0.072 20 0 GBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659722678 1073082613 /nfs/dbraw/zinc/08/26/13/1073082613.db2.gz FXHUYWSMMKKRMM-GOSISDBHSA-N 1 3 389.500 -0.096 20 0 GBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659722679 1073082528 /nfs/dbraw/zinc/08/25/28/1073082528.db2.gz FXHUYWSMMKKRMM-SFHVURJKSA-N 1 3 389.500 -0.096 20 0 GBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723301 1073082019 /nfs/dbraw/zinc/08/20/19/1073082019.db2.gz IVEKUFWORRRDAF-CHWSQXEVSA-N 1 3 379.427 -0.461 20 0 GBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723303 1073082421 /nfs/dbraw/zinc/08/24/21/1073082421.db2.gz IVEKUFWORRRDAF-OLZOCXBDSA-N 1 3 379.427 -0.461 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723307 1073082835 /nfs/dbraw/zinc/08/28/35/1073082835.db2.gz IVEKUFWORRRDAF-QWHCGFSZSA-N 1 3 379.427 -0.461 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723310 1073082798 /nfs/dbraw/zinc/08/27/98/1073082798.db2.gz IVEKUFWORRRDAF-STQMWFEESA-N 1 3 379.427 -0.461 20 0 GBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCCO1 ZINC000659727394 1073084478 /nfs/dbraw/zinc/08/44/78/1073084478.db2.gz FFFYWUOKVZXKBZ-GOSISDBHSA-N 1 3 389.500 -0.014 20 0 GBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCCO1 ZINC000659727395 1073084138 /nfs/dbraw/zinc/08/41/38/1073084138.db2.gz FFFYWUOKVZXKBZ-SFHVURJKSA-N 1 3 389.500 -0.014 20 0 GBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000659728075 1073085592 /nfs/dbraw/zinc/08/55/92/1073085592.db2.gz IDTRJPNEJWASQA-CRAIPNDOSA-N 1 3 389.500 -0.016 20 0 GBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000659728078 1073085271 /nfs/dbraw/zinc/08/52/71/1073085271.db2.gz IDTRJPNEJWASQA-MAUKXSAKSA-N 1 3 389.500 -0.016 20 0 GBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000659728080 1073085549 /nfs/dbraw/zinc/08/55/49/1073085549.db2.gz IDTRJPNEJWASQA-QAPCUYQASA-N 1 3 389.500 -0.016 20 0 GBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000659728083 1073085739 /nfs/dbraw/zinc/08/57/39/1073085739.db2.gz IDTRJPNEJWASQA-YJBOKZPZSA-N 1 3 389.500 -0.016 20 0 GBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659728960 1073086231 /nfs/dbraw/zinc/08/62/31/1073086231.db2.gz PNRSJRXESLEZHI-KRWDZBQOSA-N 1 3 375.473 -0.486 20 0 GBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659728961 1073086449 /nfs/dbraw/zinc/08/64/49/1073086449.db2.gz PNRSJRXESLEZHI-QGZVFWFLSA-N 1 3 375.473 -0.486 20 0 GBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000659729036 1073086278 /nfs/dbraw/zinc/08/62/78/1073086278.db2.gz LPCFEIOWCLPSRE-KRWDZBQOSA-N 1 3 375.473 -0.404 20 0 GBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000659729037 1073086550 /nfs/dbraw/zinc/08/65/50/1073086550.db2.gz LPCFEIOWCLPSRE-QGZVFWFLSA-N 1 3 375.473 -0.404 20 0 GBADHO CN1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659730943 1073092246 /nfs/dbraw/zinc/09/22/46/1073092246.db2.gz VVAIKEBTSVCBJG-GOSISDBHSA-N 1 3 388.516 -0.489 20 0 GBADHO CN1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000659730944 1073091847 /nfs/dbraw/zinc/09/18/47/1073091847.db2.gz VVAIKEBTSVCBJG-SFHVURJKSA-N 1 3 388.516 -0.489 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000659735830 1073089487 /nfs/dbraw/zinc/08/94/87/1073089487.db2.gz JYNUNIXXJGDLSC-GFCCVEGCSA-N 1 3 376.461 -0.220 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000659735830 1073089476 /nfs/dbraw/zinc/08/94/76/1073089476.db2.gz JYNUNIXXJGDLSC-GFCCVEGCSA-N 1 3 376.461 -0.220 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000659735832 1073090149 /nfs/dbraw/zinc/09/01/49/1073090149.db2.gz JYNUNIXXJGDLSC-LBPRGKRZSA-N 1 3 376.461 -0.220 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000659735832 1073090139 /nfs/dbraw/zinc/09/01/39/1073090139.db2.gz JYNUNIXXJGDLSC-LBPRGKRZSA-N 1 3 376.461 -0.220 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000659738685 1073091769 /nfs/dbraw/zinc/09/17/69/1073091769.db2.gz IKXHVXRUNAIVOY-INIZCTEOSA-N 1 3 381.521 -0.306 20 0 GBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000659738686 1073092035 /nfs/dbraw/zinc/09/20/35/1073092035.db2.gz IKXHVXRUNAIVOY-MRXNPFEDSA-N 1 3 381.521 -0.306 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659739289 1073091217 /nfs/dbraw/zinc/09/12/17/1073091217.db2.gz QHPQXQCFJHFBTQ-IKGGRYGDSA-N 1 3 393.532 -0.306 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659739290 1073090486 /nfs/dbraw/zinc/09/04/86/1073090486.db2.gz QHPQXQCFJHFBTQ-IXDOHACOSA-N 1 3 393.532 -0.306 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659739291 1073091499 /nfs/dbraw/zinc/09/14/99/1073091499.db2.gz QHPQXQCFJHFBTQ-ULQDDVLXSA-N 1 3 393.532 -0.306 20 0 GBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659739292 1073090648 /nfs/dbraw/zinc/09/06/48/1073090648.db2.gz QHPQXQCFJHFBTQ-YESZJQIVSA-N 1 3 393.532 -0.306 20 0 GBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659747391 1073095452 /nfs/dbraw/zinc/09/54/52/1073095452.db2.gz DHVPLBPEKONBMF-AWEZNQCLSA-N 1 3 394.476 -0.784 20 0 GBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659747393 1073096116 /nfs/dbraw/zinc/09/61/16/1073096116.db2.gz DHVPLBPEKONBMF-CQSZACIVSA-N 1 3 394.476 -0.784 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000659747594 1073094344 /nfs/dbraw/zinc/09/43/44/1073094344.db2.gz FTVYNVLFELVZMF-UHFFFAOYSA-N 1 3 376.461 -0.266 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659747838 1073096486 /nfs/dbraw/zinc/09/64/86/1073096486.db2.gz KQCPOPVBKSRAQA-DOMZBBRYSA-N 1 3 388.472 -0.268 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659747838 1073096474 /nfs/dbraw/zinc/09/64/74/1073096474.db2.gz KQCPOPVBKSRAQA-DOMZBBRYSA-N 1 3 388.472 -0.268 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659747839 1073097477 /nfs/dbraw/zinc/09/74/77/1073097477.db2.gz KQCPOPVBKSRAQA-IUODEOHRSA-N 1 3 388.472 -0.268 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659747839 1073097464 /nfs/dbraw/zinc/09/74/64/1073097464.db2.gz KQCPOPVBKSRAQA-IUODEOHRSA-N 1 3 388.472 -0.268 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659747840 1073097183 /nfs/dbraw/zinc/09/71/83/1073097183.db2.gz KQCPOPVBKSRAQA-SWLSCSKDSA-N 1 3 388.472 -0.268 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659747840 1073097173 /nfs/dbraw/zinc/09/71/73/1073097173.db2.gz KQCPOPVBKSRAQA-SWLSCSKDSA-N 1 3 388.472 -0.268 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659747841 1073096535 /nfs/dbraw/zinc/09/65/35/1073096535.db2.gz KQCPOPVBKSRAQA-WFASDCNBSA-N 1 3 388.472 -0.268 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659747841 1073096524 /nfs/dbraw/zinc/09/65/24/1073096524.db2.gz KQCPOPVBKSRAQA-WFASDCNBSA-N 1 3 388.472 -0.268 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000659748108 1073096612 /nfs/dbraw/zinc/09/66/12/1073096612.db2.gz CUVGUUTXKLBECA-UHFFFAOYSA-N 1 3 376.461 -0.409 20 0 GBADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748191 1073095785 /nfs/dbraw/zinc/09/57/85/1073095785.db2.gz GEJJXWVLMIOVAH-UHFFFAOYSA-N 1 3 378.477 -0.163 20 0 GBADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748275 1073095593 /nfs/dbraw/zinc/09/55/93/1073095593.db2.gz RVQQIKCRTIRTGI-UHFFFAOYSA-N 1 3 378.477 -0.163 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000659748320 1073095808 /nfs/dbraw/zinc/09/58/08/1073095808.db2.gz SWINFRUVRLXHKC-AWEZNQCLSA-N 1 3 376.461 -0.266 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000659748322 1073096177 /nfs/dbraw/zinc/09/61/77/1073096177.db2.gz SWINFRUVRLXHKC-CQSZACIVSA-N 1 3 376.461 -0.266 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000659748623 1073096105 /nfs/dbraw/zinc/09/61/05/1073096105.db2.gz KDYBRLJMZVGSQA-AWEZNQCLSA-N 1 3 376.461 -0.266 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000659748625 1073095282 /nfs/dbraw/zinc/09/52/82/1073095282.db2.gz KDYBRLJMZVGSQA-CQSZACIVSA-N 1 3 376.461 -0.266 20 0 GBADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748842 1073098396 /nfs/dbraw/zinc/09/83/96/1073098396.db2.gz MXDXTFMJKRUACC-UHFFFAOYSA-N 1 3 378.477 -0.164 20 0 GBADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748842 1073098387 /nfs/dbraw/zinc/09/83/87/1073098387.db2.gz MXDXTFMJKRUACC-UHFFFAOYSA-N 1 3 378.477 -0.164 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000659749074 1073098441 /nfs/dbraw/zinc/09/84/41/1073098441.db2.gz RHMKCLVGBAPFEA-UHFFFAOYSA-N 1 3 376.461 -0.266 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000659749074 1073098429 /nfs/dbraw/zinc/09/84/29/1073098429.db2.gz RHMKCLVGBAPFEA-UHFFFAOYSA-N 1 3 376.461 -0.266 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000659749593 1073097852 /nfs/dbraw/zinc/09/78/52/1073097852.db2.gz ZFVMBOCQWGRKEC-AWEZNQCLSA-N 1 3 376.461 -0.266 20 0 GBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000659749594 1073098591 /nfs/dbraw/zinc/09/85/91/1073098591.db2.gz ZFVMBOCQWGRKEC-CQSZACIVSA-N 1 3 376.461 -0.266 20 0 GBADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)CC1 ZINC000659749636 1073097524 /nfs/dbraw/zinc/09/75/24/1073097524.db2.gz ZZFUEOGYARJSMZ-CYBMUJFWSA-N 1 3 376.461 -0.553 20 0 GBADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)CC1 ZINC000659749637 1073096829 /nfs/dbraw/zinc/09/68/29/1073096829.db2.gz ZZFUEOGYARJSMZ-ZDUSSCGKSA-N 1 3 376.461 -0.553 20 0 GBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000659749849 1073099450 /nfs/dbraw/zinc/09/94/50/1073099450.db2.gz BXQHOLPLRPMSHY-KRWDZBQOSA-N 1 3 375.517 -0.013 20 0 GBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000659749850 1073099250 /nfs/dbraw/zinc/09/92/50/1073099250.db2.gz BXQHOLPLRPMSHY-QGZVFWFLSA-N 1 3 375.517 -0.013 20 0 GBADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659787184 1073111189 /nfs/dbraw/zinc/11/11/89/1073111189.db2.gz YUPJFNSPBJNFFL-DLBZAZTESA-N 1 3 391.516 -0.552 20 0 GBADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659787184 1073111184 /nfs/dbraw/zinc/11/11/84/1073111184.db2.gz YUPJFNSPBJNFFL-DLBZAZTESA-N 1 3 391.516 -0.552 20 0 GBADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659787185 1073111231 /nfs/dbraw/zinc/11/12/31/1073111231.db2.gz YUPJFNSPBJNFFL-IAGOWNOFSA-N 1 3 391.516 -0.552 20 0 GBADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659787185 1073111225 /nfs/dbraw/zinc/11/12/25/1073111225.db2.gz YUPJFNSPBJNFFL-IAGOWNOFSA-N 1 3 391.516 -0.552 20 0 GBADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659787186 1073110749 /nfs/dbraw/zinc/11/07/49/1073110749.db2.gz YUPJFNSPBJNFFL-IRXDYDNUSA-N 1 3 391.516 -0.552 20 0 GBADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659787186 1073110739 /nfs/dbraw/zinc/11/07/39/1073110739.db2.gz YUPJFNSPBJNFFL-IRXDYDNUSA-N 1 3 391.516 -0.552 20 0 GBADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659787187 1073111002 /nfs/dbraw/zinc/11/10/02/1073111002.db2.gz YUPJFNSPBJNFFL-SJORKVTESA-N 1 3 391.516 -0.552 20 0 GBADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659787187 1073110997 /nfs/dbraw/zinc/11/09/97/1073110997.db2.gz YUPJFNSPBJNFFL-SJORKVTESA-N 1 3 391.516 -0.552 20 0 GBADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660270621 1073315772 /nfs/dbraw/zinc/31/57/72/1073315772.db2.gz KOSFYDLVLRRVJQ-DLBZAZTESA-N 1 3 393.532 -0.448 20 0 GBADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660270621 1073315766 /nfs/dbraw/zinc/31/57/66/1073315766.db2.gz KOSFYDLVLRRVJQ-DLBZAZTESA-N 1 3 393.532 -0.448 20 0 GBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660270624 1073315564 /nfs/dbraw/zinc/31/55/64/1073315564.db2.gz KOSFYDLVLRRVJQ-IAGOWNOFSA-N 1 3 393.532 -0.448 20 0 GBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660270624 1073315561 /nfs/dbraw/zinc/31/55/61/1073315561.db2.gz KOSFYDLVLRRVJQ-IAGOWNOFSA-N 1 3 393.532 -0.448 20 0 GBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660270625 1073315890 /nfs/dbraw/zinc/31/58/90/1073315890.db2.gz KOSFYDLVLRRVJQ-IRXDYDNUSA-N 1 3 393.532 -0.448 20 0 GBADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660270625 1073315886 /nfs/dbraw/zinc/31/58/86/1073315886.db2.gz KOSFYDLVLRRVJQ-IRXDYDNUSA-N 1 3 393.532 -0.448 20 0 GBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660270627 1073315816 /nfs/dbraw/zinc/31/58/16/1073315816.db2.gz KOSFYDLVLRRVJQ-SJORKVTESA-N 1 3 393.532 -0.448 20 0 GBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660270627 1073315809 /nfs/dbraw/zinc/31/58/09/1073315809.db2.gz KOSFYDLVLRRVJQ-SJORKVTESA-N 1 3 393.532 -0.448 20 0 GBADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)CC2 ZINC000660279132 1073316733 /nfs/dbraw/zinc/31/67/33/1073316733.db2.gz YOUPDCDHRKCSST-FGTMMUONSA-N 1 3 377.533 -0.080 20 0 GBADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000660279132 1073316729 /nfs/dbraw/zinc/31/67/29/1073316729.db2.gz YOUPDCDHRKCSST-FGTMMUONSA-N 1 3 377.533 -0.080 20 0 GBADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)CC2 ZINC000660279133 1073316306 /nfs/dbraw/zinc/31/63/06/1073316306.db2.gz YOUPDCDHRKCSST-SQNIBIBYSA-N 1 3 377.533 -0.080 20 0 GBADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000660279133 1073316299 /nfs/dbraw/zinc/31/62/99/1073316299.db2.gz YOUPDCDHRKCSST-SQNIBIBYSA-N 1 3 377.533 -0.080 20 0 GBADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000660348845 1073324258 /nfs/dbraw/zinc/32/42/58/1073324258.db2.gz GOXHEBNXUCMSBS-DLBZAZTESA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000660348845 1073324251 /nfs/dbraw/zinc/32/42/51/1073324251.db2.gz GOXHEBNXUCMSBS-DLBZAZTESA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000660348850 1073323714 /nfs/dbraw/zinc/32/37/14/1073323714.db2.gz GOXHEBNXUCMSBS-IAGOWNOFSA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000660348850 1073323701 /nfs/dbraw/zinc/32/37/01/1073323701.db2.gz GOXHEBNXUCMSBS-IAGOWNOFSA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000660348854 1073324137 /nfs/dbraw/zinc/32/41/37/1073324137.db2.gz GOXHEBNXUCMSBS-IRXDYDNUSA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000660348854 1073324131 /nfs/dbraw/zinc/32/41/31/1073324131.db2.gz GOXHEBNXUCMSBS-IRXDYDNUSA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000660348859 1073323904 /nfs/dbraw/zinc/32/39/04/1073323904.db2.gz GOXHEBNXUCMSBS-SJORKVTESA-N 1 3 393.532 -0.306 20 0 GBADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000660348859 1073323894 /nfs/dbraw/zinc/32/38/94/1073323894.db2.gz GOXHEBNXUCMSBS-SJORKVTESA-N 1 3 393.532 -0.306 20 0 GBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000660993222 1073400795 /nfs/dbraw/zinc/40/07/95/1073400795.db2.gz BIXVGZVVBQNPLF-DLBZAZTESA-N 1 3 393.532 -0.260 20 0 GBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000660993223 1073400897 /nfs/dbraw/zinc/40/08/97/1073400897.db2.gz BIXVGZVVBQNPLF-IAGOWNOFSA-N 1 3 393.532 -0.260 20 0 GBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000660993224 1073401191 /nfs/dbraw/zinc/40/11/91/1073401191.db2.gz BIXVGZVVBQNPLF-IRXDYDNUSA-N 1 3 393.532 -0.260 20 0 GBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000660993225 1073400949 /nfs/dbraw/zinc/40/09/49/1073400949.db2.gz BIXVGZVVBQNPLF-SJORKVTESA-N 1 3 393.532 -0.260 20 0 GBADHO C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C)O)CC1 ZINC000661774330 1073492386 /nfs/dbraw/zinc/49/23/86/1073492386.db2.gz XLKHBSNGNWYNGE-BRSBDYLESA-N 1 3 396.532 -0.652 20 0 GBADHO C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C)O)CC1 ZINC000661774330 1073492383 /nfs/dbraw/zinc/49/23/83/1073492383.db2.gz XLKHBSNGNWYNGE-BRSBDYLESA-N 1 3 396.532 -0.652 20 0 GBADHO C[C@H](O)[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661774331 1073492325 /nfs/dbraw/zinc/49/23/25/1073492325.db2.gz XLKHBSNGNWYNGE-WNRNVDISSA-N 1 3 396.532 -0.652 20 0 GBADHO C[C@H](O)[C@H]1CCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661774331 1073492319 /nfs/dbraw/zinc/49/23/19/1073492319.db2.gz XLKHBSNGNWYNGE-WNRNVDISSA-N 1 3 396.532 -0.652 20 0 GBADHO O=C(CN1CCC2(COC2)C1)N1CCN(C(=O)C[N@H+]2CCC3(COC3)C2)CC1 ZINC000662076813 1073525617 /nfs/dbraw/zinc/52/56/17/1073525617.db2.gz VHVBFEHUSOREHX-UHFFFAOYSA-N 1 3 392.500 -0.898 20 0 GBADHO O=C(CN1CCC2(COC2)C1)N1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662076813 1073525606 /nfs/dbraw/zinc/52/56/06/1073525606.db2.gz VHVBFEHUSOREHX-UHFFFAOYSA-N 1 3 392.500 -0.898 20 0 GBADHO Cc1ccccc1CN1CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662289214 1073556273 /nfs/dbraw/zinc/55/62/73/1073556273.db2.gz YCLDAVHLYGSCNH-IBGZPJMESA-N 1 3 378.517 -0.357 20 0 GBADHO Cc1ccccc1CN1CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662289215 1073556459 /nfs/dbraw/zinc/55/64/59/1073556459.db2.gz YCLDAVHLYGSCNH-LJQANCHMSA-N 1 3 378.517 -0.357 20 0 GBADHO Cn1c(=O)cc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)c1=O ZINC000662336171 1073560402 /nfs/dbraw/zinc/56/04/02/1073560402.db2.gz XFBZYVFDVYEEKJ-AWEZNQCLSA-N 1 3 387.488 -0.404 20 0 GBADHO Cn1c(=O)cc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)c1=O ZINC000662336174 1073560776 /nfs/dbraw/zinc/56/07/76/1073560776.db2.gz XFBZYVFDVYEEKJ-CQSZACIVSA-N 1 3 387.488 -0.404 20 0 GBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662437428 1073565176 /nfs/dbraw/zinc/56/51/76/1073565176.db2.gz POSYUAKPDXPPLK-HNNXBMFYSA-N 1 3 377.493 -0.125 20 0 GBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662437430 1073565689 /nfs/dbraw/zinc/56/56/89/1073565689.db2.gz POSYUAKPDXPPLK-OAHLLOKOSA-N 1 3 377.493 -0.125 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662443925 1073566098 /nfs/dbraw/zinc/56/60/98/1073566098.db2.gz BEDFABCZBINQHU-UHFFFAOYSA-N 1 3 377.493 -0.171 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662445546 1073566129 /nfs/dbraw/zinc/56/61/29/1073566129.db2.gz SRDXXIVWQMEKCC-UHFFFAOYSA-N 1 3 375.477 -0.417 20 0 GBADHO [NH3+]CCn1cc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)nn1 ZINC000662529087 1073575008 /nfs/dbraw/zinc/57/50/08/1073575008.db2.gz OGKDWFIWRGWDPA-UHFFFAOYSA-N 1 3 385.472 -0.008 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662715549 1073410652 /nfs/dbraw/zinc/41/06/52/1073410652.db2.gz JZZYJJUTNSRHSR-INIZCTEOSA-N 1 3 389.504 -0.027 20 0 GBADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662715551 1073410746 /nfs/dbraw/zinc/41/07/46/1073410746.db2.gz JZZYJJUTNSRHSR-MRXNPFEDSA-N 1 3 389.504 -0.027 20 0 GBADHO CC(C)OC[C@H]([NH3+])C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000662791938 1073428021 /nfs/dbraw/zinc/42/80/21/1073428021.db2.gz TZQWWWGPQQOKTM-KRWDZBQOSA-N 1 3 383.537 -0.565 20 0 GBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662921173 1073469006 /nfs/dbraw/zinc/46/90/06/1073469006.db2.gz FBKPHIDOUUMHKU-HNNXBMFYSA-N 1 3 391.520 -0.455 20 0 GBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662921174 1073469037 /nfs/dbraw/zinc/46/90/37/1073469037.db2.gz FBKPHIDOUUMHKU-OAHLLOKOSA-N 1 3 391.520 -0.455 20 0 GBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000662942791 1073478154 /nfs/dbraw/zinc/47/81/54/1073478154.db2.gz KQEWFROJFDIVRE-HNNXBMFYSA-N 1 3 381.521 -0.497 20 0 GBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000662942792 1073478085 /nfs/dbraw/zinc/47/80/85/1073478085.db2.gz KQEWFROJFDIVRE-OAHLLOKOSA-N 1 3 381.521 -0.497 20 0 GBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662946533 1073480431 /nfs/dbraw/zinc/48/04/31/1073480431.db2.gz VRUFKKBSBQYBHI-GXTWGEPZSA-N 1 3 376.461 -0.410 20 0 GBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662946533 1073480424 /nfs/dbraw/zinc/48/04/24/1073480424.db2.gz VRUFKKBSBQYBHI-GXTWGEPZSA-N 1 3 376.461 -0.410 20 0 GBADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662946534 1073479955 /nfs/dbraw/zinc/47/99/55/1073479955.db2.gz VRUFKKBSBQYBHI-JSGCOSHPSA-N 1 3 376.461 -0.410 20 0 GBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662946534 1073479951 /nfs/dbraw/zinc/47/99/51/1073479951.db2.gz VRUFKKBSBQYBHI-JSGCOSHPSA-N 1 3 376.461 -0.410 20 0 GBADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662946535 1073479926 /nfs/dbraw/zinc/47/99/26/1073479926.db2.gz VRUFKKBSBQYBHI-OCCSQVGLSA-N 1 3 376.461 -0.410 20 0 GBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662946535 1073479918 /nfs/dbraw/zinc/47/99/18/1073479918.db2.gz VRUFKKBSBQYBHI-OCCSQVGLSA-N 1 3 376.461 -0.410 20 0 GBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662946536 1073480322 /nfs/dbraw/zinc/48/03/22/1073480322.db2.gz VRUFKKBSBQYBHI-TZMCWYRMSA-N 1 3 376.461 -0.410 20 0 GBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662946536 1073480315 /nfs/dbraw/zinc/48/03/15/1073480315.db2.gz VRUFKKBSBQYBHI-TZMCWYRMSA-N 1 3 376.461 -0.410 20 0 GBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@H](C[NH3+])C1 ZINC000662984731 1073490417 /nfs/dbraw/zinc/49/04/17/1073490417.db2.gz UKHQYFMCRVQZKJ-OWCLPIDISA-N 1 3 379.505 -0.663 20 0 GBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@H](C[NH3+])C1 ZINC000662984732 1073490686 /nfs/dbraw/zinc/49/06/86/1073490686.db2.gz UKHQYFMCRVQZKJ-PMPSAXMXSA-N 1 3 379.505 -0.663 20 0 GBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000662986331 1073490738 /nfs/dbraw/zinc/49/07/38/1073490738.db2.gz LMNLPMKXFRAWTE-CVEARBPZSA-N 1 3 379.505 -0.661 20 0 GBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662987534 1073490749 /nfs/dbraw/zinc/49/07/49/1073490749.db2.gz VPPSTJFRTHIKQW-CVEARBPZSA-N 1 3 381.521 -0.415 20 0 GBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019162 1073495809 /nfs/dbraw/zinc/49/58/09/1073495809.db2.gz QZEVINHZOBIAKC-KDOFPFPSSA-N 1 3 391.520 -0.375 20 0 GBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019163 1073497001 /nfs/dbraw/zinc/49/70/01/1073497001.db2.gz QZEVINHZOBIAKC-KSSFIOAISA-N 1 3 391.520 -0.375 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000663548198 530161473 /nfs/dbraw/zinc/16/14/73/530161473.db2.gz UXCVPETUBDMWBC-AWEZNQCLSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000663548198 530161468 /nfs/dbraw/zinc/16/14/68/530161468.db2.gz UXCVPETUBDMWBC-AWEZNQCLSA-N 1 3 377.555 -0.018 20 0 GBADHO Cc1c(N2CCCN(CCO)CC2)ncnc1N1CCC[N@@H+](CCO)CC1 ZINC000663549238 1073610908 /nfs/dbraw/zinc/61/09/08/1073610908.db2.gz NFLZDFHBCTWMOG-UHFFFAOYSA-N 1 3 378.521 -0.206 20 0 GBADHO Cc1c(N2CCCN(CCO)CC2)ncnc1N1CCC[N@H+](CCO)CC1 ZINC000663549238 1073610891 /nfs/dbraw/zinc/61/08/91/1073610891.db2.gz NFLZDFHBCTWMOG-UHFFFAOYSA-N 1 3 378.521 -0.206 20 0 GBADHO CN(C)CCn1c2cc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)ccc2oc1=O ZINC000663614191 1073624183 /nfs/dbraw/zinc/62/41/83/1073624183.db2.gz ONPORBDIXSZLTI-GOSISDBHSA-N 1 3 375.429 -0.037 20 0 GBADHO CN(C)CCn1c2cc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)ccc2oc1=O ZINC000663614192 1073624025 /nfs/dbraw/zinc/62/40/25/1073624025.db2.gz ONPORBDIXSZLTI-SFHVURJKSA-N 1 3 375.429 -0.037 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000663812780 530162681 /nfs/dbraw/zinc/16/26/81/530162681.db2.gz RAWOKOYQTLMUHK-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000663812780 530162678 /nfs/dbraw/zinc/16/26/78/530162678.db2.gz RAWOKOYQTLMUHK-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000663812783 530162698 /nfs/dbraw/zinc/16/26/98/530162698.db2.gz RAWOKOYQTLMUHK-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000663812783 530162696 /nfs/dbraw/zinc/16/26/96/530162696.db2.gz RAWOKOYQTLMUHK-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000663915734 1073864525 /nfs/dbraw/zinc/86/45/25/1073864525.db2.gz IMLGWAIQZKMWFG-INIZCTEOSA-N 1 3 398.552 -0.410 20 0 GBADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000663915735 1073864911 /nfs/dbraw/zinc/86/49/11/1073864911.db2.gz IMLGWAIQZKMWFG-MRXNPFEDSA-N 1 3 398.552 -0.410 20 0 GBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000664050487 1073890245 /nfs/dbraw/zinc/89/02/45/1073890245.db2.gz BAZNNKGADQIBQQ-UHFFFAOYSA-N 1 3 398.552 -0.410 20 0 GBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000664174985 1073966271 /nfs/dbraw/zinc/96/62/71/1073966271.db2.gz NFKCQPFGVUTUOF-HNNXBMFYSA-N 1 3 384.525 -0.765 20 0 GBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000664174985 1073966267 /nfs/dbraw/zinc/96/62/67/1073966267.db2.gz NFKCQPFGVUTUOF-HNNXBMFYSA-N 1 3 384.525 -0.765 20 0 GBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000664174986 1073966310 /nfs/dbraw/zinc/96/63/10/1073966310.db2.gz NFKCQPFGVUTUOF-OAHLLOKOSA-N 1 3 384.525 -0.765 20 0 GBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000664174986 1073966307 /nfs/dbraw/zinc/96/63/07/1073966307.db2.gz NFKCQPFGVUTUOF-OAHLLOKOSA-N 1 3 384.525 -0.765 20 0 GBADHO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000664180068 1073970955 /nfs/dbraw/zinc/97/09/55/1073970955.db2.gz ZQVTXBXEVHWROK-INIZCTEOSA-N 1 3 398.552 -0.362 20 0 GBADHO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000664180068 1073970951 /nfs/dbraw/zinc/97/09/51/1073970951.db2.gz ZQVTXBXEVHWROK-INIZCTEOSA-N 1 3 398.552 -0.362 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000664518369 530164997 /nfs/dbraw/zinc/16/49/97/530164997.db2.gz NACBXHGTNMBNQL-GJZGRUSLSA-N 1 3 377.555 -0.161 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000664518369 530164995 /nfs/dbraw/zinc/16/49/95/530164995.db2.gz NACBXHGTNMBNQL-GJZGRUSLSA-N 1 3 377.555 -0.161 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000664518377 530165029 /nfs/dbraw/zinc/16/50/29/530165029.db2.gz NACBXHGTNMBNQL-LSDHHAIUSA-N 1 3 377.555 -0.161 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000664518377 530165027 /nfs/dbraw/zinc/16/50/27/530165027.db2.gz NACBXHGTNMBNQL-LSDHHAIUSA-N 1 3 377.555 -0.161 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000664521490 530164728 /nfs/dbraw/zinc/16/47/28/530164728.db2.gz XCAKMMRRZRRRRC-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000664521490 530164725 /nfs/dbraw/zinc/16/47/25/530164725.db2.gz XCAKMMRRZRRRRC-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO CN(C)S(=O)(=O)NCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000665015659 1073160558 /nfs/dbraw/zinc/16/05/58/1073160558.db2.gz NDQDIOZVZLWTPJ-UHFFFAOYSA-N 1 3 390.554 -0.760 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000665637356 1073497886 /nfs/dbraw/zinc/49/78/86/1073497886.db2.gz ANWFAJTTXBIHAT-INIZCTEOSA-N 1 3 382.553 -0.136 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000665637356 1073497881 /nfs/dbraw/zinc/49/78/81/1073497881.db2.gz ANWFAJTTXBIHAT-INIZCTEOSA-N 1 3 382.553 -0.136 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000665637541 530176605 /nfs/dbraw/zinc/17/66/05/530176605.db2.gz GPRZOPFKCBKVRS-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000665637541 530176603 /nfs/dbraw/zinc/17/66/03/530176603.db2.gz GPRZOPFKCBKVRS-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000665637635 1073497622 /nfs/dbraw/zinc/49/76/22/1073497622.db2.gz JPTFTHWOGGTYPM-HNNXBMFYSA-N 1 3 392.570 -0.608 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000665637635 1073497615 /nfs/dbraw/zinc/49/76/15/1073497615.db2.gz JPTFTHWOGGTYPM-HNNXBMFYSA-N 1 3 392.570 -0.608 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000665638011 530176656 /nfs/dbraw/zinc/17/66/56/530176656.db2.gz WCMWJIMJAPPTJK-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000665638011 530176655 /nfs/dbraw/zinc/17/66/55/530176655.db2.gz WCMWJIMJAPPTJK-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000665638012 530176477 /nfs/dbraw/zinc/17/64/77/530176477.db2.gz WCMWJIMJAPPTJK-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000665638012 530176474 /nfs/dbraw/zinc/17/64/74/530176474.db2.gz WCMWJIMJAPPTJK-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665638030 1073498054 /nfs/dbraw/zinc/49/80/54/1073498054.db2.gz WRMXXEBIHKZLAD-INIZCTEOSA-N 1 3 398.552 -0.363 20 0 GBADHO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665638030 1073498051 /nfs/dbraw/zinc/49/80/51/1073498051.db2.gz WRMXXEBIHKZLAD-INIZCTEOSA-N 1 3 398.552 -0.363 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000665639208 1073497703 /nfs/dbraw/zinc/49/77/03/1073497703.db2.gz PWLORPYPDPPSRT-HNNXBMFYSA-N 1 3 396.536 -0.609 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000665639208 1073497702 /nfs/dbraw/zinc/49/77/02/1073497702.db2.gz PWLORPYPDPPSRT-HNNXBMFYSA-N 1 3 396.536 -0.609 20 0 GBADHO CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665757534 530090015 /nfs/dbraw/zinc/09/00/15/530090015.db2.gz NEFJDTYRIITZAO-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665757534 530090013 /nfs/dbraw/zinc/09/00/13/530090013.db2.gz NEFJDTYRIITZAO-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665757535 530090277 /nfs/dbraw/zinc/09/02/77/530090277.db2.gz NEFJDTYRIITZAO-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665757535 530090275 /nfs/dbraw/zinc/09/02/75/530090275.db2.gz NEFJDTYRIITZAO-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665757654 530090327 /nfs/dbraw/zinc/09/03/27/530090327.db2.gz RHRABLVTHRVKNX-AWEZNQCLSA-N 1 3 377.555 -0.018 20 0 GBADHO CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665757654 530090325 /nfs/dbraw/zinc/09/03/25/530090325.db2.gz RHRABLVTHRVKNX-AWEZNQCLSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000665759426 530090563 /nfs/dbraw/zinc/09/05/63/530090563.db2.gz GLZYHFOPRNUZMS-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000665759426 530090560 /nfs/dbraw/zinc/09/05/60/530090560.db2.gz GLZYHFOPRNUZMS-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCN2C1=O ZINC000665759471 1073515528 /nfs/dbraw/zinc/51/55/28/1073515528.db2.gz IEDRXUKNKDFPKR-GJZGRUSLSA-N 1 3 382.509 -0.064 20 0 GBADHO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCN2C1=O ZINC000665759471 1073515515 /nfs/dbraw/zinc/51/55/15/1073515515.db2.gz IEDRXUKNKDFPKR-GJZGRUSLSA-N 1 3 382.509 -0.064 20 0 GBADHO CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCN2C1=O ZINC000665759472 1073516272 /nfs/dbraw/zinc/51/62/72/1073516272.db2.gz IEDRXUKNKDFPKR-LSDHHAIUSA-N 1 3 382.509 -0.064 20 0 GBADHO CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCN2C1=O ZINC000665759472 1073516259 /nfs/dbraw/zinc/51/62/59/1073516259.db2.gz IEDRXUKNKDFPKR-LSDHHAIUSA-N 1 3 382.509 -0.064 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000665759936 1073516054 /nfs/dbraw/zinc/51/60/54/1073516054.db2.gz UOSYUHOHSMHRFK-INIZCTEOSA-N 1 3 393.536 -0.116 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000665759936 1073516039 /nfs/dbraw/zinc/51/60/39/1073516039.db2.gz UOSYUHOHSMHRFK-INIZCTEOSA-N 1 3 393.536 -0.116 20 0 GBADHO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760049 530090621 /nfs/dbraw/zinc/09/06/21/530090621.db2.gz XSOJKYCEGJQQLK-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760049 530090619 /nfs/dbraw/zinc/09/06/19/530090619.db2.gz XSOJKYCEGJQQLK-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760050 530090870 /nfs/dbraw/zinc/09/08/70/530090870.db2.gz XSOJKYCEGJQQLK-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760050 530090869 /nfs/dbraw/zinc/09/08/69/530090869.db2.gz XSOJKYCEGJQQLK-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665760292 530091056 /nfs/dbraw/zinc/09/10/56/530091056.db2.gz FKOCFPVUKXGNTI-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665760292 530091053 /nfs/dbraw/zinc/09/10/53/530091053.db2.gz FKOCFPVUKXGNTI-GJZGRUSLSA-N 1 3 377.555 -0.018 20 0 GBADHO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665760293 530091235 /nfs/dbraw/zinc/09/12/35/530091235.db2.gz FKOCFPVUKXGNTI-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665760293 530091234 /nfs/dbraw/zinc/09/12/34/530091234.db2.gz FKOCFPVUKXGNTI-LSDHHAIUSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000665760436 1073516130 /nfs/dbraw/zinc/51/61/30/1073516130.db2.gz IVTHOSMQSMQGTD-AWEZNQCLSA-N 1 3 382.509 -0.016 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000665760436 1073516118 /nfs/dbraw/zinc/51/61/18/1073516118.db2.gz IVTHOSMQSMQGTD-AWEZNQCLSA-N 1 3 382.509 -0.016 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000665760464 530091116 /nfs/dbraw/zinc/09/11/16/530091116.db2.gz JCKIWWBILLLUQJ-GJZGRUSLSA-N 1 3 377.555 -0.066 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000665760464 530091114 /nfs/dbraw/zinc/09/11/14/530091114.db2.gz JCKIWWBILLLUQJ-GJZGRUSLSA-N 1 3 377.555 -0.066 20 0 GBADHO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665763107 1073515800 /nfs/dbraw/zinc/51/58/00/1073515800.db2.gz YYSLOQXQVJNPGL-AWEZNQCLSA-N 1 3 392.570 -0.514 20 0 GBADHO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665763107 1073515791 /nfs/dbraw/zinc/51/57/91/1073515791.db2.gz YYSLOQXQVJNPGL-AWEZNQCLSA-N 1 3 392.570 -0.514 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000665763208 530092103 /nfs/dbraw/zinc/09/21/03/530092103.db2.gz ZXCVPNLLJXMECT-GJZGRUSLSA-N 1 3 377.555 -0.066 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000665763208 530092101 /nfs/dbraw/zinc/09/21/01/530092101.db2.gz ZXCVPNLLJXMECT-GJZGRUSLSA-N 1 3 377.555 -0.066 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000665763209 530092143 /nfs/dbraw/zinc/09/21/43/530092143.db2.gz ZXCVPNLLJXMECT-LSDHHAIUSA-N 1 3 377.555 -0.066 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000665763209 530092142 /nfs/dbraw/zinc/09/21/42/530092142.db2.gz ZXCVPNLLJXMECT-LSDHHAIUSA-N 1 3 377.555 -0.066 20 0 GBADHO CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665763675 637409371 /nfs/dbraw/zinc/40/93/71/637409371.db2.gz IVEZPDQJBGGIRC-AWEZNQCLSA-N 1 3 378.543 -0.950 20 0 GBADHO CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665763675 637409366 /nfs/dbraw/zinc/40/93/66/637409366.db2.gz IVEZPDQJBGGIRC-AWEZNQCLSA-N 1 3 378.543 -0.950 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000665763692 637409276 /nfs/dbraw/zinc/40/92/76/637409276.db2.gz JCKIWWBILLLUQJ-LSDHHAIUSA-N 1 3 377.555 -0.066 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000665763692 637409272 /nfs/dbraw/zinc/40/92/72/637409272.db2.gz JCKIWWBILLLUQJ-LSDHHAIUSA-N 1 3 377.555 -0.066 20 0 GBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000668512591 1072203044 /nfs/dbraw/zinc/20/30/44/1072203044.db2.gz SPMZFXCRHLPMCY-SFHVURJKSA-N 1 3 397.564 -0.301 20 0 GBADHO COCCN1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668633425 1072382870 /nfs/dbraw/zinc/38/28/70/1072382870.db2.gz LOAGGMLZKXBUMN-QGZVFWFLSA-N 1 3 384.521 -0.217 20 0 GBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000671981488 1072473186 /nfs/dbraw/zinc/47/31/86/1072473186.db2.gz IZCRJQBJYZWLIV-HZPDHXFCSA-N 1 3 381.521 -0.319 20 0 GBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000671981488 1072473184 /nfs/dbraw/zinc/47/31/84/1072473184.db2.gz IZCRJQBJYZWLIV-HZPDHXFCSA-N 1 3 381.521 -0.319 20 0 GBADHO C[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007753 1072450124 /nfs/dbraw/zinc/45/01/24/1072450124.db2.gz MFFHWRJGSNKVGP-DOTOQJQBSA-N 1 3 395.548 -0.108 20 0 GBADHO C[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007761 1072450248 /nfs/dbraw/zinc/45/02/48/1072450248.db2.gz MFFHWRJGSNKVGP-RDJZCZTQSA-N 1 3 395.548 -0.108 20 0 GBADHO C[C@@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007762 1072450562 /nfs/dbraw/zinc/45/05/62/1072450562.db2.gz MFFHWRJGSNKVGP-WBVHZDCISA-N 1 3 395.548 -0.108 20 0 GBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685309065 1072562175 /nfs/dbraw/zinc/56/21/75/1072562175.db2.gz HAFQOEKNGLSYRQ-BPQIPLTHSA-N 1 3 377.533 -0.176 20 0 GBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685309065 1072562169 /nfs/dbraw/zinc/56/21/69/1072562169.db2.gz HAFQOEKNGLSYRQ-BPQIPLTHSA-N 1 3 377.533 -0.176 20 0 GBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685309069 1072562750 /nfs/dbraw/zinc/56/27/50/1072562750.db2.gz HAFQOEKNGLSYRQ-KBAYOESNSA-N 1 3 377.533 -0.176 20 0 GBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685309069 1072562744 /nfs/dbraw/zinc/56/27/44/1072562744.db2.gz HAFQOEKNGLSYRQ-KBAYOESNSA-N 1 3 377.533 -0.176 20 0 GBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685309070 1072562940 /nfs/dbraw/zinc/56/29/40/1072562940.db2.gz HAFQOEKNGLSYRQ-NJAFHUGGSA-N 1 3 377.533 -0.176 20 0 GBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685309070 1072562932 /nfs/dbraw/zinc/56/29/32/1072562932.db2.gz HAFQOEKNGLSYRQ-NJAFHUGGSA-N 1 3 377.533 -0.176 20 0 GBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685309071 1072563018 /nfs/dbraw/zinc/56/30/18/1072563018.db2.gz HAFQOEKNGLSYRQ-NXHRZFHOSA-N 1 3 377.533 -0.176 20 0 GBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685309071 1072563009 /nfs/dbraw/zinc/56/30/09/1072563009.db2.gz HAFQOEKNGLSYRQ-NXHRZFHOSA-N 1 3 377.533 -0.176 20 0 GBADHO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CN(C)CCO1 ZINC000685338712 1072586150 /nfs/dbraw/zinc/58/61/50/1072586150.db2.gz FAYWWATVQLWQAN-CGTJXYLNSA-N 1 3 395.548 -0.551 20 0 GBADHO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CN(C)CCO1 ZINC000685338712 1072586142 /nfs/dbraw/zinc/58/61/42/1072586142.db2.gz FAYWWATVQLWQAN-CGTJXYLNSA-N 1 3 395.548 -0.551 20 0 GBADHO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CN(C)CCO1 ZINC000685338714 1072580727 /nfs/dbraw/zinc/58/07/27/1072580727.db2.gz FAYWWATVQLWQAN-JQHSSLGASA-N 1 3 395.548 -0.551 20 0 GBADHO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CN(C)CCO1 ZINC000685338714 1072580718 /nfs/dbraw/zinc/58/07/18/1072580718.db2.gz FAYWWATVQLWQAN-JQHSSLGASA-N 1 3 395.548 -0.551 20 0 GBADHO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CN(C)CCO1 ZINC000685338716 1072581063 /nfs/dbraw/zinc/58/10/63/1072581063.db2.gz FAYWWATVQLWQAN-RYQLBKOJSA-N 1 3 395.548 -0.551 20 0 GBADHO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CN(C)CCO1 ZINC000685338716 1072581054 /nfs/dbraw/zinc/58/10/54/1072581054.db2.gz FAYWWATVQLWQAN-RYQLBKOJSA-N 1 3 395.548 -0.551 20 0 GBADHO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CN(C)CCO1 ZINC000685338718 1072581196 /nfs/dbraw/zinc/58/11/96/1072581196.db2.gz FAYWWATVQLWQAN-SZMVWBNQSA-N 1 3 395.548 -0.551 20 0 GBADHO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CN(C)CCO1 ZINC000685338718 1072581186 /nfs/dbraw/zinc/58/11/86/1072581186.db2.gz FAYWWATVQLWQAN-SZMVWBNQSA-N 1 3 395.548 -0.551 20 0 GBADHO CCN(CC)CC(=O)N1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000728905751 1073666026 /nfs/dbraw/zinc/66/60/26/1073666026.db2.gz VOYBLALBINBKEV-UHFFFAOYSA-N 1 3 394.520 -0.554 20 0 GBADHO CCOC(=O)N1CCN(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000729267696 637420120 /nfs/dbraw/zinc/42/01/20/637420120.db2.gz AUCSVNOVLKMOOQ-UHFFFAOYSA-N 1 3 379.527 -0.570 20 0 GBADHO CCNS(=O)(=O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000731683464 637518854 /nfs/dbraw/zinc/51/88/54/637518854.db2.gz ABYZCLDEQPMQNE-UHFFFAOYSA-N 1 3 375.539 -0.217 20 0 GBADHO CN(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736768324 598531157 /nfs/dbraw/zinc/53/11/57/598531157.db2.gz DNLSUQMOGKZTBH-HNNXBMFYSA-N 1 3 388.524 -0.032 20 0 GBADHO CN(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736768325 598531087 /nfs/dbraw/zinc/53/10/87/598531087.db2.gz DNLSUQMOGKZTBH-OAHLLOKOSA-N 1 3 388.524 -0.032 20 0 GBADHO C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)CC1 ZINC000736851503 598777171 /nfs/dbraw/zinc/77/71/71/598777171.db2.gz JNCRPZPVKRRTEV-KBPBESRZSA-N 1 3 386.508 -0.137 20 0 GBADHO C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)CC1 ZINC000736851503 598777169 /nfs/dbraw/zinc/77/71/69/598777169.db2.gz JNCRPZPVKRRTEV-KBPBESRZSA-N 1 3 386.508 -0.137 20 0 GBADHO C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)CC1 ZINC000736851504 598777218 /nfs/dbraw/zinc/77/72/18/598777218.db2.gz JNCRPZPVKRRTEV-KGLIPLIRSA-N 1 3 386.508 -0.137 20 0 GBADHO C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)CC1 ZINC000736851504 598777217 /nfs/dbraw/zinc/77/72/17/598777217.db2.gz JNCRPZPVKRRTEV-KGLIPLIRSA-N 1 3 386.508 -0.137 20 0 GBADHO C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)CC1 ZINC000736851505 598777071 /nfs/dbraw/zinc/77/70/71/598777071.db2.gz JNCRPZPVKRRTEV-UONOGXRCSA-N 1 3 386.508 -0.137 20 0 GBADHO C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)CC1 ZINC000736851505 598777069 /nfs/dbraw/zinc/77/70/69/598777069.db2.gz JNCRPZPVKRRTEV-UONOGXRCSA-N 1 3 386.508 -0.137 20 0 GBADHO C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)CC1 ZINC000736851506 598776754 /nfs/dbraw/zinc/77/67/54/598776754.db2.gz JNCRPZPVKRRTEV-ZIAGYGMSSA-N 1 3 386.508 -0.137 20 0 GBADHO C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)CC1 ZINC000736851506 598776753 /nfs/dbraw/zinc/77/67/53/598776753.db2.gz JNCRPZPVKRRTEV-ZIAGYGMSSA-N 1 3 386.508 -0.137 20 0 GBADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738394090 598713429 /nfs/dbraw/zinc/71/34/29/598713429.db2.gz PXGCGQGEBCAHRD-KBPBESRZSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738394090 598713427 /nfs/dbraw/zinc/71/34/27/598713427.db2.gz PXGCGQGEBCAHRD-KBPBESRZSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738394090 598713425 /nfs/dbraw/zinc/71/34/25/598713425.db2.gz PXGCGQGEBCAHRD-KBPBESRZSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738394090 598713423 /nfs/dbraw/zinc/71/34/23/598713423.db2.gz PXGCGQGEBCAHRD-KBPBESRZSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738394093 598713278 /nfs/dbraw/zinc/71/32/78/598713278.db2.gz PXGCGQGEBCAHRD-KGLIPLIRSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738394093 598713276 /nfs/dbraw/zinc/71/32/76/598713276.db2.gz PXGCGQGEBCAHRD-KGLIPLIRSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738394093 598713275 /nfs/dbraw/zinc/71/32/75/598713275.db2.gz PXGCGQGEBCAHRD-KGLIPLIRSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738394093 598713273 /nfs/dbraw/zinc/71/32/73/598713273.db2.gz PXGCGQGEBCAHRD-KGLIPLIRSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738394095 598713200 /nfs/dbraw/zinc/71/32/00/598713200.db2.gz PXGCGQGEBCAHRD-UONOGXRCSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738394095 598713198 /nfs/dbraw/zinc/71/31/98/598713198.db2.gz PXGCGQGEBCAHRD-UONOGXRCSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738394095 598713196 /nfs/dbraw/zinc/71/31/96/598713196.db2.gz PXGCGQGEBCAHRD-UONOGXRCSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738394095 598713194 /nfs/dbraw/zinc/71/31/94/598713194.db2.gz PXGCGQGEBCAHRD-UONOGXRCSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738394097 598713683 /nfs/dbraw/zinc/71/36/83/598713683.db2.gz PXGCGQGEBCAHRD-ZIAGYGMSSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738394097 598713682 /nfs/dbraw/zinc/71/36/82/598713682.db2.gz PXGCGQGEBCAHRD-ZIAGYGMSSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738394097 598713681 /nfs/dbraw/zinc/71/36/81/598713681.db2.gz PXGCGQGEBCAHRD-ZIAGYGMSSA-N 1 3 375.481 -0.069 20 0 GBADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738394097 598713680 /nfs/dbraw/zinc/71/36/80/598713680.db2.gz PXGCGQGEBCAHRD-ZIAGYGMSSA-N 1 3 375.481 -0.069 20 0 GBADHO NS(=O)(=O)[C@H]1CCN(CCCCCC[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224928 637782496 /nfs/dbraw/zinc/78/24/96/637782496.db2.gz DILPEULZTLFKSI-KBPBESRZSA-N 1 3 382.552 -0.728 20 0 GBADHO NS(=O)(=O)[C@H]1CCN(CCCCCC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224928 637782489 /nfs/dbraw/zinc/78/24/89/637782489.db2.gz DILPEULZTLFKSI-KBPBESRZSA-N 1 3 382.552 -0.728 20 0 GBADHO NS(=O)(=O)[C@@H]1CC[N@H+](CCCCCCN2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224929 637782207 /nfs/dbraw/zinc/78/22/07/637782207.db2.gz DILPEULZTLFKSI-OKILXGFUSA-N 1 3 382.552 -0.728 20 0 GBADHO NS(=O)(=O)[C@@H]1CC[N@@H+](CCCCCCN2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224929 637782200 /nfs/dbraw/zinc/78/22/00/637782200.db2.gz DILPEULZTLFKSI-OKILXGFUSA-N 1 3 382.552 -0.728 20 0 GBADHO NS(=O)(=O)[C@@H]1CCN(CCCCCC[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224929 637782192 /nfs/dbraw/zinc/78/21/92/637782192.db2.gz DILPEULZTLFKSI-OKILXGFUSA-N 1 3 382.552 -0.728 20 0 GBADHO NS(=O)(=O)[C@@H]1CCN(CCCCCC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224929 637782183 /nfs/dbraw/zinc/78/21/83/637782183.db2.gz DILPEULZTLFKSI-OKILXGFUSA-N 1 3 382.552 -0.728 20 0 GBADHO NS(=O)(=O)[C@@H]1CCN(CCCCCC[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000772224930 637782285 /nfs/dbraw/zinc/78/22/85/637782285.db2.gz DILPEULZTLFKSI-ZIAGYGMSSA-N 1 3 382.552 -0.728 20 0 GBADHO NS(=O)(=O)[C@@H]1CCN(CCCCCC[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000772224930 637782278 /nfs/dbraw/zinc/78/22/78/637782278.db2.gz DILPEULZTLFKSI-ZIAGYGMSSA-N 1 3 382.552 -0.728 20 0 GBADHO CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000820067659 637991241 /nfs/dbraw/zinc/99/12/41/637991241.db2.gz BPPOZUPXVQKWHE-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000820067659 637991236 /nfs/dbraw/zinc/99/12/36/637991236.db2.gz BPPOZUPXVQKWHE-HNNXBMFYSA-N 1 3 377.555 -0.065 20 0 GBADHO CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000820133485 606741810 /nfs/dbraw/zinc/74/18/10/606741810.db2.gz SRPWQISRAVBSJY-CYBMUJFWSA-N 1 3 375.481 -0.070 20 0 GBADHO CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000820133485 606741809 /nfs/dbraw/zinc/74/18/09/606741809.db2.gz SRPWQISRAVBSJY-CYBMUJFWSA-N 1 3 375.481 -0.070 20 0 GBADHO CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000820133487 606741813 /nfs/dbraw/zinc/74/18/13/606741813.db2.gz SRPWQISRAVBSJY-ZDUSSCGKSA-N 1 3 375.481 -0.070 20 0 GBADHO CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000820133487 606741812 /nfs/dbraw/zinc/74/18/12/606741812.db2.gz SRPWQISRAVBSJY-ZDUSSCGKSA-N 1 3 375.481 -0.070 20 0 GBADHO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875731562 638289267 /nfs/dbraw/zinc/28/92/67/638289267.db2.gz QLIYXSNBXOTHBX-APIJFGDWSA-N 1 3 376.523 -0.821 20 0 GBADHO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875731563 638290008 /nfs/dbraw/zinc/29/00/08/638290008.db2.gz QLIYXSNBXOTHBX-KBUPBQIOSA-N 1 3 376.523 -0.821 20 0 GBADHO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875731564 638290031 /nfs/dbraw/zinc/29/00/31/638290031.db2.gz QLIYXSNBXOTHBX-KBXIAJHMSA-N 1 3 376.523 -0.821 20 0 GBADHO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000875731565 638289816 /nfs/dbraw/zinc/28/98/16/638289816.db2.gz QLIYXSNBXOTHBX-TUVASFSCSA-N 1 3 376.523 -0.821 20 0 GBADHO CNS(=O)(=O)CCN(C)[C@H]1CC[C@H]([N@@H+](C)CCS(=O)(=O)NC)CC1 ZINC000886386725 638322627 /nfs/dbraw/zinc/32/26/27/638322627.db2.gz DTQSJUWYMDBBLM-HDJSIYSDSA-N 1 3 384.568 -0.740 20 0 GBADHO CNS(=O)(=O)CCN(C)[C@H]1CC[C@H]([N@H+](C)CCS(=O)(=O)NC)CC1 ZINC000886386725 638322621 /nfs/dbraw/zinc/32/26/21/638322621.db2.gz DTQSJUWYMDBBLM-HDJSIYSDSA-N 1 3 384.568 -0.740 20 0 GBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000889332938 638314520 /nfs/dbraw/zinc/31/45/20/638314520.db2.gz OUGFWETYVUMWCU-AWEZNQCLSA-N 1 3 377.555 -0.018 20 0 GBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000889332938 638314514 /nfs/dbraw/zinc/31/45/14/638314514.db2.gz OUGFWETYVUMWCU-AWEZNQCLSA-N 1 3 377.555 -0.018 20 0 GBADHO COCCN1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891439265 1072614302 /nfs/dbraw/zinc/61/43/02/1072614302.db2.gz HCIMPYWVLHHXBY-OAGGEKHMSA-N 1 3 381.477 -0.326 20 0 GBADHO COCCN1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891439266 1072614454 /nfs/dbraw/zinc/61/44/54/1072614454.db2.gz HCIMPYWVLHHXBY-XHSDSOJGSA-N 1 3 381.477 -0.326 20 0 GBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513424 1072173716 /nfs/dbraw/zinc/17/37/16/1072173716.db2.gz CCHNLMMECOKZDC-GCSSGZNBSA-N 1 3 379.461 -0.574 20 0 GBADHO 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