smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042920438 1073325732 /nfs/dbraw/zinc/32/57/32/1073325732.db2.gz MKMVXVWBADJXAL-UHFFFAOYSA-N 2 2 398.533 -0.216 20 0 GBADLP COCC[NH+]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000045572530 1072420838 /nfs/dbraw/zinc/42/08/38/1072420838.db2.gz IITSMRPJQTVWOQ-UHFFFAOYSA-N 2 2 391.520 -0.038 20 0 GBADLP CN(C)C(=O)Cn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000050796834 1073950435 /nfs/dbraw/zinc/95/04/35/1073950435.db2.gz WUVFLPKNDJFVPS-UHFFFAOYSA-N 2 2 377.493 -0.345 20 0 GBADLP Cn1cc(S(=O)(=O)NCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000050798550 1071085759 /nfs/dbraw/zinc/08/57/59/1071085759.db2.gz HTUDAJLJGOFCRY-UHFFFAOYSA-N 2 2 398.533 -0.627 20 0 GBADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050799719 1071085319 /nfs/dbraw/zinc/08/53/19/1071085319.db2.gz JJRHXNBWWBZHGH-UHFFFAOYSA-N 2 2 377.489 -0.021 20 0 GBADLP Cn1cc(/C=C/C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)n(C)c1=O ZINC000050800035 1072543271 /nfs/dbraw/zinc/54/32/71/1072543271.db2.gz YLGWZRRJEHLCMK-SNAWJCMRSA-N 2 2 389.500 -0.228 20 0 GBADLP CN(CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051463939 1071112755 /nfs/dbraw/zinc/11/27/55/1071112755.db2.gz CFOCXDKGJYWWNR-QGZVFWFLSA-N 2 2 386.562 -0.220 20 0 GBADLP CN(CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051463941 1071112573 /nfs/dbraw/zinc/11/25/73/1071112573.db2.gz CFOCXDKGJYWWNR-KRWDZBQOSA-N 2 2 386.562 -0.220 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000051759174 1073593441 /nfs/dbraw/zinc/59/34/41/1073593441.db2.gz JAKTVOQKOQWRDY-UHFFFAOYSA-N 2 2 387.550 -0.168 20 0 GBADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000051763380 1073843607 /nfs/dbraw/zinc/84/36/07/1073843607.db2.gz JJXCERHHXCZTCP-UHFFFAOYSA-N 2 2 389.504 -0.779 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)C1 ZINC000052215645 1073919917 /nfs/dbraw/zinc/91/99/17/1073919917.db2.gz GTBGPOWXVKUVTR-QGZVFWFLSA-N 2 2 381.521 -0.051 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)C1 ZINC000052215645 1073919912 /nfs/dbraw/zinc/91/99/12/1073919912.db2.gz GTBGPOWXVKUVTR-QGZVFWFLSA-N 2 2 381.521 -0.051 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)C1 ZINC000052215648 1073920330 /nfs/dbraw/zinc/92/03/30/1073920330.db2.gz GTBGPOWXVKUVTR-KRWDZBQOSA-N 2 2 381.521 -0.051 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)C1 ZINC000052215648 1073920318 /nfs/dbraw/zinc/92/03/18/1073920318.db2.gz GTBGPOWXVKUVTR-KRWDZBQOSA-N 2 2 381.521 -0.051 20 0 GBADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000061634918 1072576887 /nfs/dbraw/zinc/57/68/87/1072576887.db2.gz ITTMMCJYLBXGIA-OAHLLOKOSA-N 2 2 378.477 -0.436 20 0 GBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000064023075 1073832690 /nfs/dbraw/zinc/83/26/90/1073832690.db2.gz BMJXVNMYNMCOSV-QGZVFWFLSA-N 2 2 387.484 -0.089 20 0 GBADLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCO1 ZINC000066243084 1072891117 /nfs/dbraw/zinc/89/11/17/1072891117.db2.gz PTNJLEOONJDEJT-HNNXBMFYSA-N 2 2 396.517 -0.383 20 0 GBADLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCO1 ZINC000066243085 1072891284 /nfs/dbraw/zinc/89/12/84/1072891284.db2.gz PTNJLEOONJDEJT-OAHLLOKOSA-N 2 2 396.517 -0.383 20 0 GBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C(=O)C(=O)N(C)C3=O)CC2)CC1 ZINC000066450405 1072926699 /nfs/dbraw/zinc/92/66/99/1072926699.db2.gz CFYDYWMROYTVNB-UHFFFAOYSA-N 2 2 379.461 -0.369 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000069471744 530075276 /nfs/dbraw/zinc/07/52/76/530075276.db2.gz PFCQDPUAOXCQTE-UHFFFAOYSA-N 2 2 377.555 -0.018 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000069471744 530075272 /nfs/dbraw/zinc/07/52/72/530075272.db2.gz PFCQDPUAOXCQTE-UHFFFAOYSA-N 2 2 377.555 -0.018 20 0 GBADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000079125647 1072422714 /nfs/dbraw/zinc/42/27/14/1072422714.db2.gz JCGUBPBPXJSTJA-QGZVFWFLSA-N 2 2 382.553 -0.232 20 0 GBADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000079125649 1072423109 /nfs/dbraw/zinc/42/31/09/1072423109.db2.gz JCGUBPBPXJSTJA-KRWDZBQOSA-N 2 2 382.553 -0.232 20 0 GBADLP CN(C)c1[nH+]cc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C ZINC000083738870 1072553033 /nfs/dbraw/zinc/55/30/33/1072553033.db2.gz MUGPEJGHBYPDOS-UHFFFAOYSA-N 2 2 377.493 -0.064 20 0 GBADLP CN(C(=O)c1ccn(C)c(=O)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041321 1073355113 /nfs/dbraw/zinc/35/51/13/1073355113.db2.gz BQROPROTQUGKTJ-UHFFFAOYSA-N 2 2 389.500 -0.304 20 0 GBADLP CN(C(=O)Cn1ccccc1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041585 1073354513 /nfs/dbraw/zinc/35/45/13/1073354513.db2.gz XDOLJVRJQZFZJL-UHFFFAOYSA-N 2 2 389.500 -0.455 20 0 GBADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000107372078 1073521864 /nfs/dbraw/zinc/52/18/64/1073521864.db2.gz SBGNCMDSZQGMGC-GOSISDBHSA-N 2 2 377.533 -0.221 20 0 GBADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000107372078 1073521853 /nfs/dbraw/zinc/52/18/53/1073521853.db2.gz SBGNCMDSZQGMGC-GOSISDBHSA-N 2 2 377.533 -0.221 20 0 GBADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000107372080 1073521944 /nfs/dbraw/zinc/52/19/44/1073521944.db2.gz SBGNCMDSZQGMGC-SFHVURJKSA-N 2 2 377.533 -0.221 20 0 GBADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000107372080 1073521935 /nfs/dbraw/zinc/52/19/35/1073521935.db2.gz SBGNCMDSZQGMGC-SFHVURJKSA-N 2 2 377.533 -0.221 20 0 GBADLP CC(C)[N@@H+](C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000109310323 1073446505 /nfs/dbraw/zinc/44/65/05/1073446505.db2.gz DUDLOAOBIFRJBN-UHFFFAOYSA-N 2 2 383.518 -0.010 20 0 GBADLP CC(C)[N@H+](C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000109310323 1073446495 /nfs/dbraw/zinc/44/64/95/1073446495.db2.gz DUDLOAOBIFRJBN-UHFFFAOYSA-N 2 2 383.518 -0.010 20 0 GBADLP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000109393391 1072233726 /nfs/dbraw/zinc/23/37/26/1072233726.db2.gz CYBGWSMUSXZSRA-UHFFFAOYSA-N 2 2 382.553 -0.136 20 0 GBADLP CN(C(=O)c1cccc(=O)n1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119097369 1073447984 /nfs/dbraw/zinc/44/79/84/1073447984.db2.gz WXRRRAMQCZDMOV-UHFFFAOYSA-N 2 2 389.500 -0.304 20 0 GBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000139177153 1072302707 /nfs/dbraw/zinc/30/27/07/1072302707.db2.gz SZOVPWDDEBIHTH-IRXDYDNUSA-N 2 2 380.537 -0.430 20 0 GBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139177153 1072302702 /nfs/dbraw/zinc/30/27/02/1072302702.db2.gz SZOVPWDDEBIHTH-IRXDYDNUSA-N 2 2 380.537 -0.430 20 0 GBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000139177267 1072302874 /nfs/dbraw/zinc/30/28/74/1072302874.db2.gz SZOVPWDDEBIHTH-SJORKVTESA-N 2 2 380.537 -0.430 20 0 GBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139177267 1072302863 /nfs/dbraw/zinc/30/28/63/1072302863.db2.gz SZOVPWDDEBIHTH-SJORKVTESA-N 2 2 380.537 -0.430 20 0 GBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000139177371 1072302471 /nfs/dbraw/zinc/30/24/71/1072302471.db2.gz SZOVPWDDEBIHTH-DLBZAZTESA-N 2 2 380.537 -0.430 20 0 GBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000139177371 1072302461 /nfs/dbraw/zinc/30/24/61/1072302461.db2.gz SZOVPWDDEBIHTH-DLBZAZTESA-N 2 2 380.537 -0.430 20 0 GBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000139177475 1072302644 /nfs/dbraw/zinc/30/26/44/1072302644.db2.gz SZOVPWDDEBIHTH-IAGOWNOFSA-N 2 2 380.537 -0.430 20 0 GBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000139177475 1072302641 /nfs/dbraw/zinc/30/26/41/1072302641.db2.gz SZOVPWDDEBIHTH-IAGOWNOFSA-N 2 2 380.537 -0.430 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000162191828 1072422526 /nfs/dbraw/zinc/42/25/26/1072422526.db2.gz LWZBBSAOMJDLII-UHFFFAOYSA-N 2 2 377.493 -0.582 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000162191828 1072422521 /nfs/dbraw/zinc/42/25/21/1072422521.db2.gz LWZBBSAOMJDLII-UHFFFAOYSA-N 2 2 377.493 -0.582 20 0 GBADLP Cn1c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc(=O)n(C)c1=O ZINC000171931753 1073845047 /nfs/dbraw/zinc/84/50/47/1073845047.db2.gz DFQOKPOMCSKDKQ-UHFFFAOYSA-N 2 2 377.489 -0.540 20 0 GBADLP O=C(CCNC(=O)c1[nH]nc2c1C[NH2+]CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000188750549 1073887570 /nfs/dbraw/zinc/88/75/70/1073887570.db2.gz LETXOQLACZKZGS-UHFFFAOYSA-N 2 2 383.456 -0.081 20 0 GBADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000237960309 1072306913 /nfs/dbraw/zinc/30/69/13/1072306913.db2.gz WYNBTPDIHRZFDZ-UHFFFAOYSA-N 2 2 392.485 -0.050 20 0 GBADLP CCC(CC)(C[NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000261857461 530352682 /nfs/dbraw/zinc/35/26/82/530352682.db2.gz QWWPZDXYGWQLOO-UHFFFAOYSA-N 2 2 375.539 -0.612 20 0 GBADLP C[NH2+]CCC1CC[NH+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000262002714 530353426 /nfs/dbraw/zinc/35/34/26/530353426.db2.gz QHVKUJQHUPOUJX-INIZCTEOSA-N 2 2 375.535 -0.030 20 0 GBADLP C[NH2+]CCC1CC[NH+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000262002718 530353323 /nfs/dbraw/zinc/35/33/23/530353323.db2.gz QHVKUJQHUPOUJX-MRXNPFEDSA-N 2 2 375.535 -0.030 20 0 GBADLP CC(C)OCCS(=O)(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262264609 530353162 /nfs/dbraw/zinc/35/31/62/530353162.db2.gz XYVRUELVWYHOCK-UHFFFAOYSA-N 2 2 376.523 -0.819 20 0 GBADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000262285543 530353288 /nfs/dbraw/zinc/35/32/88/530353288.db2.gz ZQGOOHKKVFMANJ-UHFFFAOYSA-N 2 2 387.531 -0.420 20 0 GBADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000262679105 530475282 /nfs/dbraw/zinc/47/52/82/530475282.db2.gz SBVSGNPDGLVEJM-AWEZNQCLSA-N 2 2 384.527 -0.099 20 0 GBADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000262679106 530475208 /nfs/dbraw/zinc/47/52/08/530475208.db2.gz SBVSGNPDGLVEJM-CQSZACIVSA-N 2 2 384.527 -0.099 20 0 GBADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000262756884 1073842376 /nfs/dbraw/zinc/84/23/76/1073842376.db2.gz BWZGYZYBAZRERM-SPYBWZPUSA-N 2 2 382.505 -0.432 20 0 GBADLP CNC(=O)[C@H]1C[NH+](Cc2ccc(C[N@H+]3CCO[C@@H](C(=O)NC)C3)cc2)CCO1 ZINC000272817645 1072396988 /nfs/dbraw/zinc/39/69/88/1072396988.db2.gz DQNRRHNMAFPOKM-QZTJIDSGSA-N 2 2 390.484 -0.420 20 0 GBADLP CNC(=O)[C@H]1C[NH+](Cc2ccc(C[N@@H+]3CCO[C@@H](C(=O)NC)C3)cc2)CCO1 ZINC000272817645 1072396978 /nfs/dbraw/zinc/39/69/78/1072396978.db2.gz DQNRRHNMAFPOKM-QZTJIDSGSA-N 2 2 390.484 -0.420 20 0 GBADLP CNC(=O)[C@@H]1C[NH+](Cc2ccc(C[N@H+]3CCO[C@H](C(=O)NC)C3)cc2)CCO1 ZINC000272817647 1072397500 /nfs/dbraw/zinc/39/75/00/1072397500.db2.gz DQNRRHNMAFPOKM-ROUUACIJSA-N 2 2 390.484 -0.420 20 0 GBADLP CNC(=O)[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3CCO[C@H](C(=O)NC)C3)cc2)CCO1 ZINC000272817647 1072397494 /nfs/dbraw/zinc/39/74/94/1072397494.db2.gz DQNRRHNMAFPOKM-ROUUACIJSA-N 2 2 390.484 -0.420 20 0 GBADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000273428214 1072422957 /nfs/dbraw/zinc/42/29/57/1072422957.db2.gz KYWDTIDMXHSBDS-UHFFFAOYSA-N 2 2 378.477 -0.385 20 0 GBADLP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc2)CC1 ZINC000273578758 1072426925 /nfs/dbraw/zinc/42/69/25/1072426925.db2.gz ZGHFJDJBEGOZNW-UHFFFAOYSA-N 2 2 389.500 -0.097 20 0 GBADLP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc2)CC1 ZINC000273578758 1072426919 /nfs/dbraw/zinc/42/69/19/1072426919.db2.gz ZGHFJDJBEGOZNW-UHFFFAOYSA-N 2 2 389.500 -0.097 20 0 GBADLP CC[N@@H+](CCO)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000274549418 1072126543 /nfs/dbraw/zinc/12/65/43/1072126543.db2.gz MKCCYAKRLANIIT-UHFFFAOYSA-N 2 2 377.489 -0.059 20 0 GBADLP CC[N@H+](CCO)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000274549418 1072126538 /nfs/dbraw/zinc/12/65/38/1072126538.db2.gz MKCCYAKRLANIIT-UHFFFAOYSA-N 2 2 377.489 -0.059 20 0 GBADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000274668693 1072144272 /nfs/dbraw/zinc/14/42/72/1072144272.db2.gz RXDKEYMNTIDQEU-DOTOQJQBSA-N 2 2 397.545 -0.089 20 0 GBADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000274668693 1072144266 /nfs/dbraw/zinc/14/42/66/1072144266.db2.gz RXDKEYMNTIDQEU-DOTOQJQBSA-N 2 2 397.545 -0.089 20 0 GBADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000274668694 1072144181 /nfs/dbraw/zinc/14/41/81/1072144181.db2.gz RXDKEYMNTIDQEU-NVXWUHKLSA-N 2 2 397.545 -0.089 20 0 GBADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000274668694 1072144175 /nfs/dbraw/zinc/14/41/75/1072144175.db2.gz RXDKEYMNTIDQEU-NVXWUHKLSA-N 2 2 397.545 -0.089 20 0 GBADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000274668695 1072144045 /nfs/dbraw/zinc/14/40/45/1072144045.db2.gz RXDKEYMNTIDQEU-RDJZCZTQSA-N 2 2 397.545 -0.089 20 0 GBADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000274668695 1072144042 /nfs/dbraw/zinc/14/40/42/1072144042.db2.gz RXDKEYMNTIDQEU-RDJZCZTQSA-N 2 2 397.545 -0.089 20 0 GBADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000274668696 1072144166 /nfs/dbraw/zinc/14/41/66/1072144166.db2.gz RXDKEYMNTIDQEU-WBVHZDCISA-N 2 2 397.545 -0.089 20 0 GBADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 ZINC000274668696 1072144161 /nfs/dbraw/zinc/14/41/61/1072144161.db2.gz RXDKEYMNTIDQEU-WBVHZDCISA-N 2 2 397.545 -0.089 20 0 GBADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274829081 1072219917 /nfs/dbraw/zinc/21/99/17/1072219917.db2.gz RRUQTGWAPAWNKB-UHFFFAOYSA-N 2 2 389.504 -0.255 20 0 GBADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000274829081 1072219912 /nfs/dbraw/zinc/21/99/12/1072219912.db2.gz RRUQTGWAPAWNKB-UHFFFAOYSA-N 2 2 389.504 -0.255 20 0 GBADLP CN1CCN(c2cc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)nc[nH+]2)CC1=O ZINC000274934554 1072226702 /nfs/dbraw/zinc/22/67/02/1072226702.db2.gz RRFFNCXOOHMAPH-HNNXBMFYSA-N 2 2 387.488 -0.502 20 0 GBADLP CN1CCN(c2cc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)nc[nH+]2)CC1=O ZINC000274934554 1072226698 /nfs/dbraw/zinc/22/66/98/1072226698.db2.gz RRFFNCXOOHMAPH-HNNXBMFYSA-N 2 2 387.488 -0.502 20 0 GBADLP CN1CCN(c2cc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)[nH+]cn2)CC1=O ZINC000274934554 1072226692 /nfs/dbraw/zinc/22/66/92/1072226692.db2.gz RRFFNCXOOHMAPH-HNNXBMFYSA-N 2 2 387.488 -0.502 20 0 GBADLP CN1CCN(c2cc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)[nH+]cn2)CC1=O ZINC000274934554 1072226688 /nfs/dbraw/zinc/22/66/88/1072226688.db2.gz RRFFNCXOOHMAPH-HNNXBMFYSA-N 2 2 387.488 -0.502 20 0 GBADLP CN1CCN(c2cc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)nc[nH+]2)CC1=O ZINC000274934556 1072227160 /nfs/dbraw/zinc/22/71/60/1072227160.db2.gz RRFFNCXOOHMAPH-OAHLLOKOSA-N 2 2 387.488 -0.502 20 0 GBADLP CN1CCN(c2cc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)nc[nH+]2)CC1=O ZINC000274934556 1072227156 /nfs/dbraw/zinc/22/71/56/1072227156.db2.gz RRFFNCXOOHMAPH-OAHLLOKOSA-N 2 2 387.488 -0.502 20 0 GBADLP CN1CCN(c2cc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)[nH+]cn2)CC1=O ZINC000274934556 1072227153 /nfs/dbraw/zinc/22/71/53/1072227153.db2.gz RRFFNCXOOHMAPH-OAHLLOKOSA-N 2 2 387.488 -0.502 20 0 GBADLP CN1CCN(c2cc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)[nH+]cn2)CC1=O ZINC000274934556 1072227149 /nfs/dbraw/zinc/22/71/49/1072227149.db2.gz RRFFNCXOOHMAPH-OAHLLOKOSA-N 2 2 387.488 -0.502 20 0 GBADLP Cc1cc(NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000275218669 1072256850 /nfs/dbraw/zinc/25/68/50/1072256850.db2.gz JGBSLZJBCPSEGN-UHFFFAOYSA-N 2 2 378.477 -0.297 20 0 GBADLP CC[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000275224594 1072257802 /nfs/dbraw/zinc/25/78/02/1072257802.db2.gz IHMSPWOLRDZLLU-UHFFFAOYSA-N 2 2 378.477 -0.292 20 0 GBADLP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000275224594 1072257796 /nfs/dbraw/zinc/25/77/96/1072257796.db2.gz IHMSPWOLRDZLLU-UHFFFAOYSA-N 2 2 378.477 -0.292 20 0 GBADLP COCCC[N@@H+](CCO)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000275531942 1072290006 /nfs/dbraw/zinc/29/00/06/1072290006.db2.gz XJAKNUNCOBCNRX-UHFFFAOYSA-N 2 2 391.476 -0.657 20 0 GBADLP COCCC[N@H+](CCO)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000275531942 1072289997 /nfs/dbraw/zinc/28/99/97/1072289997.db2.gz XJAKNUNCOBCNRX-UHFFFAOYSA-N 2 2 391.476 -0.657 20 0 GBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)CC1 ZINC000275568017 1072296433 /nfs/dbraw/zinc/29/64/33/1072296433.db2.gz DOAAQQALJCQJDP-UHFFFAOYSA-N 2 2 375.473 -0.033 20 0 GBADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275643558 1072332991 /nfs/dbraw/zinc/33/29/91/1072332991.db2.gz FHNWJUDGCYZCJJ-INIZCTEOSA-N 2 2 392.504 -0.046 20 0 GBADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275643558 1072332988 /nfs/dbraw/zinc/33/29/88/1072332988.db2.gz FHNWJUDGCYZCJJ-INIZCTEOSA-N 2 2 392.504 -0.046 20 0 GBADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275643562 1072332835 /nfs/dbraw/zinc/33/28/35/1072332835.db2.gz FHNWJUDGCYZCJJ-MRXNPFEDSA-N 2 2 392.504 -0.046 20 0 GBADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275643562 1072332827 /nfs/dbraw/zinc/33/28/27/1072332827.db2.gz FHNWJUDGCYZCJJ-MRXNPFEDSA-N 2 2 392.504 -0.046 20 0 GBADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000275771259 1072417342 /nfs/dbraw/zinc/41/73/42/1072417342.db2.gz RDVSZQBIAZKOLI-UHFFFAOYSA-N 2 2 391.472 -0.036 20 0 GBADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000275771259 1072417337 /nfs/dbraw/zinc/41/73/37/1072417337.db2.gz RDVSZQBIAZKOLI-UHFFFAOYSA-N 2 2 391.472 -0.036 20 0 GBADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1 ZINC000275839216 1072446823 /nfs/dbraw/zinc/44/68/23/1072446823.db2.gz MGGBUWOQQWYARF-UHFFFAOYSA-N 2 2 378.477 -0.246 20 0 GBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275840187 1072446615 /nfs/dbraw/zinc/44/66/15/1072446615.db2.gz ADMHSFHGLRTAHH-UHFFFAOYSA-N 2 2 378.477 -0.294 20 0 GBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275840187 1072446612 /nfs/dbraw/zinc/44/66/12/1072446612.db2.gz ADMHSFHGLRTAHH-UHFFFAOYSA-N 2 2 378.477 -0.294 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275907727 1072470561 /nfs/dbraw/zinc/47/05/61/1072470561.db2.gz BHFXJLXLEAWNED-KRWDZBQOSA-N 2 2 392.500 -0.119 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275907730 1072470240 /nfs/dbraw/zinc/47/02/40/1072470240.db2.gz BHFXJLXLEAWNED-QGZVFWFLSA-N 2 2 392.500 -0.119 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000276025961 1072536612 /nfs/dbraw/zinc/53/66/12/1072536612.db2.gz LAPNEXWATVSFPX-KRWDZBQOSA-N 2 2 378.473 -0.162 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000276025963 1072536807 /nfs/dbraw/zinc/53/68/07/1072536807.db2.gz LAPNEXWATVSFPX-QGZVFWFLSA-N 2 2 378.473 -0.162 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000276098560 1072559444 /nfs/dbraw/zinc/55/94/44/1072559444.db2.gz QKYUJRMQPODHJK-GOSISDBHSA-N 2 2 392.500 -0.119 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000276098563 1072559626 /nfs/dbraw/zinc/55/96/26/1072559626.db2.gz QKYUJRMQPODHJK-SFHVURJKSA-N 2 2 392.500 -0.119 20 0 GBADLP C[C@H](O)C[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H](C)CO ZINC000276234812 1072591136 /nfs/dbraw/zinc/59/11/36/1072591136.db2.gz TUVXYDLODYATTD-KBPBESRZSA-N 2 2 391.476 -0.925 20 0 GBADLP C[C@H](O)C[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H](C)CO ZINC000276234812 1072591128 /nfs/dbraw/zinc/59/11/28/1072591128.db2.gz TUVXYDLODYATTD-KBPBESRZSA-N 2 2 391.476 -0.925 20 0 GBADLP C[C@H](CO)[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C[C@H](C)O ZINC000276234818 1072591238 /nfs/dbraw/zinc/59/12/38/1072591238.db2.gz TUVXYDLODYATTD-KGLIPLIRSA-N 2 2 391.476 -0.925 20 0 GBADLP C[C@H](CO)[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C[C@H](C)O ZINC000276234818 1072591234 /nfs/dbraw/zinc/59/12/34/1072591234.db2.gz TUVXYDLODYATTD-KGLIPLIRSA-N 2 2 391.476 -0.925 20 0 GBADLP C[C@@H](O)C[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H](C)CO ZINC000276234824 1072590700 /nfs/dbraw/zinc/59/07/00/1072590700.db2.gz TUVXYDLODYATTD-UONOGXRCSA-N 2 2 391.476 -0.925 20 0 GBADLP C[C@@H](O)C[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H](C)CO ZINC000276234824 1072590689 /nfs/dbraw/zinc/59/06/89/1072590689.db2.gz TUVXYDLODYATTD-UONOGXRCSA-N 2 2 391.476 -0.925 20 0 GBADLP C[C@@H](O)C[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H](C)CO ZINC000276234828 1072591260 /nfs/dbraw/zinc/59/12/60/1072591260.db2.gz TUVXYDLODYATTD-ZIAGYGMSSA-N 2 2 391.476 -0.925 20 0 GBADLP C[C@@H](O)C[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H](C)CO ZINC000276234828 1072591256 /nfs/dbraw/zinc/59/12/56/1072591256.db2.gz TUVXYDLODYATTD-ZIAGYGMSSA-N 2 2 391.476 -0.925 20 0 GBADLP C[NH+](C)CCOc1cc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)ccn1 ZINC000276385848 1072612071 /nfs/dbraw/zinc/61/20/71/1072612071.db2.gz JNGRTAKCKNJJDR-HNNXBMFYSA-N 2 2 379.461 -0.720 20 0 GBADLP C[NH+](C)CCOc1cc(C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)ccn1 ZINC000276385848 1072612064 /nfs/dbraw/zinc/61/20/64/1072612064.db2.gz JNGRTAKCKNJJDR-HNNXBMFYSA-N 2 2 379.461 -0.720 20 0 GBADLP C[NH+](C)CCOc1cc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)ccn1 ZINC000276385849 1072611712 /nfs/dbraw/zinc/61/17/12/1072611712.db2.gz JNGRTAKCKNJJDR-OAHLLOKOSA-N 2 2 379.461 -0.720 20 0 GBADLP C[NH+](C)CCOc1cc(C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)ccn1 ZINC000276385849 1072611709 /nfs/dbraw/zinc/61/17/09/1072611709.db2.gz JNGRTAKCKNJJDR-OAHLLOKOSA-N 2 2 379.461 -0.720 20 0 GBADLP O[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278543587 530243323 /nfs/dbraw/zinc/24/33/23/530243323.db2.gz AKVPKEQOEGITGR-FPCVCCKLSA-N 2 2 387.274 -0.476 20 0 GBADLP O[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278543587 530243322 /nfs/dbraw/zinc/24/33/22/530243322.db2.gz AKVPKEQOEGITGR-FPCVCCKLSA-N 2 2 387.274 -0.476 20 0 GBADLP O[C@@H]1C[N@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278543591 530243205 /nfs/dbraw/zinc/24/32/05/530243205.db2.gz AKVPKEQOEGITGR-FZKCQIBNSA-N 2 2 387.274 -0.476 20 0 GBADLP O[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278543591 530243203 /nfs/dbraw/zinc/24/32/03/530243203.db2.gz AKVPKEQOEGITGR-FZKCQIBNSA-N 2 2 387.274 -0.476 20 0 GBADLP O[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278543595 530243385 /nfs/dbraw/zinc/24/33/85/530243385.db2.gz AKVPKEQOEGITGR-GEEKYZPCSA-N 2 2 387.274 -0.476 20 0 GBADLP O[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278543595 530243384 /nfs/dbraw/zinc/24/33/84/530243384.db2.gz AKVPKEQOEGITGR-GEEKYZPCSA-N 2 2 387.274 -0.476 20 0 GBADLP O[C@@H]1C[NH+](Cc2cc(Br)ccc2C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278543595 530243383 /nfs/dbraw/zinc/24/33/83/530243383.db2.gz AKVPKEQOEGITGR-GEEKYZPCSA-N 2 2 387.274 -0.476 20 0 GBADLP O[C@@H]1C[NH+](Cc2cc(Br)ccc2C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278543595 530243382 /nfs/dbraw/zinc/24/33/82/530243382.db2.gz AKVPKEQOEGITGR-GEEKYZPCSA-N 2 2 387.274 -0.476 20 0 GBADLP O[C@@H]1C[NH+](Cc2ccc(Br)cc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278543599 530243247 /nfs/dbraw/zinc/24/32/47/530243247.db2.gz AKVPKEQOEGITGR-WCVJEAGWSA-N 2 2 387.274 -0.476 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278995077 1073630910 /nfs/dbraw/zinc/63/09/10/1073630910.db2.gz LLPXXFCCGGDCRS-KBPBESRZSA-N 2 2 376.461 -0.851 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278995079 1073630721 /nfs/dbraw/zinc/63/07/21/1073630721.db2.gz LLPXXFCCGGDCRS-KGLIPLIRSA-N 2 2 376.461 -0.851 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278995082 1073630694 /nfs/dbraw/zinc/63/06/94/1073630694.db2.gz LLPXXFCCGGDCRS-UONOGXRCSA-N 2 2 376.461 -0.851 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278995084 1073630610 /nfs/dbraw/zinc/63/06/10/1073630610.db2.gz LLPXXFCCGGDCRS-ZIAGYGMSSA-N 2 2 376.461 -0.851 20 0 GBADLP O=C(CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279122109 1073646134 /nfs/dbraw/zinc/64/61/34/1073646134.db2.gz UUPHLSXQMXVJKT-IBGZPJMESA-N 2 2 386.456 -0.206 20 0 GBADLP O=C(CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279122109 1073646127 /nfs/dbraw/zinc/64/61/27/1073646127.db2.gz UUPHLSXQMXVJKT-IBGZPJMESA-N 2 2 386.456 -0.206 20 0 GBADLP O=C(CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279122115 1073646293 /nfs/dbraw/zinc/64/62/93/1073646293.db2.gz UUPHLSXQMXVJKT-LJQANCHMSA-N 2 2 386.456 -0.206 20 0 GBADLP O=C(CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279122115 1073646289 /nfs/dbraw/zinc/64/62/89/1073646289.db2.gz UUPHLSXQMXVJKT-LJQANCHMSA-N 2 2 386.456 -0.206 20 0 GBADLP O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000280398248 1073991721 /nfs/dbraw/zinc/99/17/21/1073991721.db2.gz JCVBBHKSTZWSSW-UHFFFAOYSA-N 2 2 376.461 -0.468 20 0 GBADLP O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000280398248 1073991717 /nfs/dbraw/zinc/99/17/17/1073991717.db2.gz JCVBBHKSTZWSSW-UHFFFAOYSA-N 2 2 376.461 -0.468 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000280501997 1072155537 /nfs/dbraw/zinc/15/55/37/1072155537.db2.gz CFTRCMMHUZQEJN-GOSISDBHSA-N 2 2 386.460 -0.791 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000280501997 1072155529 /nfs/dbraw/zinc/15/55/29/1072155529.db2.gz CFTRCMMHUZQEJN-GOSISDBHSA-N 2 2 386.460 -0.791 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000280502001 1072155580 /nfs/dbraw/zinc/15/55/80/1072155580.db2.gz CFTRCMMHUZQEJN-SFHVURJKSA-N 2 2 386.460 -0.791 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000280502001 1072155578 /nfs/dbraw/zinc/15/55/78/1072155578.db2.gz CFTRCMMHUZQEJN-SFHVURJKSA-N 2 2 386.460 -0.791 20 0 GBADLP CNS(=O)(=O)NC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000281020131 1073407648 /nfs/dbraw/zinc/40/76/48/1073407648.db2.gz OGXUGXNXEYCFSK-UHFFFAOYSA-N 2 2 383.522 -0.753 20 0 GBADLP CNS(=O)(=O)NC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000281101813 1073410658 /nfs/dbraw/zinc/41/06/58/1073410658.db2.gz VYNGFYGOPIWWFS-KRWDZBQOSA-N 2 2 397.545 -0.076 20 0 GBADLP CNS(=O)(=O)NC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000281101814 1073412052 /nfs/dbraw/zinc/41/20/52/1073412052.db2.gz VYNGFYGOPIWWFS-QGZVFWFLSA-N 2 2 397.545 -0.076 20 0 GBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000283197851 1072679575 /nfs/dbraw/zinc/67/95/75/1072679575.db2.gz AXGLTBFUYYTBNW-HNNXBMFYSA-N 2 2 393.488 -0.333 20 0 GBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCCn1cc[nH+]c1 ZINC000284135301 1072352594 /nfs/dbraw/zinc/35/25/94/1072352594.db2.gz XASNDQSAPVPACF-UHFFFAOYSA-N 2 2 386.460 -0.882 20 0 GBADLP CC(=O)N1CC(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000328633144 1073132596 /nfs/dbraw/zinc/13/25/96/1073132596.db2.gz ATDVBJVKJOSXPF-UHFFFAOYSA-N 2 2 379.505 -0.839 20 0 GBADLP C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328691310 1073133968 /nfs/dbraw/zinc/13/39/68/1073133968.db2.gz RETDFUMKTHQSOI-KRWDZBQOSA-N 2 2 381.521 -0.985 20 0 GBADLP C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328691311 1073134166 /nfs/dbraw/zinc/13/41/66/1073134166.db2.gz RETDFUMKTHQSOI-QGZVFWFLSA-N 2 2 381.521 -0.985 20 0 GBADLP COC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000328810697 1073137017 /nfs/dbraw/zinc/13/70/17/1073137017.db2.gz MOXNATSLWDUEMI-UHFFFAOYSA-N 2 2 396.532 -0.121 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000328867397 530273242 /nfs/dbraw/zinc/27/32/42/530273242.db2.gz CDKXWVYZJBLUHQ-UHFFFAOYSA-N 2 2 375.539 -0.614 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000328867397 530273239 /nfs/dbraw/zinc/27/32/39/530273239.db2.gz CDKXWVYZJBLUHQ-UHFFFAOYSA-N 2 2 375.539 -0.614 20 0 GBADLP C[NH+](C)CC1CC[NH+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000328891544 1072209118 /nfs/dbraw/zinc/20/91/18/1072209118.db2.gz SLKDYXCNODJZLB-KRWDZBQOSA-N 2 2 386.562 -0.409 20 0 GBADLP C[NH+](C)CC1CC[NH+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000328891545 1072208927 /nfs/dbraw/zinc/20/89/27/1072208927.db2.gz SLKDYXCNODJZLB-QGZVFWFLSA-N 2 2 386.562 -0.409 20 0 GBADLP CN(C(=O)[C@@]1(O)CCSC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328939187 1072216073 /nfs/dbraw/zinc/21/60/73/1072216073.db2.gz DPSVPGHQTKIXFC-GOSISDBHSA-N 2 2 384.546 -0.449 20 0 GBADLP CN(C(=O)[C@]1(O)CCSC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328939188 1072215969 /nfs/dbraw/zinc/21/59/69/1072215969.db2.gz DPSVPGHQTKIXFC-SFHVURJKSA-N 2 2 384.546 -0.449 20 0 GBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000329052612 1073346356 /nfs/dbraw/zinc/34/63/56/1073346356.db2.gz WXBPPTFFHYCTHY-BBWFWOEESA-N 2 2 380.489 -0.901 20 0 GBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000329052612 1073346352 /nfs/dbraw/zinc/34/63/52/1073346352.db2.gz WXBPPTFFHYCTHY-BBWFWOEESA-N 2 2 380.489 -0.901 20 0 GBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000329052614 1073346078 /nfs/dbraw/zinc/34/60/78/1073346078.db2.gz WXBPPTFFHYCTHY-IKGGRYGDSA-N 2 2 380.489 -0.901 20 0 GBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000329052614 1073346064 /nfs/dbraw/zinc/34/60/64/1073346064.db2.gz WXBPPTFFHYCTHY-IKGGRYGDSA-N 2 2 380.489 -0.901 20 0 GBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000329052617 1073346212 /nfs/dbraw/zinc/34/62/12/1073346212.db2.gz WXBPPTFFHYCTHY-ULQDDVLXSA-N 2 2 380.489 -0.901 20 0 GBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000329052617 1073346207 /nfs/dbraw/zinc/34/62/07/1073346207.db2.gz WXBPPTFFHYCTHY-ULQDDVLXSA-N 2 2 380.489 -0.901 20 0 GBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000329052619 1073345993 /nfs/dbraw/zinc/34/59/93/1073345993.db2.gz WXBPPTFFHYCTHY-ZACQAIPSSA-N 2 2 380.489 -0.901 20 0 GBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000329052619 1073345983 /nfs/dbraw/zinc/34/59/83/1073345983.db2.gz WXBPPTFFHYCTHY-ZACQAIPSSA-N 2 2 380.489 -0.901 20 0 GBADLP CO[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)[N@@H+](C)C1 ZINC000329111744 1072403000 /nfs/dbraw/zinc/40/30/00/1072403000.db2.gz GWOUGDGNGXTTPM-ROUUACIJSA-N 2 2 395.548 -0.598 20 0 GBADLP CO[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)[N@H+](C)C1 ZINC000329111744 1072402995 /nfs/dbraw/zinc/40/29/95/1072402995.db2.gz GWOUGDGNGXTTPM-ROUUACIJSA-N 2 2 395.548 -0.598 20 0 GBADLP Cc1cnn(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000329131097 1073350465 /nfs/dbraw/zinc/35/04/65/1073350465.db2.gz AAAIWJZJMMCXRH-UHFFFAOYSA-N 2 2 376.505 -0.112 20 0 GBADLP CN(C(=O)CN1CSCC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329135048 1073350535 /nfs/dbraw/zinc/35/05/35/1073350535.db2.gz GDORAAMPHKLLCQ-UHFFFAOYSA-N 2 2 397.545 -0.784 20 0 GBADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000329147688 1073351313 /nfs/dbraw/zinc/35/13/13/1073351313.db2.gz BALVPXKCEJLMDF-INIZCTEOSA-N 2 2 382.505 -0.775 20 0 GBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000329147689 1073350646 /nfs/dbraw/zinc/35/06/46/1073350646.db2.gz BALVPXKCEJLMDF-MRXNPFEDSA-N 2 2 382.505 -0.775 20 0 GBADLP CN(C(=O)CN1CCCC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329151794 1073352395 /nfs/dbraw/zinc/35/23/95/1073352395.db2.gz SPLSYJZRGWFIEI-UHFFFAOYSA-N 2 2 379.505 -0.694 20 0 GBADLP CN(C(=O)[C@H]1CCN(C)C(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329169600 1072467569 /nfs/dbraw/zinc/46/75/69/1072467569.db2.gz JRHOXXQRTDTBOX-INIZCTEOSA-N 2 2 393.532 -0.448 20 0 GBADLP CN(C(=O)[C@@H]1CCN(C)C(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329169601 1072467430 /nfs/dbraw/zinc/46/74/30/1072467430.db2.gz JRHOXXQRTDTBOX-MRXNPFEDSA-N 2 2 393.532 -0.448 20 0 GBADLP CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329172361 1073353395 /nfs/dbraw/zinc/35/33/95/1073353395.db2.gz KZPGRDLBTNSICZ-GOSISDBHSA-N 2 2 393.532 -0.306 20 0 GBADLP CC(=O)N1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329172363 1073353592 /nfs/dbraw/zinc/35/35/92/1073353592.db2.gz KZPGRDLBTNSICZ-SFHVURJKSA-N 2 2 393.532 -0.306 20 0 GBADLP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)n1cncn1 ZINC000329181949 1073354371 /nfs/dbraw/zinc/35/43/71/1073354371.db2.gz NQAPYLUHIPNUDT-HNNXBMFYSA-N 2 2 377.493 -0.464 20 0 GBADLP C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)n1cncn1 ZINC000329181950 1073353919 /nfs/dbraw/zinc/35/39/19/1073353919.db2.gz NQAPYLUHIPNUDT-OAHLLOKOSA-N 2 2 377.493 -0.464 20 0 GBADLP CN(C(=O)[C@H]1CC(=O)N(C)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329191560 1072468224 /nfs/dbraw/zinc/46/82/24/1072468224.db2.gz SJUSEPXWUWXYTK-HNNXBMFYSA-N 2 2 379.505 -0.839 20 0 GBADLP CN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329191561 1072468446 /nfs/dbraw/zinc/46/84/46/1072468446.db2.gz SJUSEPXWUWXYTK-OAHLLOKOSA-N 2 2 379.505 -0.839 20 0 GBADLP CN(C(=O)CCn1ccnn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329198457 1073355317 /nfs/dbraw/zinc/35/53/17/1073355317.db2.gz WPUJUUAEFLNOED-UHFFFAOYSA-N 2 2 377.493 -0.635 20 0 GBADLP CN(C(=O)CN1CCCCC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329200798 1073355118 /nfs/dbraw/zinc/35/51/18/1073355118.db2.gz XKWYCRFZBMXLOW-UHFFFAOYSA-N 2 2 393.532 -0.304 20 0 GBADLP CC(C)(O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329346891 1073360422 /nfs/dbraw/zinc/36/04/22/1073360422.db2.gz DDZUPTNUYRCMPW-KRWDZBQOSA-N 2 2 396.532 -0.385 20 0 GBADLP CC(C)(O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329346893 1073360141 /nfs/dbraw/zinc/36/01/41/1073360141.db2.gz DDZUPTNUYRCMPW-QGZVFWFLSA-N 2 2 396.532 -0.385 20 0 GBADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329416387 1073362995 /nfs/dbraw/zinc/36/29/95/1073362995.db2.gz DDQVFMQTMCYVGY-INIZCTEOSA-N 2 2 387.550 -0.503 20 0 GBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329416387 1073362989 /nfs/dbraw/zinc/36/29/89/1073362989.db2.gz DDQVFMQTMCYVGY-INIZCTEOSA-N 2 2 387.550 -0.503 20 0 GBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329416388 1073363562 /nfs/dbraw/zinc/36/35/62/1073363562.db2.gz DDQVFMQTMCYVGY-MRXNPFEDSA-N 2 2 387.550 -0.503 20 0 GBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329416388 1073363553 /nfs/dbraw/zinc/36/35/53/1073363553.db2.gz DDQVFMQTMCYVGY-MRXNPFEDSA-N 2 2 387.550 -0.503 20 0 GBADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000329546174 1072514758 /nfs/dbraw/zinc/51/47/58/1072514758.db2.gz OHRXRDKKEDMONL-FGTMMUONSA-N 2 2 394.516 -0.511 20 0 GBADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000329546174 1072514754 /nfs/dbraw/zinc/51/47/54/1072514754.db2.gz OHRXRDKKEDMONL-FGTMMUONSA-N 2 2 394.516 -0.511 20 0 GBADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000329546180 1072514976 /nfs/dbraw/zinc/51/49/76/1072514976.db2.gz OHRXRDKKEDMONL-OKZBNKHCSA-N 2 2 394.516 -0.511 20 0 GBADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000329546180 1072514963 /nfs/dbraw/zinc/51/49/63/1072514963.db2.gz OHRXRDKKEDMONL-OKZBNKHCSA-N 2 2 394.516 -0.511 20 0 GBADLP C[NH+]1CCC(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000329691791 1072534455 /nfs/dbraw/zinc/53/44/55/1072534455.db2.gz WJUYVALQOAUPDF-UHFFFAOYSA-N 2 2 387.550 -0.645 20 0 GBADLP CN(C(=O)CN1CC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329761663 1072546385 /nfs/dbraw/zinc/54/63/85/1072546385.db2.gz RSHJVMWMNVIWGW-UHFFFAOYSA-N 2 2 394.476 -0.925 20 0 GBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329868809 1073385283 /nfs/dbraw/zinc/38/52/83/1073385283.db2.gz XWUZMTXRICMLQS-HOTGVXAUSA-N 2 2 387.550 -0.504 20 0 GBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329868810 1073385600 /nfs/dbraw/zinc/38/56/00/1073385600.db2.gz XWUZMTXRICMLQS-HZPDHXFCSA-N 2 2 387.550 -0.504 20 0 GBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329868811 1073385298 /nfs/dbraw/zinc/38/52/98/1073385298.db2.gz XWUZMTXRICMLQS-IYBDPMFKSA-N 2 2 387.550 -0.504 20 0 GBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329868811 1073385296 /nfs/dbraw/zinc/38/52/96/1073385296.db2.gz XWUZMTXRICMLQS-IYBDPMFKSA-N 2 2 387.550 -0.504 20 0 GBADLP C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000329888017 1073386860 /nfs/dbraw/zinc/38/68/60/1073386860.db2.gz YFRNBNPOGUUVEF-HOTGVXAUSA-N 2 2 387.550 -0.647 20 0 GBADLP C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000329888017 1073386853 /nfs/dbraw/zinc/38/68/53/1073386853.db2.gz YFRNBNPOGUUVEF-HOTGVXAUSA-N 2 2 387.550 -0.647 20 0 GBADLP CN(C(=O)Cc1ccnn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329889055 1073386661 /nfs/dbraw/zinc/38/66/61/1073386661.db2.gz ZQSDDXWLDADHGM-UHFFFAOYSA-N 2 2 376.505 -0.341 20 0 GBADLP CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000329929130 1073388796 /nfs/dbraw/zinc/38/87/96/1073388796.db2.gz NDCFTXGDOQCSEG-UHFFFAOYSA-N 2 2 387.550 -0.645 20 0 GBADLP CN(C(=O)[C@@H]1CCCN1C(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329997003 1073391558 /nfs/dbraw/zinc/39/15/58/1073391558.db2.gz PUHZWTRFUGNZNK-INIZCTEOSA-N 2 2 394.520 -0.360 20 0 GBADLP CN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330004350 1073391450 /nfs/dbraw/zinc/39/14/50/1073391450.db2.gz AZIZPVOEQUNRPQ-CVEARBPZSA-N 2 2 395.504 -0.234 20 0 GBADLP CN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330004351 1073391338 /nfs/dbraw/zinc/39/13/38/1073391338.db2.gz AZIZPVOEQUNRPQ-HOTGVXAUSA-N 2 2 395.504 -0.234 20 0 GBADLP CN(C(=O)[C@H]1CC[C@H](C(N)=O)O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330004352 1073391507 /nfs/dbraw/zinc/39/15/07/1073391507.db2.gz AZIZPVOEQUNRPQ-HZPDHXFCSA-N 2 2 395.504 -0.234 20 0 GBADLP CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330004353 1073391289 /nfs/dbraw/zinc/39/12/89/1073391289.db2.gz AZIZPVOEQUNRPQ-JKSUJKDBSA-N 2 2 395.504 -0.234 20 0 GBADLP CN(C(=O)C1(O)CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330012639 1073329298 /nfs/dbraw/zinc/32/92/98/1073329298.db2.gz KWYBDSGQHTVKDA-UHFFFAOYSA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000330086928 1073394749 /nfs/dbraw/zinc/39/47/49/1073394749.db2.gz MSQJRMSQSMLFSI-BZSNNMDCSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000330086928 1073394741 /nfs/dbraw/zinc/39/47/41/1073394741.db2.gz MSQJRMSQSMLFSI-BZSNNMDCSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000330086929 1073394484 /nfs/dbraw/zinc/39/44/84/1073394484.db2.gz MSQJRMSQSMLFSI-FGTMMUONSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000330086929 1073394474 /nfs/dbraw/zinc/39/44/74/1073394474.db2.gz MSQJRMSQSMLFSI-FGTMMUONSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000330086930 1073394537 /nfs/dbraw/zinc/39/45/37/1073394537.db2.gz MSQJRMSQSMLFSI-OKZBNKHCSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000330086930 1073394528 /nfs/dbraw/zinc/39/45/28/1073394528.db2.gz MSQJRMSQSMLFSI-OKZBNKHCSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000330086931 1073394871 /nfs/dbraw/zinc/39/48/71/1073394871.db2.gz MSQJRMSQSMLFSI-SQNIBIBYSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000330086931 1073394859 /nfs/dbraw/zinc/39/48/59/1073394859.db2.gz MSQJRMSQSMLFSI-SQNIBIBYSA-N 2 2 396.532 -0.387 20 0 GBADLP CC(=O)N1CC[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000330188523 1073399571 /nfs/dbraw/zinc/39/95/71/1073399571.db2.gz UPSHPHDYBJMTPD-KRWDZBQOSA-N 2 2 393.532 -0.448 20 0 GBADLP CC(=O)N1CC[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000330188524 1073399885 /nfs/dbraw/zinc/39/98/85/1073399885.db2.gz UPSHPHDYBJMTPD-QGZVFWFLSA-N 2 2 393.532 -0.448 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330217409 1073282465 /nfs/dbraw/zinc/28/24/65/1073282465.db2.gz NWPFQPSIKNLVKQ-INIZCTEOSA-N 2 2 380.493 0.307 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330217410 1073282723 /nfs/dbraw/zinc/28/27/23/1073282723.db2.gz NWPFQPSIKNLVKQ-MRXNPFEDSA-N 2 2 380.493 0.307 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000330317703 1073412837 /nfs/dbraw/zinc/41/28/37/1073412837.db2.gz QMUUNRAFCIXCSV-DLBZAZTESA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000330317704 1073413262 /nfs/dbraw/zinc/41/32/62/1073413262.db2.gz QMUUNRAFCIXCSV-IRXDYDNUSA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1CCO ZINC000330324771 1073416933 /nfs/dbraw/zinc/41/69/33/1073416933.db2.gz UGPSAACXGJEQGG-DLBZAZTESA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1CCO ZINC000330324771 1073416929 /nfs/dbraw/zinc/41/69/29/1073416929.db2.gz UGPSAACXGJEQGG-DLBZAZTESA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1CCO ZINC000330324772 1073417125 /nfs/dbraw/zinc/41/71/25/1073417125.db2.gz UGPSAACXGJEQGG-IAGOWNOFSA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1CCO ZINC000330324772 1073417122 /nfs/dbraw/zinc/41/71/22/1073417122.db2.gz UGPSAACXGJEQGG-IAGOWNOFSA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1CCO ZINC000330324773 1073416965 /nfs/dbraw/zinc/41/69/65/1073416965.db2.gz UGPSAACXGJEQGG-IRXDYDNUSA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1CCO ZINC000330324773 1073416961 /nfs/dbraw/zinc/41/69/61/1073416961.db2.gz UGPSAACXGJEQGG-IRXDYDNUSA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1CCO ZINC000330324774 1073417003 /nfs/dbraw/zinc/41/70/03/1073417003.db2.gz UGPSAACXGJEQGG-SJORKVTESA-N 2 2 382.505 -0.775 20 0 GBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1CCO ZINC000330324774 1073416999 /nfs/dbraw/zinc/41/69/99/1073416999.db2.gz UGPSAACXGJEQGG-SJORKVTESA-N 2 2 382.505 -0.775 20 0 GBADLP COC(=O)C(C)(C)CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330450832 530274457 /nfs/dbraw/zinc/27/44/57/530274457.db2.gz UGWXOYJKHAOETG-UHFFFAOYSA-N 2 2 376.523 -0.315 20 0 GBADLP CN(C(=O)CNC(=O)C(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330641956 1073150523 /nfs/dbraw/zinc/15/05/23/1073150523.db2.gz DRXVNKXYGKLDHV-UHFFFAOYSA-N 2 2 395.548 -0.155 20 0 GBADLP CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](CC)CC ZINC000330959188 1073158460 /nfs/dbraw/zinc/15/84/60/1073158460.db2.gz KWUMEZUNWBIIHM-INIZCTEOSA-N 2 2 389.566 -0.257 20 0 GBADLP CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](CC)CC ZINC000330959189 1073158481 /nfs/dbraw/zinc/15/84/81/1073158481.db2.gz KWUMEZUNWBIIHM-MRXNPFEDSA-N 2 2 389.566 -0.257 20 0 GBADLP CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[NH+](CC)CC2)CC1 ZINC000330971111 530277690 /nfs/dbraw/zinc/27/76/90/530277690.db2.gz MUERETCPVNWPNM-UHFFFAOYSA-N 2 2 396.579 -0.689 20 0 GBADLP C[C@H](CC[NH+]1CC[C@H](NS(C)(=O)=O)C1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195966 530279173 /nfs/dbraw/zinc/27/91/73/530279173.db2.gz UFEIRTQPWBHDOZ-HZSPNIEDSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[NH+]1CC[C@H](NS(C)(=O)=O)C1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195966 530279172 /nfs/dbraw/zinc/27/91/72/530279172.db2.gz UFEIRTQPWBHDOZ-HZSPNIEDSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1)[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195966 530279170 /nfs/dbraw/zinc/27/91/70/530279170.db2.gz UFEIRTQPWBHDOZ-HZSPNIEDSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195966 530279168 /nfs/dbraw/zinc/27/91/68/530279168.db2.gz UFEIRTQPWBHDOZ-HZSPNIEDSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195967 530279350 /nfs/dbraw/zinc/27/93/50/530279350.db2.gz UFEIRTQPWBHDOZ-MCIONIFRSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195967 530279348 /nfs/dbraw/zinc/27/93/48/530279348.db2.gz UFEIRTQPWBHDOZ-MCIONIFRSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195967 530279347 /nfs/dbraw/zinc/27/93/47/530279347.db2.gz UFEIRTQPWBHDOZ-MCIONIFRSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195967 530279346 /nfs/dbraw/zinc/27/93/46/530279346.db2.gz UFEIRTQPWBHDOZ-MCIONIFRSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195968 530279107 /nfs/dbraw/zinc/27/91/07/530279107.db2.gz UFEIRTQPWBHDOZ-MGPQQGTHSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195968 530279106 /nfs/dbraw/zinc/27/91/06/530279106.db2.gz UFEIRTQPWBHDOZ-MGPQQGTHSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195968 530279104 /nfs/dbraw/zinc/27/91/04/530279104.db2.gz UFEIRTQPWBHDOZ-MGPQQGTHSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195968 530279102 /nfs/dbraw/zinc/27/91/02/530279102.db2.gz UFEIRTQPWBHDOZ-MGPQQGTHSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[NH+]1CC[C@H](NS(C)(=O)=O)C1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195969 530279274 /nfs/dbraw/zinc/27/92/74/530279274.db2.gz UFEIRTQPWBHDOZ-RDBSUJKOSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[NH+]1CC[C@H](NS(C)(=O)=O)C1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195969 530279272 /nfs/dbraw/zinc/27/92/72/530279272.db2.gz UFEIRTQPWBHDOZ-RDBSUJKOSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1)[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195969 530279270 /nfs/dbraw/zinc/27/92/70/530279270.db2.gz UFEIRTQPWBHDOZ-RDBSUJKOSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@H](CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195969 530279268 /nfs/dbraw/zinc/27/92/68/530279268.db2.gz UFEIRTQPWBHDOZ-RDBSUJKOSA-N 2 2 382.552 -0.988 20 0 GBADLP C[NH+]1CCO[C@@H](C(=O)NCc2cccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)c2)C1 ZINC000332767248 1072949250 /nfs/dbraw/zinc/94/92/50/1072949250.db2.gz FDYYHGZXNYUEGJ-QZTJIDSGSA-N 2 2 390.484 -0.420 20 0 GBADLP C[NH+]1CCO[C@@H](C(=O)NCc2cccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)c2)C1 ZINC000332767248 1072949243 /nfs/dbraw/zinc/94/92/43/1072949243.db2.gz FDYYHGZXNYUEGJ-QZTJIDSGSA-N 2 2 390.484 -0.420 20 0 GBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332825313 1072957566 /nfs/dbraw/zinc/95/75/66/1072957566.db2.gz UPLCJHZRHIMNAA-DLBZAZTESA-N 2 2 381.521 -0.938 20 0 GBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332825313 1072957562 /nfs/dbraw/zinc/95/75/62/1072957562.db2.gz UPLCJHZRHIMNAA-DLBZAZTESA-N 2 2 381.521 -0.938 20 0 GBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000332825314 1072957763 /nfs/dbraw/zinc/95/77/63/1072957763.db2.gz UPLCJHZRHIMNAA-IRXDYDNUSA-N 2 2 381.521 -0.938 20 0 GBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000332825314 1072957758 /nfs/dbraw/zinc/95/77/58/1072957758.db2.gz UPLCJHZRHIMNAA-IRXDYDNUSA-N 2 2 381.521 -0.938 20 0 GBADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)C1 ZINC000332875383 1072963436 /nfs/dbraw/zinc/96/34/36/1072963436.db2.gz CWJCWBZMKIMNHP-MOPGFXCFSA-N 2 2 396.580 -0.331 20 0 GBADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C1 ZINC000332875383 1072963425 /nfs/dbraw/zinc/96/34/25/1072963425.db2.gz CWJCWBZMKIMNHP-MOPGFXCFSA-N 2 2 396.580 -0.331 20 0 GBADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C)CCN3C)CC2)C1 ZINC000332875383 1072963416 /nfs/dbraw/zinc/96/34/16/1072963416.db2.gz CWJCWBZMKIMNHP-MOPGFXCFSA-N 2 2 396.580 -0.331 20 0 GBADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C)CCN3C)CC2)C1 ZINC000332875383 1072963405 /nfs/dbraw/zinc/96/34/05/1072963405.db2.gz CWJCWBZMKIMNHP-MOPGFXCFSA-N 2 2 396.580 -0.331 20 0 GBADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)C1 ZINC000332875389 1072963321 /nfs/dbraw/zinc/96/33/21/1072963321.db2.gz CWJCWBZMKIMNHP-OALUTQOASA-N 2 2 396.580 -0.331 20 0 GBADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C1 ZINC000332875389 1072963316 /nfs/dbraw/zinc/96/33/16/1072963316.db2.gz CWJCWBZMKIMNHP-OALUTQOASA-N 2 2 396.580 -0.331 20 0 GBADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C)CCN3C)CC2)C1 ZINC000332875389 1072963311 /nfs/dbraw/zinc/96/33/11/1072963311.db2.gz CWJCWBZMKIMNHP-OALUTQOASA-N 2 2 396.580 -0.331 20 0 GBADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C)CCN3C)CC2)C1 ZINC000332875389 1072963307 /nfs/dbraw/zinc/96/33/07/1072963307.db2.gz CWJCWBZMKIMNHP-OALUTQOASA-N 2 2 396.580 -0.331 20 0 GBADLP C[NH+]1CCO[C@@H](C(=O)NCC2CCC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000332926818 1072974290 /nfs/dbraw/zinc/97/42/90/1072974290.db2.gz HBUJQPYJKCOJOM-OPQOLIRYSA-N 2 2 396.532 -0.314 20 0 GBADLP C[NH+]1CCO[C@@H](C(=O)NCC2CCC(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000332926818 1072974284 /nfs/dbraw/zinc/97/42/84/1072974284.db2.gz HBUJQPYJKCOJOM-OPQOLIRYSA-N 2 2 396.532 -0.314 20 0 GBADLP CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000333425430 1073960986 /nfs/dbraw/zinc/96/09/86/1073960986.db2.gz ISBLQBYWQFXHKC-UHFFFAOYSA-N 2 2 380.493 0.136 20 0 GBADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333791845 1073008349 /nfs/dbraw/zinc/00/83/49/1073008349.db2.gz MNBKPZKORNWMQT-UHFFFAOYSA-N 2 2 396.517 -0.609 20 0 GBADLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)CCCS(N)(=O)=O)CC1 ZINC000349447697 530075969 /nfs/dbraw/zinc/07/59/69/530075969.db2.gz JBIGTASTOPFZDH-UHFFFAOYSA-N 2 2 377.492 -0.746 20 0 GBADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349460516 530077349 /nfs/dbraw/zinc/07/73/49/530077349.db2.gz ILHHTKSZPMUUDN-KBPBESRZSA-N 2 2 390.531 -0.011 20 0 GBADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349460516 530077348 /nfs/dbraw/zinc/07/73/48/530077348.db2.gz ILHHTKSZPMUUDN-KBPBESRZSA-N 2 2 390.531 -0.011 20 0 GBADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC[N@@H+]1C ZINC000349460517 530077526 /nfs/dbraw/zinc/07/75/26/530077526.db2.gz ILHHTKSZPMUUDN-KGLIPLIRSA-N 2 2 390.531 -0.011 20 0 GBADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC[N@H+]1C ZINC000349460517 530077524 /nfs/dbraw/zinc/07/75/24/530077524.db2.gz ILHHTKSZPMUUDN-KGLIPLIRSA-N 2 2 390.531 -0.011 20 0 GBADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349460518 530077305 /nfs/dbraw/zinc/07/73/05/530077305.db2.gz ILHHTKSZPMUUDN-UONOGXRCSA-N 2 2 390.531 -0.011 20 0 GBADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349460518 530077304 /nfs/dbraw/zinc/07/73/04/530077304.db2.gz ILHHTKSZPMUUDN-UONOGXRCSA-N 2 2 390.531 -0.011 20 0 GBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349460519 530077356 /nfs/dbraw/zinc/07/73/56/530077356.db2.gz ILHHTKSZPMUUDN-ZIAGYGMSSA-N 2 2 390.531 -0.011 20 0 GBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349460519 530077354 /nfs/dbraw/zinc/07/73/54/530077354.db2.gz ILHHTKSZPMUUDN-ZIAGYGMSSA-N 2 2 390.531 -0.011 20 0 GBADLP C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349464409 530332369 /nfs/dbraw/zinc/33/23/69/530332369.db2.gz NQXZTTHMXPIUCD-AWEZNQCLSA-N 2 2 390.531 -0.151 20 0 GBADLP C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349464410 530332303 /nfs/dbraw/zinc/33/23/03/530332303.db2.gz NQXZTTHMXPIUCD-CQSZACIVSA-N 2 2 390.531 -0.151 20 0 GBADLP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349470667 530364243 /nfs/dbraw/zinc/36/42/43/530364243.db2.gz CRICBYMNNHLLRZ-HNNXBMFYSA-N 2 2 390.531 -0.009 20 0 GBADLP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349470667 530364241 /nfs/dbraw/zinc/36/42/41/530364241.db2.gz CRICBYMNNHLLRZ-HNNXBMFYSA-N 2 2 390.531 -0.009 20 0 GBADLP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349470668 530364084 /nfs/dbraw/zinc/36/40/84/530364084.db2.gz CRICBYMNNHLLRZ-OAHLLOKOSA-N 2 2 390.531 -0.009 20 0 GBADLP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349470668 530364082 /nfs/dbraw/zinc/36/40/82/530364082.db2.gz CRICBYMNNHLLRZ-OAHLLOKOSA-N 2 2 390.531 -0.009 20 0 GBADLP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3cc[nH+]cc3)C[C@@H]21 ZINC000349473835 530080250 /nfs/dbraw/zinc/08/02/50/530080250.db2.gz ZMAIQGDXTGPLNZ-HIFRSBDPSA-N 2 2 388.515 -0.399 20 0 GBADLP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3cc[nH+]cc3)C[C@@H]21 ZINC000349473835 530080248 /nfs/dbraw/zinc/08/02/48/530080248.db2.gz ZMAIQGDXTGPLNZ-HIFRSBDPSA-N 2 2 388.515 -0.399 20 0 GBADLP C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3cc[nH+]cc3)C[C@@H]2C1 ZINC000349496117 530083354 /nfs/dbraw/zinc/08/33/54/530083354.db2.gz PEAZFWHSVXZIFN-OKILXGFUSA-N 2 2 388.515 -0.542 20 0 GBADLP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3cc[nH+]cc3)C[C@@H]2C1 ZINC000349496117 530083353 /nfs/dbraw/zinc/08/33/53/530083353.db2.gz PEAZFWHSVXZIFN-OKILXGFUSA-N 2 2 388.515 -0.542 20 0 GBADLP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)cc[nH+]1 ZINC000349504131 530084960 /nfs/dbraw/zinc/08/49/60/530084960.db2.gz QLBKLQRVMSXCDV-UHFFFAOYSA-N 2 2 376.504 -0.481 20 0 GBADLP C[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C(C)(C)C1 ZINC000349506828 530085395 /nfs/dbraw/zinc/08/53/95/530085395.db2.gz UGIAVKHYQGJZKR-UHFFFAOYSA-N 2 2 390.531 -0.009 20 0 GBADLP C[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C(C)(C)C1 ZINC000349506828 530085394 /nfs/dbraw/zinc/08/53/94/530085394.db2.gz UGIAVKHYQGJZKR-UHFFFAOYSA-N 2 2 390.531 -0.009 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CCn2c[nH+]cc2C1)Nc1cc[nH+]cc1 ZINC000349509911 530086102 /nfs/dbraw/zinc/08/61/02/530086102.db2.gz ZSJMGJIUHLAAHE-UHFFFAOYSA-N 2 2 385.471 -0.323 20 0 GBADLP CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1C ZINC000349512222 530366452 /nfs/dbraw/zinc/36/64/52/530366452.db2.gz VFWCABKKDOVDQU-AWEZNQCLSA-N 2 2 390.531 -0.009 20 0 GBADLP CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1C ZINC000349512224 530366560 /nfs/dbraw/zinc/36/65/60/530366560.db2.gz VFWCABKKDOVDQU-CQSZACIVSA-N 2 2 390.531 -0.009 20 0 GBADLP C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H](C)[N@@H+]1C ZINC000349514623 530086461 /nfs/dbraw/zinc/08/64/61/530086461.db2.gz VMEJAJTYPCWHHS-OKILXGFUSA-N 2 2 390.531 -0.011 20 0 GBADLP C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H](C)[N@H+]1C ZINC000349514623 530086459 /nfs/dbraw/zinc/08/64/59/530086459.db2.gz VMEJAJTYPCWHHS-OKILXGFUSA-N 2 2 390.531 -0.011 20 0 GBADLP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349518192 530087019 /nfs/dbraw/zinc/08/70/19/530087019.db2.gz GPRXSBVIZVUKHB-HNNXBMFYSA-N 2 2 390.531 -0.009 20 0 GBADLP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349518193 530086956 /nfs/dbraw/zinc/08/69/56/530086956.db2.gz GPRXSBVIZVUKHB-OAHLLOKOSA-N 2 2 390.531 -0.009 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[NH+](C2CC2)CC1)Nc1cc[nH+]cc1 ZINC000349530061 530088660 /nfs/dbraw/zinc/08/86/60/530088660.db2.gz BWGSNSQNFXAUJS-UHFFFAOYSA-N 2 2 388.515 -0.255 20 0 GBADLP CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349531224 530088558 /nfs/dbraw/zinc/08/85/58/530088558.db2.gz GYFLZEWDSPZJKL-UHFFFAOYSA-N 2 2 390.531 -0.009 20 0 GBADLP CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349532722 530088922 /nfs/dbraw/zinc/08/89/22/530088922.db2.gz PFJARMUHXRDODA-UHFFFAOYSA-N 2 2 390.531 -0.007 20 0 GBADLP CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349532722 530088921 /nfs/dbraw/zinc/08/89/21/530088921.db2.gz PFJARMUHXRDODA-UHFFFAOYSA-N 2 2 390.531 -0.007 20 0 GBADLP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000349534457 530089224 /nfs/dbraw/zinc/08/92/24/530089224.db2.gz GVCSBMGUDHDYDM-UHFFFAOYSA-N 2 2 376.504 -0.479 20 0 GBADLP CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000349536816 530340644 /nfs/dbraw/zinc/34/06/44/530340644.db2.gz LYBKKGWNQHFOEB-UHFFFAOYSA-N 2 2 390.531 -0.089 20 0 GBADLP C[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349541233 530091134 /nfs/dbraw/zinc/09/11/34/530091134.db2.gz VQIKTIIIXYXIPV-UHFFFAOYSA-N 2 2 376.504 -0.397 20 0 GBADLP C[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349541233 530091132 /nfs/dbraw/zinc/09/11/32/530091132.db2.gz VQIKTIIIXYXIPV-UHFFFAOYSA-N 2 2 376.504 -0.397 20 0 GBADLP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)cc[nH+]1 ZINC000349542287 530091203 /nfs/dbraw/zinc/09/12/03/530091203.db2.gz XPZXTEJEVVTPTN-UHFFFAOYSA-N 2 2 390.531 -0.089 20 0 GBADLP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)cc[nH+]1 ZINC000349542287 530091202 /nfs/dbraw/zinc/09/12/02/530091202.db2.gz XPZXTEJEVVTPTN-UHFFFAOYSA-N 2 2 390.531 -0.089 20 0 GBADLP CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349542923 530341169 /nfs/dbraw/zinc/34/11/69/530341169.db2.gz YSLNAXFKMVBQGP-UHFFFAOYSA-N 2 2 376.504 -0.397 20 0 GBADLP C[N@@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349574149 530094504 /nfs/dbraw/zinc/09/45/04/530094504.db2.gz MORUVFMKGISOKL-UHFFFAOYSA-N 2 2 388.515 -0.183 20 0 GBADLP C[N@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349574149 530094503 /nfs/dbraw/zinc/09/45/03/530094503.db2.gz MORUVFMKGISOKL-UHFFFAOYSA-N 2 2 388.515 -0.183 20 0 GBADLP Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000349579315 530094303 /nfs/dbraw/zinc/09/43/03/530094303.db2.gz CGXAXFLUKFXCSH-UHFFFAOYSA-N 2 2 390.531 -0.089 20 0 GBADLP C[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349592968 530340280 /nfs/dbraw/zinc/34/02/80/530340280.db2.gz UDWKAXMISXHYRO-UHFFFAOYSA-N 2 2 376.504 -0.397 20 0 GBADLP C[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349595130 530096105 /nfs/dbraw/zinc/09/61/05/530096105.db2.gz WQCYKNJTKPEKJK-UHFFFAOYSA-N 2 2 390.531 -0.007 20 0 GBADLP C[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349595130 530096104 /nfs/dbraw/zinc/09/61/04/530096104.db2.gz WQCYKNJTKPEKJK-UHFFFAOYSA-N 2 2 390.531 -0.007 20 0 GBADLP CC[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349596658 530371005 /nfs/dbraw/zinc/37/10/05/530371005.db2.gz ZFFQBDPLMBCQSX-UHFFFAOYSA-N 2 2 390.531 -0.007 20 0 GBADLP C[NH+](C)C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349601845 530342285 /nfs/dbraw/zinc/34/22/85/530342285.db2.gz PDYDNGSKDQHHQB-UHFFFAOYSA-N 2 2 376.504 -0.399 20 0 GBADLP Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)cc[nH+]1 ZINC000349605074 530371770 /nfs/dbraw/zinc/37/17/70/530371770.db2.gz UODURAMVCJEEBJ-UHFFFAOYSA-N 2 2 390.531 -0.091 20 0 GBADLP C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349607805 530097006 /nfs/dbraw/zinc/09/70/06/530097006.db2.gz VEVBDSZFTHSQOB-CYBMUJFWSA-N 2 2 376.504 -0.494 20 0 GBADLP C[N@@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349607805 530097005 /nfs/dbraw/zinc/09/70/05/530097005.db2.gz VEVBDSZFTHSQOB-CYBMUJFWSA-N 2 2 376.504 -0.494 20 0 GBADLP C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349607806 530097087 /nfs/dbraw/zinc/09/70/87/530097087.db2.gz VEVBDSZFTHSQOB-ZDUSSCGKSA-N 2 2 376.504 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ZINC000360735353 530302611 /nfs/dbraw/zinc/30/26/11/530302611.db2.gz CSIKQXYUEWXDKX-OAHLLOKOSA-N 2 2 375.539 -0.264 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)C1 ZINC000361746272 530303906 /nfs/dbraw/zinc/30/39/06/530303906.db2.gz VDRBJGSXXPHZAT-AWEZNQCLSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)C1 ZINC000361746272 530303905 /nfs/dbraw/zinc/30/39/05/530303905.db2.gz VDRBJGSXXPHZAT-AWEZNQCLSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)C1 ZINC000361746274 530303610 /nfs/dbraw/zinc/30/36/10/530303610.db2.gz VDRBJGSXXPHZAT-CQSZACIVSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)C1 ZINC000361746274 530303608 /nfs/dbraw/zinc/30/36/08/530303608.db2.gz VDRBJGSXXPHZAT-CQSZACIVSA-N 2 2 376.523 -0.788 20 0 GBADLP CNS(=O)(=O)[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000363180503 530305070 /nfs/dbraw/zinc/30/50/70/530305070.db2.gz FQUWGLIRVTUIDU-GJZGRUSLSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000363180503 530305069 /nfs/dbraw/zinc/30/50/69/530305069.db2.gz FQUWGLIRVTUIDU-GJZGRUSLSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000363180504 530305324 /nfs/dbraw/zinc/30/53/24/530305324.db2.gz FQUWGLIRVTUIDU-HUUCEWRRSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000363180504 530305322 /nfs/dbraw/zinc/30/53/22/530305322.db2.gz FQUWGLIRVTUIDU-HUUCEWRRSA-N 2 2 396.579 -0.596 20 0 GBADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363542151 1072577139 /nfs/dbraw/zinc/57/71/39/1072577139.db2.gz RROFWPFHOGBCIT-QGZVFWFLSA-N 2 2 383.537 -0.197 20 0 GBADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363542151 1072577134 /nfs/dbraw/zinc/57/71/34/1072577134.db2.gz 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CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371927277 530313888 /nfs/dbraw/zinc/31/38/88/530313888.db2.gz FEBMBYPDBIVAOV-CQSZACIVSA-N 2 2 376.523 -0.773 20 0 GBADLP CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371927277 530313887 /nfs/dbraw/zinc/31/38/87/530313887.db2.gz FEBMBYPDBIVAOV-CQSZACIVSA-N 2 2 376.523 -0.773 20 0 GBADLP CNS(=O)(=O)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000372462945 530315197 /nfs/dbraw/zinc/31/51/97/530315197.db2.gz JFRVYHGAIJJEHL-UHFFFAOYSA-N 2 2 375.539 -0.215 20 0 GBADLP CNS(=O)(=O)[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000372731277 530315970 /nfs/dbraw/zinc/31/59/70/530315970.db2.gz ULADLRYZQCTAKW-CABCVRRESA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000372731277 530315967 /nfs/dbraw/zinc/31/59/67/530315967.db2.gz ULADLRYZQCTAKW-CABCVRRESA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000372731277 530315965 /nfs/dbraw/zinc/31/59/65/530315965.db2.gz ULADLRYZQCTAKW-CABCVRRESA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000372731277 530315963 /nfs/dbraw/zinc/31/59/63/530315963.db2.gz ULADLRYZQCTAKW-CABCVRRESA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000372731279 530316016 /nfs/dbraw/zinc/31/60/16/530316016.db2.gz ULADLRYZQCTAKW-GJZGRUSLSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000372731279 530316014 /nfs/dbraw/zinc/31/60/14/530316014.db2.gz ULADLRYZQCTAKW-GJZGRUSLSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000372731279 530316011 /nfs/dbraw/zinc/31/60/11/530316011.db2.gz ULADLRYZQCTAKW-GJZGRUSLSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000372731279 530316010 /nfs/dbraw/zinc/31/60/10/530316010.db2.gz ULADLRYZQCTAKW-GJZGRUSLSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000372731280 530316115 /nfs/dbraw/zinc/31/61/15/530316115.db2.gz ULADLRYZQCTAKW-HUUCEWRRSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000372731280 530316114 /nfs/dbraw/zinc/31/61/14/530316114.db2.gz ULADLRYZQCTAKW-HUUCEWRRSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000372731280 530316113 /nfs/dbraw/zinc/31/61/13/530316113.db2.gz ULADLRYZQCTAKW-HUUCEWRRSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000372731280 530316111 /nfs/dbraw/zinc/31/61/11/530316111.db2.gz ULADLRYZQCTAKW-HUUCEWRRSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000372731281 530316136 /nfs/dbraw/zinc/31/61/36/530316136.db2.gz ULADLRYZQCTAKW-LSDHHAIUSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000372731281 530316134 /nfs/dbraw/zinc/31/61/34/530316134.db2.gz ULADLRYZQCTAKW-LSDHHAIUSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000372731281 530316132 /nfs/dbraw/zinc/31/61/32/530316132.db2.gz ULADLRYZQCTAKW-LSDHHAIUSA-N 2 2 376.523 -0.917 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000372731281 530316131 /nfs/dbraw/zinc/31/61/31/530316131.db2.gz ULADLRYZQCTAKW-LSDHHAIUSA-N 2 2 376.523 -0.917 20 0 GBADLP CCS(=O)(=O)NCC[NH+](C)[C@H]1CCC[N@@H+](CCNS(=O)(=O)CC)CC1 ZINC000372877605 530316103 /nfs/dbraw/zinc/31/61/03/530316103.db2.gz APWSZWYRYUBUCM-HNNXBMFYSA-N 2 2 398.595 -0.349 20 0 GBADLP CCS(=O)(=O)NCC[NH+](C)[C@H]1CCC[N@H+](CCNS(=O)(=O)CC)CC1 ZINC000372877605 530316101 /nfs/dbraw/zinc/31/61/01/530316101.db2.gz APWSZWYRYUBUCM-HNNXBMFYSA-N 2 2 398.595 -0.349 20 0 GBADLP CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCC[NH+](CCNS(=O)(=O)CC)CC1 ZINC000372877605 530316100 /nfs/dbraw/zinc/31/61/00/530316100.db2.gz APWSZWYRYUBUCM-HNNXBMFYSA-N 2 2 398.595 -0.349 20 0 GBADLP CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCC[NH+](CCNS(=O)(=O)CC)CC1 ZINC000372877605 530316096 /nfs/dbraw/zinc/31/60/96/530316096.db2.gz APWSZWYRYUBUCM-HNNXBMFYSA-N 2 2 398.595 -0.349 20 0 GBADLP CCS(=O)(=O)NCC[NH+](C)[C@@H]1CCC[N@@H+](CCNS(=O)(=O)CC)CC1 ZINC000372877608 530316150 /nfs/dbraw/zinc/31/61/50/530316150.db2.gz APWSZWYRYUBUCM-OAHLLOKOSA-N 2 2 398.595 -0.349 20 0 GBADLP CCS(=O)(=O)NCC[NH+](C)[C@@H]1CCC[N@H+](CCNS(=O)(=O)CC)CC1 ZINC000372877608 530316149 /nfs/dbraw/zinc/31/61/49/530316149.db2.gz APWSZWYRYUBUCM-OAHLLOKOSA-N 2 2 398.595 -0.349 20 0 GBADLP CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCC[NH+](CCNS(=O)(=O)CC)CC1 ZINC000372877608 530316148 /nfs/dbraw/zinc/31/61/48/530316148.db2.gz APWSZWYRYUBUCM-OAHLLOKOSA-N 2 2 398.595 -0.349 20 0 GBADLP CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCC[NH+](CCNS(=O)(=O)CC)CC1 ZINC000372877608 530316147 /nfs/dbraw/zinc/31/61/47/530316147.db2.gz APWSZWYRYUBUCM-OAHLLOKOSA-N 2 2 398.595 -0.349 20 0 GBADLP COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000373801731 530318160 /nfs/dbraw/zinc/31/81/60/530318160.db2.gz WKJGBYDOIMKTJL-HNNXBMFYSA-N 2 2 376.523 -0.867 20 0 GBADLP COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000373801731 530318158 /nfs/dbraw/zinc/31/81/58/530318158.db2.gz WKJGBYDOIMKTJL-HNNXBMFYSA-N 2 2 376.523 -0.867 20 0 GBADLP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000373801732 530318093 /nfs/dbraw/zinc/31/80/93/530318093.db2.gz WKJGBYDOIMKTJL-OAHLLOKOSA-N 2 2 376.523 -0.867 20 0 GBADLP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000373801732 530318090 /nfs/dbraw/zinc/31/80/90/530318090.db2.gz WKJGBYDOIMKTJL-OAHLLOKOSA-N 2 2 376.523 -0.867 20 0 GBADLP CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000374509125 530318911 /nfs/dbraw/zinc/31/89/11/530318911.db2.gz UWYXGXLDCPICKT-HNNXBMFYSA-N 2 2 375.539 -0.264 20 0 GBADLP CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000374509126 530319351 /nfs/dbraw/zinc/31/93/51/530319351.db2.gz UWYXGXLDCPICKT-OAHLLOKOSA-N 2 2 375.539 -0.264 20 0 GBADLP COCCCS(=O)(=O)NCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374799192 530319794 /nfs/dbraw/zinc/31/97/94/530319794.db2.gz IWSWCOYXFAVBEN-UHFFFAOYSA-N 2 2 379.523 -0.899 20 0 GBADLP CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000375738577 1072456363 /nfs/dbraw/zinc/45/63/63/1072456363.db2.gz PPRPRLVLJJAZLB-HNNXBMFYSA-N 2 2 387.550 -0.553 20 0 GBADLP CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000375738577 1072456360 /nfs/dbraw/zinc/45/63/60/1072456360.db2.gz PPRPRLVLJJAZLB-HNNXBMFYSA-N 2 2 387.550 -0.553 20 0 GBADLP CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000375738578 1072456447 /nfs/dbraw/zinc/45/64/47/1072456447.db2.gz PPRPRLVLJJAZLB-OAHLLOKOSA-N 2 2 387.550 -0.553 20 0 GBADLP CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000375738578 1072456445 /nfs/dbraw/zinc/45/64/45/1072456445.db2.gz PPRPRLVLJJAZLB-OAHLLOKOSA-N 2 2 387.550 -0.553 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956977 1072826887 /nfs/dbraw/zinc/82/68/87/1072826887.db2.gz FZGHWPFAZPKLNO-CVEARBPZSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC2)C1 ZINC000375956977 1072826879 /nfs/dbraw/zinc/82/68/79/1072826879.db2.gz FZGHWPFAZPKLNO-CVEARBPZSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956977 1072826869 /nfs/dbraw/zinc/82/68/69/1072826869.db2.gz FZGHWPFAZPKLNO-CVEARBPZSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC2)C1 ZINC000375956977 1072826861 /nfs/dbraw/zinc/82/68/61/1072826861.db2.gz FZGHWPFAZPKLNO-CVEARBPZSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956978 1072826497 /nfs/dbraw/zinc/82/64/97/1072826497.db2.gz FZGHWPFAZPKLNO-HOTGVXAUSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC2)C1 ZINC000375956978 1072826493 /nfs/dbraw/zinc/82/64/93/1072826493.db2.gz FZGHWPFAZPKLNO-HOTGVXAUSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956978 1072826483 /nfs/dbraw/zinc/82/64/83/1072826483.db2.gz FZGHWPFAZPKLNO-HOTGVXAUSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC2)C1 ZINC000375956978 1072826474 /nfs/dbraw/zinc/82/64/74/1072826474.db2.gz FZGHWPFAZPKLNO-HOTGVXAUSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956979 1072827077 /nfs/dbraw/zinc/82/70/77/1072827077.db2.gz FZGHWPFAZPKLNO-HZPDHXFCSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC2)C1 ZINC000375956979 1072827074 /nfs/dbraw/zinc/82/70/74/1072827074.db2.gz FZGHWPFAZPKLNO-HZPDHXFCSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956979 1072827071 /nfs/dbraw/zinc/82/70/71/1072827071.db2.gz FZGHWPFAZPKLNO-HZPDHXFCSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC2)C1 ZINC000375956979 1072827066 /nfs/dbraw/zinc/82/70/66/1072827066.db2.gz FZGHWPFAZPKLNO-HZPDHXFCSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956980 1072826421 /nfs/dbraw/zinc/82/64/21/1072826421.db2.gz FZGHWPFAZPKLNO-JKSUJKDBSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC2)C1 ZINC000375956980 1072826414 /nfs/dbraw/zinc/82/64/14/1072826414.db2.gz FZGHWPFAZPKLNO-JKSUJKDBSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956980 1072826402 /nfs/dbraw/zinc/82/64/02/1072826402.db2.gz FZGHWPFAZPKLNO-JKSUJKDBSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC2)C1 ZINC000375956980 1072826395 /nfs/dbraw/zinc/82/63/95/1072826395.db2.gz FZGHWPFAZPKLNO-JKSUJKDBSA-N 2 2 382.505 -0.417 20 0 GBADLP CC[NH+]1CCN([C@H]2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)C2)CC1 ZINC000376221103 1072922480 /nfs/dbraw/zinc/92/24/80/1072922480.db2.gz SWUXXRJAWJGJJZ-HNNXBMFYSA-N 2 2 378.525 -0.844 20 0 GBADLP CC[NH+]1CCN([C@@H]2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)C2)CC1 ZINC000376221104 1072922210 /nfs/dbraw/zinc/92/22/10/1072922210.db2.gz SWUXXRJAWJGJJZ-OAHLLOKOSA-N 2 2 378.525 -0.844 20 0 GBADLP COc1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)nc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000376432142 1072980590 /nfs/dbraw/zinc/98/05/90/1072980590.db2.gz CSMNFGWYCCBLIA-CVEARBPZSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000376432142 1072980586 /nfs/dbraw/zinc/98/05/86/1072980586.db2.gz CSMNFGWYCCBLIA-CVEARBPZSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[NH+]3CCOC[C@@H]3C2)nc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000376432142 1072980579 /nfs/dbraw/zinc/98/05/79/1072980579.db2.gz CSMNFGWYCCBLIA-CVEARBPZSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[NH+]3CCOC[C@@H]3C2)nc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000376432142 1072980572 /nfs/dbraw/zinc/98/05/72/1072980572.db2.gz CSMNFGWYCCBLIA-CVEARBPZSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)nc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000376432143 1072980756 /nfs/dbraw/zinc/98/07/56/1072980756.db2.gz CSMNFGWYCCBLIA-HOTGVXAUSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000376432143 1072980746 /nfs/dbraw/zinc/98/07/46/1072980746.db2.gz CSMNFGWYCCBLIA-HOTGVXAUSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[NH+]3CCOC[C@@H]3C2)nc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000376432143 1072980729 /nfs/dbraw/zinc/98/07/29/1072980729.db2.gz CSMNFGWYCCBLIA-HOTGVXAUSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[NH+]3CCOC[C@@H]3C2)nc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000376432143 1072980720 /nfs/dbraw/zinc/98/07/20/1072980720.db2.gz CSMNFGWYCCBLIA-HOTGVXAUSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[N@H+]3CCOC[C@H]3C2)nc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000376432144 1072980482 /nfs/dbraw/zinc/98/04/82/1072980482.db2.gz CSMNFGWYCCBLIA-HZPDHXFCSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)nc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000376432144 1072980478 /nfs/dbraw/zinc/98/04/78/1072980478.db2.gz CSMNFGWYCCBLIA-HZPDHXFCSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[NH+]3CCOC[C@H]3C2)nc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000376432144 1072980471 /nfs/dbraw/zinc/98/04/71/1072980471.db2.gz CSMNFGWYCCBLIA-HZPDHXFCSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[NH+]3CCOC[C@H]3C2)nc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000376432144 1072980466 /nfs/dbraw/zinc/98/04/66/1072980466.db2.gz CSMNFGWYCCBLIA-HZPDHXFCSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[N@H+]3CCOC[C@H]3C2)nc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000376432145 1072980526 /nfs/dbraw/zinc/98/05/26/1072980526.db2.gz CSMNFGWYCCBLIA-JKSUJKDBSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)nc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000376432145 1072980519 /nfs/dbraw/zinc/98/05/19/1072980519.db2.gz CSMNFGWYCCBLIA-JKSUJKDBSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[NH+]3CCOC[C@H]3C2)nc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000376432145 1072980511 /nfs/dbraw/zinc/98/05/11/1072980511.db2.gz CSMNFGWYCCBLIA-JKSUJKDBSA-N 2 2 390.488 -0.473 20 0 GBADLP COc1cnc(N2CC[NH+]3CCOC[C@H]3C2)nc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000376432145 1072980505 /nfs/dbraw/zinc/98/05/05/1072980505.db2.gz CSMNFGWYCCBLIA-JKSUJKDBSA-N 2 2 390.488 -0.473 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H](C)C2)C1 ZINC000376636490 1073084978 /nfs/dbraw/zinc/08/49/78/1073084978.db2.gz IKSHBRAKPDZCEU-BBWFWOEESA-N 2 2 382.505 -0.513 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H](C)C2)C1 ZINC000376636490 1073084968 /nfs/dbraw/zinc/08/49/68/1073084968.db2.gz IKSHBRAKPDZCEU-BBWFWOEESA-N 2 2 382.505 -0.513 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000376636490 1073084956 /nfs/dbraw/zinc/08/49/56/1073084956.db2.gz IKSHBRAKPDZCEU-BBWFWOEESA-N 2 2 382.505 -0.513 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000376636490 1073084946 /nfs/dbraw/zinc/08/49/46/1073084946.db2.gz IKSHBRAKPDZCEU-BBWFWOEESA-N 2 2 382.505 -0.513 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H](C)C2)C1 ZINC000376636491 1073085234 /nfs/dbraw/zinc/08/52/34/1073085234.db2.gz IKSHBRAKPDZCEU-GVDBMIGSSA-N 2 2 382.505 -0.513 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H](C)C2)C1 ZINC000376636491 1073085223 /nfs/dbraw/zinc/08/52/23/1073085223.db2.gz IKSHBRAKPDZCEU-GVDBMIGSSA-N 2 2 382.505 -0.513 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000376636491 1073085212 /nfs/dbraw/zinc/08/52/12/1073085212.db2.gz IKSHBRAKPDZCEU-GVDBMIGSSA-N 2 2 382.505 -0.513 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000376636491 1073085201 /nfs/dbraw/zinc/08/52/01/1073085201.db2.gz IKSHBRAKPDZCEU-GVDBMIGSSA-N 2 2 382.505 -0.513 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2)CC1 ZINC000376709897 1073102361 /nfs/dbraw/zinc/10/23/61/1073102361.db2.gz HALXPJJFOSJWAQ-RYQLBKOJSA-N 2 2 394.516 -0.323 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2)CC1 ZINC000376709897 1073102358 /nfs/dbraw/zinc/10/23/58/1073102358.db2.gz HALXPJJFOSJWAQ-RYQLBKOJSA-N 2 2 394.516 -0.323 20 0 GBADLP CNS(=O)(=O)C1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000376754465 1073114720 /nfs/dbraw/zinc/11/47/20/1073114720.db2.gz RYNHSWVCCCXMPB-HNNXBMFYSA-N 2 2 390.550 -0.527 20 0 GBADLP CNS(=O)(=O)C1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000376754465 1073114716 /nfs/dbraw/zinc/11/47/16/1073114716.db2.gz RYNHSWVCCCXMPB-HNNXBMFYSA-N 2 2 390.550 -0.527 20 0 GBADLP CNS(=O)(=O)C1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000376754466 1073114968 /nfs/dbraw/zinc/11/49/68/1073114968.db2.gz RYNHSWVCCCXMPB-OAHLLOKOSA-N 2 2 390.550 -0.527 20 0 GBADLP CNS(=O)(=O)C1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000376754466 1073114964 /nfs/dbraw/zinc/11/49/64/1073114964.db2.gz RYNHSWVCCCXMPB-OAHLLOKOSA-N 2 2 390.550 -0.527 20 0 GBADLP C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000376765652 1073114597 /nfs/dbraw/zinc/11/45/97/1073114597.db2.gz RPQDGLTUELGJKD-INIZCTEOSA-N 2 2 382.505 -0.606 20 0 GBADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000376765654 1073114776 /nfs/dbraw/zinc/11/47/76/1073114776.db2.gz RPQDGLTUELGJKD-MRXNPFEDSA-N 2 2 382.505 -0.606 20 0 GBADLP COC(=O)c1cn(CCNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000376967241 1073125158 /nfs/dbraw/zinc/12/51/58/1073125158.db2.gz JEFPJASHOYJBHB-HNNXBMFYSA-N 2 2 393.492 -0.125 20 0 GBADLP COC(=O)c1cn(CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000376967241 1073125150 /nfs/dbraw/zinc/12/51/50/1073125150.db2.gz JEFPJASHOYJBHB-HNNXBMFYSA-N 2 2 393.492 -0.125 20 0 GBADLP COC(=O)c1cn(CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000376967242 1073125284 /nfs/dbraw/zinc/12/52/84/1073125284.db2.gz JEFPJASHOYJBHB-OAHLLOKOSA-N 2 2 393.492 -0.125 20 0 GBADLP COC(=O)c1cn(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000376967242 1073125281 /nfs/dbraw/zinc/12/52/81/1073125281.db2.gz JEFPJASHOYJBHB-OAHLLOKOSA-N 2 2 393.492 -0.125 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000377036119 1073131029 /nfs/dbraw/zinc/13/10/29/1073131029.db2.gz WZRJNHFCUHVRDB-ZWKOTPCHSA-N 2 2 396.532 -0.123 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000377036119 1073131025 /nfs/dbraw/zinc/13/10/25/1073131025.db2.gz WZRJNHFCUHVRDB-ZWKOTPCHSA-N 2 2 396.532 -0.123 20 0 GBADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000377297690 1073148324 /nfs/dbraw/zinc/14/83/24/1073148324.db2.gz KUSIFYMMDZSMCL-GOSISDBHSA-N 2 2 395.548 -0.595 20 0 GBADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000377297690 1073148322 /nfs/dbraw/zinc/14/83/22/1073148322.db2.gz KUSIFYMMDZSMCL-GOSISDBHSA-N 2 2 395.548 -0.595 20 0 GBADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000377297691 1073148801 /nfs/dbraw/zinc/14/88/01/1073148801.db2.gz KUSIFYMMDZSMCL-SFHVURJKSA-N 2 2 395.548 -0.595 20 0 GBADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000377297691 1073148799 /nfs/dbraw/zinc/14/87/99/1073148799.db2.gz KUSIFYMMDZSMCL-SFHVURJKSA-N 2 2 395.548 -0.595 20 0 GBADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000377452352 1073181041 /nfs/dbraw/zinc/18/10/41/1073181041.db2.gz XNIUUCAOBAMGKL-UHFFFAOYSA-N 2 2 376.505 -0.136 20 0 GBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000377465874 1073182637 /nfs/dbraw/zinc/18/26/37/1073182637.db2.gz UKHRKUGASJWCEC-FGTMMUONSA-N 2 2 396.532 -0.217 20 0 GBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000377465874 1073182636 /nfs/dbraw/zinc/18/26/36/1073182636.db2.gz UKHRKUGASJWCEC-FGTMMUONSA-N 2 2 396.532 -0.217 20 0 GBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000377465875 1073182482 /nfs/dbraw/zinc/18/24/82/1073182482.db2.gz UKHRKUGASJWCEC-KSZLIROESA-N 2 2 396.532 -0.217 20 0 GBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000377465875 1073182479 /nfs/dbraw/zinc/18/24/79/1073182479.db2.gz UKHRKUGASJWCEC-KSZLIROESA-N 2 2 396.532 -0.217 20 0 GBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000377465876 1073182747 /nfs/dbraw/zinc/18/27/47/1073182747.db2.gz UKHRKUGASJWCEC-KURKYZTESA-N 2 2 396.532 -0.217 20 0 GBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000377465977 1073182423 /nfs/dbraw/zinc/18/24/23/1073182423.db2.gz UKHRKUGASJWCEC-KZNAEPCWSA-N 2 2 396.532 -0.217 20 0 GBADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377512028 1073194792 /nfs/dbraw/zinc/19/47/92/1073194792.db2.gz MXADBBMLTSMHRW-BRWVUGGUSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377512028 1073194789 /nfs/dbraw/zinc/19/47/89/1073194789.db2.gz MXADBBMLTSMHRW-BRWVUGGUSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377512032 1073194816 /nfs/dbraw/zinc/19/48/16/1073194816.db2.gz MXADBBMLTSMHRW-GVDBMIGSSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377512032 1073194814 /nfs/dbraw/zinc/19/48/14/1073194814.db2.gz MXADBBMLTSMHRW-GVDBMIGSSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377512034 1073194766 /nfs/dbraw/zinc/19/47/66/1073194766.db2.gz MXADBBMLTSMHRW-IXDOHACOSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377512034 1073194763 /nfs/dbraw/zinc/19/47/63/1073194763.db2.gz MXADBBMLTSMHRW-IXDOHACOSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377512036 1073195085 /nfs/dbraw/zinc/19/50/85/1073195085.db2.gz MXADBBMLTSMHRW-YESZJQIVSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377512036 1073195077 /nfs/dbraw/zinc/19/50/77/1073195077.db2.gz MXADBBMLTSMHRW-YESZJQIVSA-N 2 2 380.489 -0.854 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000377598098 1073200681 /nfs/dbraw/zinc/20/06/81/1073200681.db2.gz AJBUSCOTKTXISU-CYBMUJFWSA-N 2 2 386.460 -0.791 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000377598098 1073200673 /nfs/dbraw/zinc/20/06/73/1073200673.db2.gz AJBUSCOTKTXISU-CYBMUJFWSA-N 2 2 386.460 -0.791 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377598099 1073201207 /nfs/dbraw/zinc/20/12/07/1073201207.db2.gz AJBUSCOTKTXISU-ZDUSSCGKSA-N 2 2 386.460 -0.791 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377598099 1073201199 /nfs/dbraw/zinc/20/11/99/1073201199.db2.gz AJBUSCOTKTXISU-ZDUSSCGKSA-N 2 2 386.460 -0.791 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695562 530324630 /nfs/dbraw/zinc/32/46/30/530324630.db2.gz QOWJXNALZUWNIB-CABCVRRESA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695562 530324629 /nfs/dbraw/zinc/32/46/29/530324629.db2.gz QOWJXNALZUWNIB-CABCVRRESA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695562 530324628 /nfs/dbraw/zinc/32/46/28/530324628.db2.gz QOWJXNALZUWNIB-CABCVRRESA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695562 530324626 /nfs/dbraw/zinc/32/46/26/530324626.db2.gz QOWJXNALZUWNIB-CABCVRRESA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695639 530324765 /nfs/dbraw/zinc/32/47/65/530324765.db2.gz QOWJXNALZUWNIB-GJZGRUSLSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695639 530324764 /nfs/dbraw/zinc/32/47/64/530324764.db2.gz QOWJXNALZUWNIB-GJZGRUSLSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695639 530324762 /nfs/dbraw/zinc/32/47/62/530324762.db2.gz QOWJXNALZUWNIB-GJZGRUSLSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695639 530324761 /nfs/dbraw/zinc/32/47/61/530324761.db2.gz QOWJXNALZUWNIB-GJZGRUSLSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695640 530324920 /nfs/dbraw/zinc/32/49/20/530324920.db2.gz QOWJXNALZUWNIB-HUUCEWRRSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695640 530324917 /nfs/dbraw/zinc/32/49/17/530324917.db2.gz QOWJXNALZUWNIB-HUUCEWRRSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695640 530324916 /nfs/dbraw/zinc/32/49/16/530324916.db2.gz QOWJXNALZUWNIB-HUUCEWRRSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695640 530324913 /nfs/dbraw/zinc/32/49/13/530324913.db2.gz QOWJXNALZUWNIB-HUUCEWRRSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695641 530324837 /nfs/dbraw/zinc/32/48/37/530324837.db2.gz QOWJXNALZUWNIB-LSDHHAIUSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695641 530324835 /nfs/dbraw/zinc/32/48/35/530324835.db2.gz QOWJXNALZUWNIB-LSDHHAIUSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695641 530324834 /nfs/dbraw/zinc/32/48/34/530324834.db2.gz QOWJXNALZUWNIB-LSDHHAIUSA-N 2 2 376.523 -0.917 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695641 530324833 /nfs/dbraw/zinc/32/48/33/530324833.db2.gz QOWJXNALZUWNIB-LSDHHAIUSA-N 2 2 376.523 -0.917 20 0 GBADLP CS(=O)(=O)NCC[NH+]1CCCC2(CCC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC000377725497 530324638 /nfs/dbraw/zinc/32/46/38/530324638.db2.gz OEAUUKVHBNEASQ-UHFFFAOYSA-N 2 2 396.579 -0.737 20 0 GBADLP CS(=O)(=O)NCC[NH+]1CCCC2(CCC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC000377725497 530324636 /nfs/dbraw/zinc/32/46/36/530324636.db2.gz OEAUUKVHBNEASQ-UHFFFAOYSA-N 2 2 396.579 -0.737 20 0 GBADLP CC(C)(CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCOCC1 ZINC000377734435 1073211269 /nfs/dbraw/zinc/21/12/69/1073211269.db2.gz KICMRRHBTQNMHW-KRWDZBQOSA-N 2 2 383.537 -0.197 20 0 GBADLP CC(C)(CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCOCC1 ZINC000377734435 1073211264 /nfs/dbraw/zinc/21/12/64/1073211264.db2.gz KICMRRHBTQNMHW-KRWDZBQOSA-N 2 2 383.537 -0.197 20 0 GBADLP CC(C)(CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCOCC1 ZINC000377734436 1073211585 /nfs/dbraw/zinc/21/15/85/1073211585.db2.gz KICMRRHBTQNMHW-QGZVFWFLSA-N 2 2 383.537 -0.197 20 0 GBADLP CC(C)(CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCOCC1 ZINC000377734436 1073211579 /nfs/dbraw/zinc/21/15/79/1073211579.db2.gz KICMRRHBTQNMHW-QGZVFWFLSA-N 2 2 383.537 -0.197 20 0 GBADLP C[NH+]1CCC(CNC(=O)NCCNS(C)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000377907866 530325058 /nfs/dbraw/zinc/32/50/58/530325058.db2.gz OXXRFPZMFFHOFP-UHFFFAOYSA-N 2 2 375.539 -0.215 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000377952617 1073227012 /nfs/dbraw/zinc/22/70/12/1073227012.db2.gz KZBVQRIUFGCMDM-IKGGRYGDSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000377952617 1073227010 /nfs/dbraw/zinc/22/70/10/1073227010.db2.gz KZBVQRIUFGCMDM-IKGGRYGDSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000377952617 1073227006 /nfs/dbraw/zinc/22/70/06/1073227006.db2.gz KZBVQRIUFGCMDM-IKGGRYGDSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000377952617 1073227004 /nfs/dbraw/zinc/22/70/04/1073227004.db2.gz KZBVQRIUFGCMDM-IKGGRYGDSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000377952622 1073227522 /nfs/dbraw/zinc/22/75/22/1073227522.db2.gz KZBVQRIUFGCMDM-IXDOHACOSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000377952622 1073227514 /nfs/dbraw/zinc/22/75/14/1073227514.db2.gz KZBVQRIUFGCMDM-IXDOHACOSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000377952622 1073227512 /nfs/dbraw/zinc/22/75/12/1073227512.db2.gz KZBVQRIUFGCMDM-IXDOHACOSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000377952622 1073227506 /nfs/dbraw/zinc/22/75/06/1073227506.db2.gz KZBVQRIUFGCMDM-IXDOHACOSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000377952623 1073227108 /nfs/dbraw/zinc/22/71/08/1073227108.db2.gz KZBVQRIUFGCMDM-ULQDDVLXSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000377952623 1073227103 /nfs/dbraw/zinc/22/71/03/1073227103.db2.gz KZBVQRIUFGCMDM-ULQDDVLXSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000377952623 1073227099 /nfs/dbraw/zinc/22/70/99/1073227099.db2.gz KZBVQRIUFGCMDM-ULQDDVLXSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000377952623 1073227094 /nfs/dbraw/zinc/22/70/94/1073227094.db2.gz KZBVQRIUFGCMDM-ULQDDVLXSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000377952626 1073227594 /nfs/dbraw/zinc/22/75/94/1073227594.db2.gz KZBVQRIUFGCMDM-YESZJQIVSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000377952626 1073227583 /nfs/dbraw/zinc/22/75/83/1073227583.db2.gz KZBVQRIUFGCMDM-YESZJQIVSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)C)C1 ZINC000377952626 1073227581 /nfs/dbraw/zinc/22/75/81/1073227581.db2.gz KZBVQRIUFGCMDM-YESZJQIVSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)C)C1 ZINC000377952626 1073227573 /nfs/dbraw/zinc/22/75/73/1073227573.db2.gz KZBVQRIUFGCMDM-YESZJQIVSA-N 2 2 384.521 -0.315 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C2CC2)C1 ZINC000377966699 1073229629 /nfs/dbraw/zinc/22/96/29/1073229629.db2.gz VXDRYNAWGSGDFC-IKGGRYGDSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C2CC2)C1 ZINC000377966699 1073229624 /nfs/dbraw/zinc/22/96/24/1073229624.db2.gz VXDRYNAWGSGDFC-IKGGRYGDSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C2CC2)C1 ZINC000377966699 1073229619 /nfs/dbraw/zinc/22/96/19/1073229619.db2.gz VXDRYNAWGSGDFC-IKGGRYGDSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C2CC2)C1 ZINC000377966699 1073229613 /nfs/dbraw/zinc/22/96/13/1073229613.db2.gz VXDRYNAWGSGDFC-IKGGRYGDSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C2CC2)C1 ZINC000377966708 1073230054 /nfs/dbraw/zinc/23/00/54/1073230054.db2.gz VXDRYNAWGSGDFC-IXDOHACOSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C2CC2)C1 ZINC000377966708 1073230049 /nfs/dbraw/zinc/23/00/49/1073230049.db2.gz VXDRYNAWGSGDFC-IXDOHACOSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C2CC2)C1 ZINC000377966708 1073230047 /nfs/dbraw/zinc/23/00/47/1073230047.db2.gz VXDRYNAWGSGDFC-IXDOHACOSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C2CC2)C1 ZINC000377966708 1073230040 /nfs/dbraw/zinc/23/00/40/1073230040.db2.gz VXDRYNAWGSGDFC-IXDOHACOSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C2CC2)C1 ZINC000377966710 1073229660 /nfs/dbraw/zinc/22/96/60/1073229660.db2.gz VXDRYNAWGSGDFC-ULQDDVLXSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C2CC2)C1 ZINC000377966710 1073229657 /nfs/dbraw/zinc/22/96/57/1073229657.db2.gz VXDRYNAWGSGDFC-ULQDDVLXSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C2CC2)C1 ZINC000377966710 1073229654 /nfs/dbraw/zinc/22/96/54/1073229654.db2.gz VXDRYNAWGSGDFC-ULQDDVLXSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C2CC2)C1 ZINC000377966710 1073229652 /nfs/dbraw/zinc/22/96/52/1073229652.db2.gz VXDRYNAWGSGDFC-ULQDDVLXSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C2CC2)C1 ZINC000377966713 1073229926 /nfs/dbraw/zinc/22/99/26/1073229926.db2.gz VXDRYNAWGSGDFC-YESZJQIVSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C2CC2)C1 ZINC000377966713 1073229920 /nfs/dbraw/zinc/22/99/20/1073229920.db2.gz VXDRYNAWGSGDFC-YESZJQIVSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C2CC2)C1 ZINC000377966713 1073229913 /nfs/dbraw/zinc/22/99/13/1073229913.db2.gz VXDRYNAWGSGDFC-YESZJQIVSA-N 2 2 382.505 -0.561 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C2CC2)C1 ZINC000377966713 1073229904 /nfs/dbraw/zinc/22/99/04/1073229904.db2.gz VXDRYNAWGSGDFC-YESZJQIVSA-N 2 2 382.505 -0.561 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000378215308 1073249271 /nfs/dbraw/zinc/24/92/71/1073249271.db2.gz VBVNSNBLAPUVAZ-KRWDZBQOSA-N 2 2 390.488 -0.150 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000378215308 1073249265 /nfs/dbraw/zinc/24/92/65/1073249265.db2.gz VBVNSNBLAPUVAZ-KRWDZBQOSA-N 2 2 390.488 -0.150 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000378215309 1073249104 /nfs/dbraw/zinc/24/91/04/1073249104.db2.gz VBVNSNBLAPUVAZ-QGZVFWFLSA-N 2 2 390.488 -0.150 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000378215309 1073249102 /nfs/dbraw/zinc/24/91/02/1073249102.db2.gz VBVNSNBLAPUVAZ-QGZVFWFLSA-N 2 2 390.488 -0.150 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000378219357 1073248989 /nfs/dbraw/zinc/24/89/89/1073248989.db2.gz UJKZIBCPEJUWDP-KRWDZBQOSA-N 2 2 390.488 -0.150 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000378219847 1073249068 /nfs/dbraw/zinc/24/90/68/1073249068.db2.gz UJKZIBCPEJUWDP-QGZVFWFLSA-N 2 2 390.488 -0.150 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)S(C)(=O)=O ZINC000378247378 1073252040 /nfs/dbraw/zinc/25/20/40/1073252040.db2.gz LCUKAZLRNPOYKR-BZUAXINKSA-N 2 2 390.550 -0.432 20 0 GBADLP CN(CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)S(C)(=O)=O ZINC000378247378 1073252036 /nfs/dbraw/zinc/25/20/36/1073252036.db2.gz LCUKAZLRNPOYKR-BZUAXINKSA-N 2 2 390.550 -0.432 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)S(C)(=O)=O ZINC000378247385 1073252254 /nfs/dbraw/zinc/25/22/54/1073252254.db2.gz LCUKAZLRNPOYKR-OAGGEKHMSA-N 2 2 390.550 -0.432 20 0 GBADLP CN(CCCNC(=O)C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)S(C)(=O)=O ZINC000378247385 1073252251 /nfs/dbraw/zinc/25/22/51/1073252251.db2.gz LCUKAZLRNPOYKR-OAGGEKHMSA-N 2 2 390.550 -0.432 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)S(C)(=O)=O ZINC000378247387 1073252287 /nfs/dbraw/zinc/25/22/87/1073252287.db2.gz LCUKAZLRNPOYKR-OWCLPIDISA-N 2 2 390.550 -0.432 20 0 GBADLP CN(CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)S(C)(=O)=O ZINC000378247387 1073252283 /nfs/dbraw/zinc/25/22/83/1073252283.db2.gz LCUKAZLRNPOYKR-OWCLPIDISA-N 2 2 390.550 -0.432 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21)S(C)(=O)=O ZINC000378247389 1073252093 /nfs/dbraw/zinc/25/20/93/1073252093.db2.gz LCUKAZLRNPOYKR-PMPSAXMXSA-N 2 2 390.550 -0.432 20 0 GBADLP CN(CCCNC(=O)C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21)S(C)(=O)=O ZINC000378247389 1073252090 /nfs/dbraw/zinc/25/20/90/1073252090.db2.gz LCUKAZLRNPOYKR-PMPSAXMXSA-N 2 2 390.550 -0.432 20 0 GBADLP O=C(CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000378310357 1073256684 /nfs/dbraw/zinc/25/66/84/1073256684.db2.gz CHIXKWWQSSMANI-KRWDZBQOSA-N 2 2 386.500 -0.374 20 0 GBADLP O=C(CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000378310357 1073256679 /nfs/dbraw/zinc/25/66/79/1073256679.db2.gz CHIXKWWQSSMANI-KRWDZBQOSA-N 2 2 386.500 -0.374 20 0 GBADLP O=C(CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000378310367 1073256994 /nfs/dbraw/zinc/25/69/94/1073256994.db2.gz CHIXKWWQSSMANI-QGZVFWFLSA-N 2 2 386.500 -0.374 20 0 GBADLP O=C(CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000378310367 1073256985 /nfs/dbraw/zinc/25/69/85/1073256985.db2.gz CHIXKWWQSSMANI-QGZVFWFLSA-N 2 2 386.500 -0.374 20 0 GBADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000378435731 1073265817 /nfs/dbraw/zinc/26/58/17/1073265817.db2.gz XSGPDKDYLNTTMR-UHFFFAOYSA-N 2 2 398.504 -0.554 20 0 GBADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000378441532 1073266852 /nfs/dbraw/zinc/26/68/52/1073266852.db2.gz HLYKNTVSTKACES-GOSISDBHSA-N 2 2 396.532 -0.073 20 0 GBADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000378441533 1073266646 /nfs/dbraw/zinc/26/66/46/1073266646.db2.gz HLYKNTVSTKACES-SFHVURJKSA-N 2 2 396.532 -0.073 20 0 GBADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000378488507 1073269824 /nfs/dbraw/zinc/26/98/24/1073269824.db2.gz BDWNLVMIMMTPAS-DOTOQJQBSA-N 2 2 390.488 -0.294 20 0 GBADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000378488507 1073269818 /nfs/dbraw/zinc/26/98/18/1073269818.db2.gz BDWNLVMIMMTPAS-DOTOQJQBSA-N 2 2 390.488 -0.294 20 0 GBADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000378488509 1073269516 /nfs/dbraw/zinc/26/95/16/1073269516.db2.gz BDWNLVMIMMTPAS-NVXWUHKLSA-N 2 2 390.488 -0.294 20 0 GBADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000378488509 1073269514 /nfs/dbraw/zinc/26/95/14/1073269514.db2.gz BDWNLVMIMMTPAS-NVXWUHKLSA-N 2 2 390.488 -0.294 20 0 GBADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000378488510 1073269638 /nfs/dbraw/zinc/26/96/38/1073269638.db2.gz BDWNLVMIMMTPAS-RDJZCZTQSA-N 2 2 390.488 -0.294 20 0 GBADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000378488510 1073269631 /nfs/dbraw/zinc/26/96/31/1073269631.db2.gz BDWNLVMIMMTPAS-RDJZCZTQSA-N 2 2 390.488 -0.294 20 0 GBADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000378488511 1073269951 /nfs/dbraw/zinc/26/99/51/1073269951.db2.gz BDWNLVMIMMTPAS-WBVHZDCISA-N 2 2 390.488 -0.294 20 0 GBADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000378488511 1073269945 /nfs/dbraw/zinc/26/99/45/1073269945.db2.gz BDWNLVMIMMTPAS-WBVHZDCISA-N 2 2 390.488 -0.294 20 0 GBADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378532189 1073272335 /nfs/dbraw/zinc/27/23/35/1073272335.db2.gz JKKUYFQVBCNWKF-GFCCVEGCSA-N 2 2 396.410 -0.078 20 0 GBADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378532194 1073272554 /nfs/dbraw/zinc/27/25/54/1073272554.db2.gz JKKUYFQVBCNWKF-LBPRGKRZSA-N 2 2 396.410 -0.078 20 0 GBADLP Cc1cc(N2CC[C@H]([NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)C2=O)n(C)n1 ZINC000378535542 1073273990 /nfs/dbraw/zinc/27/39/90/1073273990.db2.gz RTIGJLYDVLABEK-INIZCTEOSA-N 2 2 377.489 -0.007 20 0 GBADLP Cc1cc(N2CC[C@@H]([NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)C2=O)n(C)n1 ZINC000378535543 1073273962 /nfs/dbraw/zinc/27/39/62/1073273962.db2.gz RTIGJLYDVLABEK-MRXNPFEDSA-N 2 2 377.489 -0.007 20 0 GBADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408038186 1073144706 /nfs/dbraw/zinc/14/47/06/1073144706.db2.gz JOEZDUFQPBGBDR-HNNXBMFYSA-N 2 2 389.566 -0.211 20 0 GBADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408038187 1073144977 /nfs/dbraw/zinc/14/49/77/1073144977.db2.gz JOEZDUFQPBGBDR-OAHLLOKOSA-N 2 2 389.566 -0.211 20 0 GBADLP CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000408247174 530191907 /nfs/dbraw/zinc/19/19/07/530191907.db2.gz SOAKJZJXFBUWLB-HNNXBMFYSA-N 2 2 375.539 -0.791 20 0 GBADLP C[NH+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000408281004 530193438 /nfs/dbraw/zinc/19/34/38/530193438.db2.gz RVWILSCARBCHSH-UHFFFAOYSA-N 2 2 396.579 -0.689 20 0 GBADLP C[NH+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000408281004 530193435 /nfs/dbraw/zinc/19/34/35/530193435.db2.gz RVWILSCARBCHSH-UHFFFAOYSA-N 2 2 396.579 -0.689 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000410558460 1072892670 /nfs/dbraw/zinc/89/26/70/1072892670.db2.gz BOIRWVYAYAJFDD-INIZCTEOSA-N 2 2 382.505 -0.918 20 0 GBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000410558462 1072892790 /nfs/dbraw/zinc/89/27/90/1072892790.db2.gz BOIRWVYAYAJFDD-MRXNPFEDSA-N 2 2 382.505 -0.918 20 0 GBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000410694840 1073804131 /nfs/dbraw/zinc/80/41/31/1073804131.db2.gz DKBVDMRKCTUYSI-INIZCTEOSA-N 2 2 381.521 -0.593 20 0 GBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000410694840 1073804118 /nfs/dbraw/zinc/80/41/18/1073804118.db2.gz DKBVDMRKCTUYSI-INIZCTEOSA-N 2 2 381.521 -0.593 20 0 GBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000410694841 1073804066 /nfs/dbraw/zinc/80/40/66/1073804066.db2.gz DKBVDMRKCTUYSI-MRXNPFEDSA-N 2 2 381.521 -0.593 20 0 GBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000410694841 1073804049 /nfs/dbraw/zinc/80/40/49/1073804049.db2.gz DKBVDMRKCTUYSI-MRXNPFEDSA-N 2 2 381.521 -0.593 20 0 GBADLP CCN1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)C1=O ZINC000410716409 1073812130 /nfs/dbraw/zinc/81/21/30/1073812130.db2.gz RYLPKIYVJBGUAM-HNNXBMFYSA-N 2 2 381.521 -0.450 20 0 GBADLP CCN1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)C1=O ZINC000410716409 1073812121 /nfs/dbraw/zinc/81/21/21/1073812121.db2.gz RYLPKIYVJBGUAM-HNNXBMFYSA-N 2 2 381.521 -0.450 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000410845740 1073844036 /nfs/dbraw/zinc/84/40/36/1073844036.db2.gz GGHIRNQHXVWRNF-QGZVFWFLSA-N 2 2 399.580 -0.368 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000410845740 1073844019 /nfs/dbraw/zinc/84/40/19/1073844019.db2.gz GGHIRNQHXVWRNF-QGZVFWFLSA-N 2 2 399.580 -0.368 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[NH+]1CC(C)(C)O ZINC000410845740 1073844012 /nfs/dbraw/zinc/84/40/12/1073844012.db2.gz GGHIRNQHXVWRNF-QGZVFWFLSA-N 2 2 399.580 -0.368 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[NH+]1CC(C)(C)O ZINC000410845740 1073844005 /nfs/dbraw/zinc/84/40/05/1073844005.db2.gz GGHIRNQHXVWRNF-QGZVFWFLSA-N 2 2 399.580 -0.368 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC[N@H+]1CC(C)(C)O ZINC000410845740 1073843988 /nfs/dbraw/zinc/84/39/88/1073843988.db2.gz GGHIRNQHXVWRNF-QGZVFWFLSA-N 2 2 399.580 -0.368 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC[N@@H+]1CC(C)(C)O ZINC000410845740 1073843981 /nfs/dbraw/zinc/84/39/81/1073843981.db2.gz GGHIRNQHXVWRNF-QGZVFWFLSA-N 2 2 399.580 -0.368 20 0 GBADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000410848774 1073844533 /nfs/dbraw/zinc/84/45/33/1073844533.db2.gz ZYBXEJPXQSFLSB-IAGOWNOFSA-N 2 2 384.521 -0.529 20 0 GBADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000410849338 1073843510 /nfs/dbraw/zinc/84/35/10/1073843510.db2.gz VTVGJEUFAMKZFY-CALCHBBNSA-N 2 2 396.532 -0.123 20 0 GBADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000410849338 1073843502 /nfs/dbraw/zinc/84/35/02/1073843502.db2.gz VTVGJEUFAMKZFY-CALCHBBNSA-N 2 2 396.532 -0.123 20 0 GBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000410849339 1073843544 /nfs/dbraw/zinc/84/35/44/1073843544.db2.gz VTVGJEUFAMKZFY-IAGOWNOFSA-N 2 2 396.532 -0.123 20 0 GBADLP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000410849340 1073844076 /nfs/dbraw/zinc/84/40/76/1073844076.db2.gz VTVGJEUFAMKZFY-IRXDYDNUSA-N 2 2 396.532 -0.123 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000410849484 1073843407 /nfs/dbraw/zinc/84/34/07/1073843407.db2.gz WXRPDVLPXBXSIJ-OAGGEKHMSA-N 2 2 384.521 -0.797 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000410849484 1073843399 /nfs/dbraw/zinc/84/33/99/1073843399.db2.gz WXRPDVLPXBXSIJ-OAGGEKHMSA-N 2 2 384.521 -0.797 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410849484 1073843390 /nfs/dbraw/zinc/84/33/90/1073843390.db2.gz WXRPDVLPXBXSIJ-OAGGEKHMSA-N 2 2 384.521 -0.797 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@H](C)[NH+]1CCO ZINC000410849484 1073843383 /nfs/dbraw/zinc/84/33/83/1073843383.db2.gz WXRPDVLPXBXSIJ-OAGGEKHMSA-N 2 2 384.521 -0.797 20 0 GBADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000410914446 1073851606 /nfs/dbraw/zinc/85/16/06/1073851606.db2.gz KVCIQBLFJMBCRC-KRWDZBQOSA-N 2 2 398.548 -0.139 20 0 GBADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000410914449 1073850868 /nfs/dbraw/zinc/85/08/68/1073850868.db2.gz KVCIQBLFJMBCRC-QGZVFWFLSA-N 2 2 398.548 -0.139 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000410938366 1073853584 /nfs/dbraw/zinc/85/35/84/1073853584.db2.gz OGBRYEIZJSUUNN-HZPDHXFCSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000410938366 1073853580 /nfs/dbraw/zinc/85/35/80/1073853580.db2.gz OGBRYEIZJSUUNN-HZPDHXFCSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000410938366 1073853573 /nfs/dbraw/zinc/85/35/73/1073853573.db2.gz OGBRYEIZJSUUNN-HZPDHXFCSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000410938366 1073853564 /nfs/dbraw/zinc/85/35/64/1073853564.db2.gz OGBRYEIZJSUUNN-HZPDHXFCSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000410938367 1073853265 /nfs/dbraw/zinc/85/32/65/1073853265.db2.gz OGBRYEIZJSUUNN-JKSUJKDBSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000410938367 1073853252 /nfs/dbraw/zinc/85/32/52/1073853252.db2.gz OGBRYEIZJSUUNN-JKSUJKDBSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000410938367 1073853239 /nfs/dbraw/zinc/85/32/39/1073853239.db2.gz OGBRYEIZJSUUNN-JKSUJKDBSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000410938367 1073853227 /nfs/dbraw/zinc/85/32/27/1073853227.db2.gz OGBRYEIZJSUUNN-JKSUJKDBSA-N 2 2 382.505 -0.118 20 0 GBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410938619 1073853857 /nfs/dbraw/zinc/85/38/57/1073853857.db2.gz OXUIMBIZNCNBNV-HZPDHXFCSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410938619 1073853849 /nfs/dbraw/zinc/85/38/49/1073853849.db2.gz OXUIMBIZNCNBNV-HZPDHXFCSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410938619 1073853839 /nfs/dbraw/zinc/85/38/39/1073853839.db2.gz OXUIMBIZNCNBNV-HZPDHXFCSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410938619 1073853829 /nfs/dbraw/zinc/85/38/29/1073853829.db2.gz OXUIMBIZNCNBNV-HZPDHXFCSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410938620 1073854196 /nfs/dbraw/zinc/85/41/96/1073854196.db2.gz OXUIMBIZNCNBNV-JKSUJKDBSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410938620 1073854187 /nfs/dbraw/zinc/85/41/87/1073854187.db2.gz OXUIMBIZNCNBNV-JKSUJKDBSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000410938620 1073854180 /nfs/dbraw/zinc/85/41/80/1073854180.db2.gz OXUIMBIZNCNBNV-JKSUJKDBSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000410938620 1073854175 /nfs/dbraw/zinc/85/41/75/1073854175.db2.gz OXUIMBIZNCNBNV-JKSUJKDBSA-N 2 2 398.548 -0.406 20 0 GBADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939151 1073854307 /nfs/dbraw/zinc/85/43/07/1073854307.db2.gz RFUUAJRSHWTYSM-HOTGVXAUSA-N 2 2 382.505 -0.118 20 0 GBADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939151 1073854300 /nfs/dbraw/zinc/85/43/00/1073854300.db2.gz RFUUAJRSHWTYSM-HOTGVXAUSA-N 2 2 382.505 -0.118 20 0 GBADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939151 1073854293 /nfs/dbraw/zinc/85/42/93/1073854293.db2.gz RFUUAJRSHWTYSM-HOTGVXAUSA-N 2 2 382.505 -0.118 20 0 GBADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939151 1073854286 /nfs/dbraw/zinc/85/42/86/1073854286.db2.gz RFUUAJRSHWTYSM-HOTGVXAUSA-N 2 2 382.505 -0.118 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410939234 1073854087 /nfs/dbraw/zinc/85/40/87/1073854087.db2.gz RWDWTGSDDRBIHQ-IAGOWNOFSA-N 2 2 396.532 -0.529 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410939234 1073854081 /nfs/dbraw/zinc/85/40/81/1073854081.db2.gz RWDWTGSDDRBIHQ-IAGOWNOFSA-N 2 2 396.532 -0.529 20 0 GBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410939235 1073853730 /nfs/dbraw/zinc/85/37/30/1073853730.db2.gz RWDWTGSDDRBIHQ-IRXDYDNUSA-N 2 2 396.532 -0.529 20 0 GBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410939235 1073853717 /nfs/dbraw/zinc/85/37/17/1073853717.db2.gz RWDWTGSDDRBIHQ-IRXDYDNUSA-N 2 2 396.532 -0.529 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410939236 1073854576 /nfs/dbraw/zinc/85/45/76/1073854576.db2.gz RWDWTGSDDRBIHQ-SJORKVTESA-N 2 2 396.532 -0.529 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410939236 1073854566 /nfs/dbraw/zinc/85/45/66/1073854566.db2.gz RWDWTGSDDRBIHQ-SJORKVTESA-N 2 2 396.532 -0.529 20 0 GBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410939266 1073854032 /nfs/dbraw/zinc/85/40/32/1073854032.db2.gz SFZRPRAEOXVUBJ-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410939266 1073854021 /nfs/dbraw/zinc/85/40/21/1073854021.db2.gz SFZRPRAEOXVUBJ-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410939267 1073854386 /nfs/dbraw/zinc/85/43/86/1073854386.db2.gz SFZRPRAEOXVUBJ-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000410939267 1073854379 /nfs/dbraw/zinc/85/43/79/1073854379.db2.gz SFZRPRAEOXVUBJ-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000410939979 1073855946 /nfs/dbraw/zinc/85/59/46/1073855946.db2.gz XWQPGKMTHWLTHM-HNNXBMFYSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000410939979 1073855936 /nfs/dbraw/zinc/85/59/36/1073855936.db2.gz XWQPGKMTHWLTHM-HNNXBMFYSA-N 2 2 382.505 -0.118 20 0 GBADLP CCCN1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000410940005 1073855784 /nfs/dbraw/zinc/85/57/84/1073855784.db2.gz YCHQXHXQYSQMTK-UHFFFAOYSA-N 2 2 395.548 -0.058 20 0 GBADLP CCCN1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000410940005 1073855765 /nfs/dbraw/zinc/85/57/65/1073855765.db2.gz YCHQXHXQYSQMTK-UHFFFAOYSA-N 2 2 395.548 -0.058 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000410960839 1073858963 /nfs/dbraw/zinc/85/89/63/1073858963.db2.gz YLZYYWXOZVJHSW-INIZCTEOSA-N 2 2 386.562 -0.203 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000410960839 1073858951 /nfs/dbraw/zinc/85/89/51/1073858951.db2.gz YLZYYWXOZVJHSW-INIZCTEOSA-N 2 2 386.562 -0.203 20 0 GBADLP C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000411004932 1073861202 /nfs/dbraw/zinc/86/12/02/1073861202.db2.gz WWHFVTUJTSQKRN-DOTOQJQBSA-N 2 2 384.521 -0.531 20 0 GBADLP C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000411004932 1073861192 /nfs/dbraw/zinc/86/11/92/1073861192.db2.gz WWHFVTUJTSQKRN-DOTOQJQBSA-N 2 2 384.521 -0.531 20 0 GBADLP C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000411004933 1073861522 /nfs/dbraw/zinc/86/15/22/1073861522.db2.gz WWHFVTUJTSQKRN-NVXWUHKLSA-N 2 2 384.521 -0.531 20 0 GBADLP C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000411004933 1073861509 /nfs/dbraw/zinc/86/15/09/1073861509.db2.gz WWHFVTUJTSQKRN-NVXWUHKLSA-N 2 2 384.521 -0.531 20 0 GBADLP CCCNC(=O)CCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000411164892 530208055 /nfs/dbraw/zinc/20/80/55/530208055.db2.gz NJEJWMJOHRLMDT-UHFFFAOYSA-N 2 2 375.539 -0.597 20 0 GBADLP C[C@@H](O)C(=O)N1CC[NH+](CC[C@@H](C)CC[NH+]2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC000411414328 1073878588 /nfs/dbraw/zinc/87/85/88/1073878588.db2.gz ADRHWLLWIRCSSN-NNZMDNLPSA-N 2 2 398.548 -0.547 20 0 GBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000411755984 530209316 /nfs/dbraw/zinc/20/93/16/530209316.db2.gz ZOZWWMLRLLHRIJ-HNNXBMFYSA-N 2 2 375.539 -0.647 20 0 GBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000411755984 530209314 /nfs/dbraw/zinc/20/93/14/530209314.db2.gz ZOZWWMLRLLHRIJ-HNNXBMFYSA-N 2 2 375.539 -0.647 20 0 GBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000411755987 530209478 /nfs/dbraw/zinc/20/94/78/530209478.db2.gz ZOZWWMLRLLHRIJ-OAHLLOKOSA-N 2 2 375.539 -0.647 20 0 GBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000411755987 530209477 /nfs/dbraw/zinc/20/94/77/530209477.db2.gz ZOZWWMLRLLHRIJ-OAHLLOKOSA-N 2 2 375.539 -0.647 20 0 GBADLP COC(=O)[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+](C)C1 ZINC000413613193 1072794865 /nfs/dbraw/zinc/79/48/65/1072794865.db2.gz VBEMJRCLEQHLNN-INIZCTEOSA-N 2 2 398.504 -0.386 20 0 GBADLP COC(=O)[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+](C)C1 ZINC000413613193 1072794854 /nfs/dbraw/zinc/79/48/54/1072794854.db2.gz VBEMJRCLEQHLNN-INIZCTEOSA-N 2 2 398.504 -0.386 20 0 GBADLP COC(=O)[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+](C)C1 ZINC000413613204 1072795327 /nfs/dbraw/zinc/79/53/27/1072795327.db2.gz VBEMJRCLEQHLNN-MRXNPFEDSA-N 2 2 398.504 -0.386 20 0 GBADLP COC(=O)[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+](C)C1 ZINC000413613204 1072795324 /nfs/dbraw/zinc/79/53/24/1072795324.db2.gz VBEMJRCLEQHLNN-MRXNPFEDSA-N 2 2 398.504 -0.386 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000414582037 1073102371 /nfs/dbraw/zinc/10/23/71/1073102371.db2.gz DIMAHXOINRTYPE-UHFFFAOYSA-N 2 2 398.548 -0.018 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000414582503 1073102591 /nfs/dbraw/zinc/10/25/91/1073102591.db2.gz DUIKNCDRPKWIFR-UHFFFAOYSA-N 2 2 384.521 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000414597549 1073107033 /nfs/dbraw/zinc/10/70/33/1073107033.db2.gz JHYWNUZHFOYVIB-KRWDZBQOSA-N 2 2 396.532 -0.264 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000414597551 1073107027 /nfs/dbraw/zinc/10/70/27/1073107027.db2.gz JHYWNUZHFOYVIB-QGZVFWFLSA-N 2 2 396.532 -0.264 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000414597682 1073107131 /nfs/dbraw/zinc/10/71/31/1073107131.db2.gz JQGBGMGQQLBZMG-KRWDZBQOSA-N 2 2 396.532 -0.121 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000414597687 1073108041 /nfs/dbraw/zinc/10/80/41/1073108041.db2.gz JQGBGMGQQLBZMG-QGZVFWFLSA-N 2 2 396.532 -0.121 20 0 GBADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414597900 1073107700 /nfs/dbraw/zinc/10/77/00/1073107700.db2.gz JYFLWQZQOKCLPP-INIZCTEOSA-N 2 2 384.521 -0.265 20 0 GBADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414597901 1073107938 /nfs/dbraw/zinc/10/79/38/1073107938.db2.gz JYFLWQZQOKCLPP-MRXNPFEDSA-N 2 2 384.521 -0.265 20 0 GBADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414598563 1073107862 /nfs/dbraw/zinc/10/78/62/1073107862.db2.gz LEOSQBQZIAZSCV-KRWDZBQOSA-N 2 2 398.548 -0.018 20 0 GBADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414598563 1073107858 /nfs/dbraw/zinc/10/78/58/1073107858.db2.gz LEOSQBQZIAZSCV-KRWDZBQOSA-N 2 2 398.548 -0.018 20 0 GBADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414598564 1073107978 /nfs/dbraw/zinc/10/79/78/1073107978.db2.gz LEOSQBQZIAZSCV-QGZVFWFLSA-N 2 2 398.548 -0.018 20 0 GBADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414598564 1073107973 /nfs/dbraw/zinc/10/79/73/1073107973.db2.gz LEOSQBQZIAZSCV-QGZVFWFLSA-N 2 2 398.548 -0.018 20 0 GBADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414598935 1073108003 /nfs/dbraw/zinc/10/80/03/1073108003.db2.gz LWPCDLQBDKFPIZ-INIZCTEOSA-N 2 2 384.521 -0.408 20 0 GBADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414598935 1073107997 /nfs/dbraw/zinc/10/79/97/1073107997.db2.gz LWPCDLQBDKFPIZ-INIZCTEOSA-N 2 2 384.521 -0.408 20 0 GBADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414598938 1073107911 /nfs/dbraw/zinc/10/79/11/1073107911.db2.gz LWPCDLQBDKFPIZ-MRXNPFEDSA-N 2 2 384.521 -0.408 20 0 GBADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414598938 1073107909 /nfs/dbraw/zinc/10/79/09/1073107909.db2.gz LWPCDLQBDKFPIZ-MRXNPFEDSA-N 2 2 384.521 -0.408 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000414599599 1073108451 /nfs/dbraw/zinc/10/84/51/1073108451.db2.gz NBIZWYUIZOBTOK-UHFFFAOYSA-N 2 2 396.532 -0.121 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000414599702 1073108801 /nfs/dbraw/zinc/10/88/01/1073108801.db2.gz NDDWTSKUEDGRMY-AEFFLSMTSA-N 2 2 396.532 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000414599702 1073108798 /nfs/dbraw/zinc/10/87/98/1073108798.db2.gz NDDWTSKUEDGRMY-AEFFLSMTSA-N 2 2 396.532 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000414599704 1073108881 /nfs/dbraw/zinc/10/88/81/1073108881.db2.gz NDDWTSKUEDGRMY-FUHWJXTLSA-N 2 2 396.532 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000414599704 1073108878 /nfs/dbraw/zinc/10/88/78/1073108878.db2.gz NDDWTSKUEDGRMY-FUHWJXTLSA-N 2 2 396.532 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000414599706 1073108754 /nfs/dbraw/zinc/10/87/54/1073108754.db2.gz NDDWTSKUEDGRMY-SJLPKXTDSA-N 2 2 396.532 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000414599706 1073108751 /nfs/dbraw/zinc/10/87/51/1073108751.db2.gz NDDWTSKUEDGRMY-SJLPKXTDSA-N 2 2 396.532 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000414599707 1073108739 /nfs/dbraw/zinc/10/87/39/1073108739.db2.gz NDDWTSKUEDGRMY-WMZOPIPTSA-N 2 2 396.532 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000414599707 1073108737 /nfs/dbraw/zinc/10/87/37/1073108737.db2.gz NDDWTSKUEDGRMY-WMZOPIPTSA-N 2 2 396.532 -0.265 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000414600349 1073109541 /nfs/dbraw/zinc/10/95/41/1073109541.db2.gz PADWIVPKHWPMKB-IBGZPJMESA-N 2 2 382.505 -0.654 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000414600349 1073109539 /nfs/dbraw/zinc/10/95/39/1073109539.db2.gz PADWIVPKHWPMKB-IBGZPJMESA-N 2 2 382.505 -0.654 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000414600350 1073109324 /nfs/dbraw/zinc/10/93/24/1073109324.db2.gz PADWIVPKHWPMKB-LJQANCHMSA-N 2 2 382.505 -0.654 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000414600350 1073109322 /nfs/dbraw/zinc/10/93/22/1073109322.db2.gz PADWIVPKHWPMKB-LJQANCHMSA-N 2 2 382.505 -0.654 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000414600843 1073109602 /nfs/dbraw/zinc/10/96/02/1073109602.db2.gz QLDNCLVEWZNQIE-UHFFFAOYSA-N 2 2 384.521 -0.408 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000414601348 1073103497 /nfs/dbraw/zinc/10/34/97/1073103497.db2.gz RXEIGECJBBIVLY-KRWDZBQOSA-N 2 2 396.532 -0.121 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000414601349 1073103433 /nfs/dbraw/zinc/10/34/33/1073103433.db2.gz RXEIGECJBBIVLY-QGZVFWFLSA-N 2 2 396.532 -0.121 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000414602264 1073103488 /nfs/dbraw/zinc/10/34/88/1073103488.db2.gz UXODUWCRMWKITF-FQEVSTJZSA-N 2 2 396.532 -0.264 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000414602264 1073103485 /nfs/dbraw/zinc/10/34/85/1073103485.db2.gz UXODUWCRMWKITF-FQEVSTJZSA-N 2 2 396.532 -0.264 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000414602265 1073103535 /nfs/dbraw/zinc/10/35/35/1073103535.db2.gz UXODUWCRMWKITF-HXUWFJFHSA-N 2 2 396.532 -0.264 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000414602265 1073103533 /nfs/dbraw/zinc/10/35/33/1073103533.db2.gz UXODUWCRMWKITF-HXUWFJFHSA-N 2 2 396.532 -0.264 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000414603641 1073103919 /nfs/dbraw/zinc/10/39/19/1073103919.db2.gz YDXIIPRGFLAYFV-UHFFFAOYSA-N 2 2 384.521 -0.264 20 0 GBADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000414705473 1072480944 /nfs/dbraw/zinc/48/09/44/1072480944.db2.gz KHFVGBPNSKPDQP-UHFFFAOYSA-N 2 2 375.473 -0.317 20 0 GBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000415284927 1073175172 /nfs/dbraw/zinc/17/51/72/1073175172.db2.gz QGEUWWCNUINSAG-UHFFFAOYSA-N 2 2 387.484 -0.237 20 0 GBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000415349838 1073194506 /nfs/dbraw/zinc/19/45/06/1073194506.db2.gz YABJJRDDHDBNNE-HNNXBMFYSA-N 2 2 387.484 -0.238 20 0 GBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000415349849 1073194659 /nfs/dbraw/zinc/19/46/59/1073194659.db2.gz YABJJRDDHDBNNE-OAHLLOKOSA-N 2 2 387.484 -0.238 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000415438085 1073199557 /nfs/dbraw/zinc/19/95/57/1073199557.db2.gz QAHNQHZUYRTUSR-HNNXBMFYSA-N 2 2 387.484 -0.238 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000415438090 1073199443 /nfs/dbraw/zinc/19/94/43/1073199443.db2.gz QAHNQHZUYRTUSR-OAHLLOKOSA-N 2 2 387.484 -0.238 20 0 GBADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000415592220 1073208334 /nfs/dbraw/zinc/20/83/34/1073208334.db2.gz BNNPENLNMGHEAC-GOSISDBHSA-N 2 2 389.500 -0.051 20 0 GBADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000415592222 1073208311 /nfs/dbraw/zinc/20/83/11/1073208311.db2.gz BNNPENLNMGHEAC-SFHVURJKSA-N 2 2 389.500 -0.051 20 0 GBADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000415610368 1073213118 /nfs/dbraw/zinc/21/31/18/1073213118.db2.gz VPMPRTRNONBXLM-KRWDZBQOSA-N 2 2 375.473 -0.441 20 0 GBADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000415610371 1073212721 /nfs/dbraw/zinc/21/27/21/1073212721.db2.gz VPMPRTRNONBXLM-QGZVFWFLSA-N 2 2 375.473 -0.441 20 0 GBADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000415615396 1073214116 /nfs/dbraw/zinc/21/41/16/1073214116.db2.gz RCMALTABUIKCSO-UHFFFAOYSA-N 2 2 397.426 -0.348 20 0 GBADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000415841274 1073225834 /nfs/dbraw/zinc/22/58/34/1073225834.db2.gz GSAIUXSLJPDZAR-GOSISDBHSA-N 2 2 389.500 -0.133 20 0 GBADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000415841275 1073225923 /nfs/dbraw/zinc/22/59/23/1073225923.db2.gz GSAIUXSLJPDZAR-SFHVURJKSA-N 2 2 389.500 -0.133 20 0 GBADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCOC4(C[NH2+]C4)C3)c2)CC1 ZINC000415896264 1073230891 /nfs/dbraw/zinc/23/08/91/1073230891.db2.gz QOIBKKHNIZLLFU-UHFFFAOYSA-N 2 2 387.484 -0.427 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000416684621 1073285395 /nfs/dbraw/zinc/28/53/95/1073285395.db2.gz LMHGTQBWHLHFMK-INIZCTEOSA-N 2 2 385.509 -0.685 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000416684621 1073285390 /nfs/dbraw/zinc/28/53/90/1073285390.db2.gz LMHGTQBWHLHFMK-INIZCTEOSA-N 2 2 385.509 -0.685 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000416684641 1073285858 /nfs/dbraw/zinc/28/58/58/1073285858.db2.gz LMHGTQBWHLHFMK-MRXNPFEDSA-N 2 2 385.509 -0.685 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000416684641 1073285854 /nfs/dbraw/zinc/28/58/54/1073285854.db2.gz LMHGTQBWHLHFMK-MRXNPFEDSA-N 2 2 385.509 -0.685 20 0 GBADLP C[NH+](C)[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000416806298 1073289321 /nfs/dbraw/zinc/28/93/21/1073289321.db2.gz FOSXMBTVFGBJQV-AWEZNQCLSA-N 2 2 385.490 -0.489 20 0 GBADLP C[NH+](C)[C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000416806299 1073289111 /nfs/dbraw/zinc/28/91/11/1073289111.db2.gz FOSXMBTVFGBJQV-CQSZACIVSA-N 2 2 385.490 -0.489 20 0 GBADLP CC(C)(C[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417047007 1073295619 /nfs/dbraw/zinc/29/56/19/1073295619.db2.gz BVKUQNJXRSOIIF-UHFFFAOYSA-N 2 2 384.506 -0.430 20 0 GBADLP C[C@@H](C[NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417048008 1073295233 /nfs/dbraw/zinc/29/52/33/1073295233.db2.gz DRXDLZQYQULTOW-AWEZNQCLSA-N 2 2 384.506 -0.573 20 0 GBADLP C[C@H](C[NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417048009 1073295050 /nfs/dbraw/zinc/29/50/50/1073295050.db2.gz DRXDLZQYQULTOW-CQSZACIVSA-N 2 2 384.506 -0.573 20 0 GBADLP CC(C)([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417049487 1073294837 /nfs/dbraw/zinc/29/48/37/1073294837.db2.gz GTCMSLOXWYAVOY-UHFFFAOYSA-N 2 2 384.506 -0.430 20 0 GBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417049902 1073295221 /nfs/dbraw/zinc/29/52/21/1073295221.db2.gz HXDXAMCNUJCJNY-KBPBESRZSA-N 2 2 384.506 -0.432 20 0 GBADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417049903 1073294982 /nfs/dbraw/zinc/29/49/82/1073294982.db2.gz HXDXAMCNUJCJNY-KGLIPLIRSA-N 2 2 384.506 -0.432 20 0 GBADLP C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000417049904 1073295280 /nfs/dbraw/zinc/29/52/80/1073295280.db2.gz HXDXAMCNUJCJNY-UONOGXRCSA-N 2 2 384.506 -0.432 20 0 GBADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417049905 1073296341 /nfs/dbraw/zinc/29/63/41/1073296341.db2.gz HXDXAMCNUJCJNY-ZIAGYGMSSA-N 2 2 384.506 -0.432 20 0 GBADLP [NH3+][C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000417050100 1073295525 /nfs/dbraw/zinc/29/55/25/1073295525.db2.gz IQYTWHVBNWLIGD-HNNXBMFYSA-N 2 2 396.517 -0.430 20 0 GBADLP [NH3+][C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000417050101 1073295241 /nfs/dbraw/zinc/29/52/41/1073295241.db2.gz IQYTWHVBNWLIGD-OAHLLOKOSA-N 2 2 396.517 -0.430 20 0 GBADLP CCC[NH2+]CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417050280 1073295466 /nfs/dbraw/zinc/29/54/66/1073295466.db2.gz JICCSPMQHHLOLL-UHFFFAOYSA-N 2 2 398.533 -0.168 20 0 GBADLP C[NH2+]C[C@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417050531 1073295161 /nfs/dbraw/zinc/29/51/61/1073295161.db2.gz KQPUKTJZPMDBQU-HNNXBMFYSA-N 2 2 398.533 -0.312 20 0 GBADLP C[NH2+]C[C@@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417050532 1073115027 /nfs/dbraw/zinc/11/50/27/1073115027.db2.gz KQPUKTJZPMDBQU-OAHLLOKOSA-N 2 2 398.533 -0.312 20 0 GBADLP C[C@@H](C[NH3+])N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417050698 1073295064 /nfs/dbraw/zinc/29/50/64/1073295064.db2.gz LCVOSKKHXZVJRJ-AWEZNQCLSA-N 2 2 384.506 -0.478 20 0 GBADLP C[C@H](C[NH3+])N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417050699 1073295554 /nfs/dbraw/zinc/29/55/54/1073295554.db2.gz LCVOSKKHXZVJRJ-CQSZACIVSA-N 2 2 384.506 -0.478 20 0 GBADLP C[C@H]([NH3+])CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417050953 1073295171 /nfs/dbraw/zinc/29/51/71/1073295171.db2.gz LUDBVXRQUPWFKC-AWEZNQCLSA-N 2 2 384.506 -0.430 20 0 GBADLP C[NH2+]CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417051154 1073295539 /nfs/dbraw/zinc/29/55/39/1073295539.db2.gz MUXITOBBVXXCCE-UHFFFAOYSA-N 2 2 384.506 -0.558 20 0 GBADLP [NH3+]C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000417051428 1073296202 /nfs/dbraw/zinc/29/62/02/1073296202.db2.gz NPIBHWDBTVHQAQ-HNNXBMFYSA-N 2 2 396.517 -0.430 20 0 GBADLP [NH3+]C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000417051429 1073296040 /nfs/dbraw/zinc/29/60/40/1073296040.db2.gz NPIBHWDBTVHQAQ-OAHLLOKOSA-N 2 2 396.517 -0.430 20 0 GBADLP C[C@@H](CCC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417051892 1073295593 /nfs/dbraw/zinc/29/55/93/1073295593.db2.gz OOYYFAAZWXLFDY-HNNXBMFYSA-N 2 2 398.533 -0.040 20 0 GBADLP C[C@H](CCC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417051893 1073295115 /nfs/dbraw/zinc/29/51/15/1073295115.db2.gz OOYYFAAZWXLFDY-OAHLLOKOSA-N 2 2 398.533 -0.040 20 0 GBADLP C[C@@H](CC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417052298 1073295293 /nfs/dbraw/zinc/29/52/93/1073295293.db2.gz PKZZHYXPIJPIMT-AWEZNQCLSA-N 2 2 384.506 -0.430 20 0 GBADLP C[C@H](CC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417052299 1073295566 /nfs/dbraw/zinc/29/55/66/1073295566.db2.gz PKZZHYXPIJPIMT-CQSZACIVSA-N 2 2 384.506 -0.430 20 0 GBADLP CC[NH2+][C@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417052328 1073295584 /nfs/dbraw/zinc/29/55/84/1073295584.db2.gz PRAJQMZVSYXINQ-OAHLLOKOSA-N 2 2 398.533 -0.169 20 0 GBADLP CC[NH2+]CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417056093 1073114693 /nfs/dbraw/zinc/11/46/93/1073114693.db2.gz YNWLIRSYHDSBLW-UHFFFAOYSA-N 2 2 384.506 -0.558 20 0 GBADLP CC(C)[C@@H]([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417056153 1073296251 /nfs/dbraw/zinc/29/62/51/1073296251.db2.gz YWPAUYJXULJXCF-HNNXBMFYSA-N 2 2 398.533 -0.184 20 0 GBADLP CC(C)[C@H]([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417056159 1073114811 /nfs/dbraw/zinc/11/48/11/1073114811.db2.gz YWPAUYJXULJXCF-OAHLLOKOSA-N 2 2 398.533 -0.184 20 0 GBADLP [NH3+]C1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000417056423 1073295882 /nfs/dbraw/zinc/29/58/82/1073295882.db2.gz ZECQRKNRKJVGHU-UHFFFAOYSA-N 2 2 396.517 -0.286 20 0 GBADLP CC[C@H]([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417056497 1073296136 /nfs/dbraw/zinc/29/61/36/1073296136.db2.gz ZSDSKYDOTQFPKS-AWEZNQCLSA-N 2 2 384.506 -0.430 20 0 GBADLP CC[C@@H]([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417056498 1073296309 /nfs/dbraw/zinc/29/63/09/1073296309.db2.gz ZSDSKYDOTQFPKS-CQSZACIVSA-N 2 2 384.506 -0.430 20 0 GBADLP Cc1ccc(NCCCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)[nH+]c1 ZINC000417072211 1073296157 /nfs/dbraw/zinc/29/61/57/1073296157.db2.gz WYTDROBXDYBCMG-UHFFFAOYSA-N 2 2 396.517 -0.179 20 0 GBADLP COC[C@]1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000417151955 1073298200 /nfs/dbraw/zinc/29/82/00/1073298200.db2.gz HSKZRAFOKUBHLW-GOSISDBHSA-N 2 2 377.493 -0.334 20 0 GBADLP COC[C@@]1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000417151963 1073298538 /nfs/dbraw/zinc/29/85/38/1073298538.db2.gz HSKZRAFOKUBHLW-SFHVURJKSA-N 2 2 377.493 -0.334 20 0 GBADLP COCC[NH2+]CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417369751 1073305931 /nfs/dbraw/zinc/30/59/31/1073305931.db2.gz ROMRLUUWDBXEKM-UHFFFAOYSA-N 2 2 378.477 -0.345 20 0 GBADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417741805 1073316394 /nfs/dbraw/zinc/31/63/94/1073316394.db2.gz VIINJWGRLMZYIG-UHFFFAOYSA-N 2 2 384.506 -0.399 20 0 GBADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418218455 1073326549 /nfs/dbraw/zinc/32/65/49/1073326549.db2.gz QAFVMQPRNYQSCB-KBPBESRZSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418218455 1073326544 /nfs/dbraw/zinc/32/65/44/1073326544.db2.gz QAFVMQPRNYQSCB-KBPBESRZSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418218456 1073326515 /nfs/dbraw/zinc/32/65/15/1073326515.db2.gz QAFVMQPRNYQSCB-KGLIPLIRSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418218456 1073326510 /nfs/dbraw/zinc/32/65/10/1073326510.db2.gz QAFVMQPRNYQSCB-KGLIPLIRSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418218458 1073326446 /nfs/dbraw/zinc/32/64/46/1073326446.db2.gz QAFVMQPRNYQSCB-UONOGXRCSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418218458 1073326442 /nfs/dbraw/zinc/32/64/42/1073326442.db2.gz QAFVMQPRNYQSCB-UONOGXRCSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418218459 1073327087 /nfs/dbraw/zinc/32/70/87/1073327087.db2.gz QAFVMQPRNYQSCB-ZIAGYGMSSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418218459 1073327076 /nfs/dbraw/zinc/32/70/76/1073327076.db2.gz QAFVMQPRNYQSCB-ZIAGYGMSSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418367003 1073337731 /nfs/dbraw/zinc/33/77/31/1073337731.db2.gz KYDZOSWOLFWSBP-HNNXBMFYSA-N 2 2 375.477 -0.103 20 0 GBADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418367003 1073337729 /nfs/dbraw/zinc/33/77/29/1073337729.db2.gz KYDZOSWOLFWSBP-HNNXBMFYSA-N 2 2 375.477 -0.103 20 0 GBADLP O=C(NC[C@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418367004 1073337800 /nfs/dbraw/zinc/33/78/00/1073337800.db2.gz KYDZOSWOLFWSBP-OAHLLOKOSA-N 2 2 375.477 -0.103 20 0 GBADLP O=C(NC[C@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418367004 1073337795 /nfs/dbraw/zinc/33/77/95/1073337795.db2.gz KYDZOSWOLFWSBP-OAHLLOKOSA-N 2 2 375.477 -0.103 20 0 GBADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418392147 1073339948 /nfs/dbraw/zinc/33/99/48/1073339948.db2.gz ZGUQBTZQSHUXAY-HNNXBMFYSA-N 2 2 375.477 -0.103 20 0 GBADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418392147 1073339943 /nfs/dbraw/zinc/33/99/43/1073339943.db2.gz ZGUQBTZQSHUXAY-HNNXBMFYSA-N 2 2 375.477 -0.103 20 0 GBADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000418392150 1073340062 /nfs/dbraw/zinc/34/00/62/1073340062.db2.gz ZGUQBTZQSHUXAY-OAHLLOKOSA-N 2 2 375.477 -0.103 20 0 GBADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000418392150 1073340055 /nfs/dbraw/zinc/34/00/55/1073340055.db2.gz ZGUQBTZQSHUXAY-OAHLLOKOSA-N 2 2 375.477 -0.103 20 0 GBADLP [NH3+]C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000418395188 1073339676 /nfs/dbraw/zinc/33/96/76/1073339676.db2.gz HGHBKEHALIQIOV-HNNXBMFYSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+]C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000418395188 1073339668 /nfs/dbraw/zinc/33/96/68/1073339668.db2.gz HGHBKEHALIQIOV-HNNXBMFYSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+]C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000418395189 1073339915 /nfs/dbraw/zinc/33/99/15/1073339915.db2.gz HGHBKEHALIQIOV-OAHLLOKOSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+]C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000418395189 1073339905 /nfs/dbraw/zinc/33/99/05/1073339905.db2.gz HGHBKEHALIQIOV-OAHLLOKOSA-N 2 2 375.477 -0.118 20 0 GBADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418422397 1073342751 /nfs/dbraw/zinc/34/27/51/1073342751.db2.gz AYJNXOJQENKDTD-HNNXBMFYSA-N 2 2 390.554 -0.821 20 0 GBADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418422398 1073342771 /nfs/dbraw/zinc/34/27/71/1073342771.db2.gz AYJNXOJQENKDTD-OAHLLOKOSA-N 2 2 390.554 -0.821 20 0 GBADLP CCC([NH3+])(CC)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418427161 1073342876 /nfs/dbraw/zinc/34/28/76/1073342876.db2.gz ASEDNSLXPZNGCS-UHFFFAOYSA-N 2 2 390.554 -0.677 20 0 GBADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418473627 1073346213 /nfs/dbraw/zinc/34/62/13/1073346213.db2.gz UFVNLMDNMDODLD-HNNXBMFYSA-N 2 2 390.554 -0.677 20 0 GBADLP CCCC[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418473628 1073346158 /nfs/dbraw/zinc/34/61/58/1073346158.db2.gz UFVNLMDNMDODLD-OAHLLOKOSA-N 2 2 390.554 -0.677 20 0 GBADLP [NH3+][C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000418484281 1073345865 /nfs/dbraw/zinc/34/58/65/1073345865.db2.gz GKQGHWPFFYDZKE-HNNXBMFYSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+][C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000418484281 1073345856 /nfs/dbraw/zinc/34/58/56/1073345856.db2.gz GKQGHWPFFYDZKE-HNNXBMFYSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+][C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000418484283 1073346182 /nfs/dbraw/zinc/34/61/82/1073346182.db2.gz GKQGHWPFFYDZKE-OAHLLOKOSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+][C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000418484283 1073346174 /nfs/dbraw/zinc/34/61/74/1073346174.db2.gz GKQGHWPFFYDZKE-OAHLLOKOSA-N 2 2 375.477 -0.118 20 0 GBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418619657 1073701798 /nfs/dbraw/zinc/70/17/98/1073701798.db2.gz PRIZNJGWUOZDNM-HZSPNIEDSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418619657 1073701794 /nfs/dbraw/zinc/70/17/94/1073701794.db2.gz PRIZNJGWUOZDNM-HZSPNIEDSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418619658 1073702255 /nfs/dbraw/zinc/70/22/55/1073702255.db2.gz PRIZNJGWUOZDNM-MJBXVCDLSA-N 2 2 379.427 -0.015 20 0 GBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418619658 1073702247 /nfs/dbraw/zinc/70/22/47/1073702247.db2.gz PRIZNJGWUOZDNM-MJBXVCDLSA-N 2 2 379.427 -0.015 20 0 GBADLP COC[C@]1(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC[NH2+]1 ZINC000418657146 1073703826 /nfs/dbraw/zinc/70/38/26/1073703826.db2.gz QTHOLGYBOVQCBO-GOSISDBHSA-N 2 2 388.476 -0.037 20 0 GBADLP COC[C@@]1(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC[NH2+]1 ZINC000418657147 1073704185 /nfs/dbraw/zinc/70/41/85/1073704185.db2.gz QTHOLGYBOVQCBO-SFHVURJKSA-N 2 2 388.476 -0.037 20 0 GBADLP C[C@@H](CCCC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418704010 1073709692 /nfs/dbraw/zinc/70/96/92/1073709692.db2.gz RFLHUOSCDBLQCH-HNNXBMFYSA-N 2 2 390.554 -0.677 20 0 GBADLP C[C@H](CCCC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418704094 1073709202 /nfs/dbraw/zinc/70/92/02/1073709202.db2.gz RFLHUOSCDBLQCH-OAHLLOKOSA-N 2 2 390.554 -0.677 20 0 GBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000418752196 1073712786 /nfs/dbraw/zinc/71/27/86/1073712786.db2.gz BJKFYQZLFBSCJB-MSOLQXFVSA-N 2 2 391.516 -0.343 20 0 GBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000418752197 1073712497 /nfs/dbraw/zinc/71/24/97/1073712497.db2.gz BJKFYQZLFBSCJB-QZTJIDSGSA-N 2 2 391.516 -0.343 20 0 GBADLP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000418752198 1073712646 /nfs/dbraw/zinc/71/26/46/1073712646.db2.gz BJKFYQZLFBSCJB-ROUUACIJSA-N 2 2 391.516 -0.343 20 0 GBADLP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000418752199 1073713357 /nfs/dbraw/zinc/71/33/57/1073713357.db2.gz BJKFYQZLFBSCJB-ZWKOTPCHSA-N 2 2 391.516 -0.343 20 0 GBADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418821437 1073722985 /nfs/dbraw/zinc/72/29/85/1073722985.db2.gz QKKRQEAETYYWNN-GDBMZVCRSA-N 2 2 390.488 -0.633 20 0 GBADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418821442 1073722953 /nfs/dbraw/zinc/72/29/53/1073722953.db2.gz QKKRQEAETYYWNN-GOEBONIOSA-N 2 2 390.488 -0.633 20 0 GBADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418821443 1073722565 /nfs/dbraw/zinc/72/25/65/1073722565.db2.gz QKKRQEAETYYWNN-HOCLYGCPSA-N 2 2 390.488 -0.633 20 0 GBADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418821444 1073722972 /nfs/dbraw/zinc/72/29/72/1073722972.db2.gz QKKRQEAETYYWNN-ZBFHGGJFSA-N 2 2 390.488 -0.633 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000418835519 1073725588 /nfs/dbraw/zinc/72/55/88/1073725588.db2.gz PWLUZQGKJXFGQV-MSOLQXFVSA-N 2 2 390.484 -0.420 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000418835519 1073725581 /nfs/dbraw/zinc/72/55/81/1073725581.db2.gz PWLUZQGKJXFGQV-MSOLQXFVSA-N 2 2 390.484 -0.420 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000418835520 1073725097 /nfs/dbraw/zinc/72/50/97/1073725097.db2.gz PWLUZQGKJXFGQV-QZTJIDSGSA-N 2 2 390.484 -0.420 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000418835520 1073725093 /nfs/dbraw/zinc/72/50/93/1073725093.db2.gz PWLUZQGKJXFGQV-QZTJIDSGSA-N 2 2 390.484 -0.420 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000418835521 1073725223 /nfs/dbraw/zinc/72/52/23/1073725223.db2.gz PWLUZQGKJXFGQV-ROUUACIJSA-N 2 2 390.484 -0.420 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000418835521 1073725219 /nfs/dbraw/zinc/72/52/19/1073725219.db2.gz PWLUZQGKJXFGQV-ROUUACIJSA-N 2 2 390.484 -0.420 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000418835522 1073725647 /nfs/dbraw/zinc/72/56/47/1073725647.db2.gz PWLUZQGKJXFGQV-ZWKOTPCHSA-N 2 2 390.484 -0.420 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000418835522 1073725641 /nfs/dbraw/zinc/72/56/41/1073725641.db2.gz PWLUZQGKJXFGQV-ZWKOTPCHSA-N 2 2 390.484 -0.420 20 0 GBADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418837338 1073726601 /nfs/dbraw/zinc/72/66/01/1073726601.db2.gz SKPUCVBGMKFXLS-MSOLQXFVSA-N 2 2 390.484 -0.502 20 0 GBADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418837338 1073726599 /nfs/dbraw/zinc/72/65/99/1073726599.db2.gz SKPUCVBGMKFXLS-MSOLQXFVSA-N 2 2 390.484 -0.502 20 0 GBADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418837339 1073726656 /nfs/dbraw/zinc/72/66/56/1073726656.db2.gz SKPUCVBGMKFXLS-QZTJIDSGSA-N 2 2 390.484 -0.502 20 0 GBADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418837339 1073726653 /nfs/dbraw/zinc/72/66/53/1073726653.db2.gz SKPUCVBGMKFXLS-QZTJIDSGSA-N 2 2 390.484 -0.502 20 0 GBADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418837340 1073726313 /nfs/dbraw/zinc/72/63/13/1073726313.db2.gz SKPUCVBGMKFXLS-ROUUACIJSA-N 2 2 390.484 -0.502 20 0 GBADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418837340 1073726306 /nfs/dbraw/zinc/72/63/06/1073726306.db2.gz SKPUCVBGMKFXLS-ROUUACIJSA-N 2 2 390.484 -0.502 20 0 GBADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418837341 1073726128 /nfs/dbraw/zinc/72/61/28/1073726128.db2.gz SKPUCVBGMKFXLS-ZWKOTPCHSA-N 2 2 390.484 -0.502 20 0 GBADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418837341 1073726119 /nfs/dbraw/zinc/72/61/19/1073726119.db2.gz SKPUCVBGMKFXLS-ZWKOTPCHSA-N 2 2 390.484 -0.502 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000418837358 1073726633 /nfs/dbraw/zinc/72/66/33/1073726633.db2.gz SNIQEPNBFQLYRL-DLBZAZTESA-N 2 2 376.457 -0.810 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000418837358 1073726628 /nfs/dbraw/zinc/72/66/28/1073726628.db2.gz SNIQEPNBFQLYRL-DLBZAZTESA-N 2 2 376.457 -0.810 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000418837359 1073726266 /nfs/dbraw/zinc/72/62/66/1073726266.db2.gz SNIQEPNBFQLYRL-IAGOWNOFSA-N 2 2 376.457 -0.810 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000418837359 1073726260 /nfs/dbraw/zinc/72/62/60/1073726260.db2.gz SNIQEPNBFQLYRL-IAGOWNOFSA-N 2 2 376.457 -0.810 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000418837360 1073726454 /nfs/dbraw/zinc/72/64/54/1073726454.db2.gz SNIQEPNBFQLYRL-IRXDYDNUSA-N 2 2 376.457 -0.810 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000418837360 1073726448 /nfs/dbraw/zinc/72/64/48/1073726448.db2.gz SNIQEPNBFQLYRL-IRXDYDNUSA-N 2 2 376.457 -0.810 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000418837361 1073726346 /nfs/dbraw/zinc/72/63/46/1073726346.db2.gz SNIQEPNBFQLYRL-SJORKVTESA-N 2 2 376.457 -0.810 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000418837361 1073726338 /nfs/dbraw/zinc/72/63/38/1073726338.db2.gz SNIQEPNBFQLYRL-SJORKVTESA-N 2 2 376.457 -0.810 20 0 GBADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837928 1073724579 /nfs/dbraw/zinc/72/45/79/1073724579.db2.gz UIFBNXYVQCNROR-DLBZAZTESA-N 2 2 376.457 -0.892 20 0 GBADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837928 1073724574 /nfs/dbraw/zinc/72/45/74/1073724574.db2.gz UIFBNXYVQCNROR-DLBZAZTESA-N 2 2 376.457 -0.892 20 0 GBADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418837929 1073724611 /nfs/dbraw/zinc/72/46/11/1073724611.db2.gz UIFBNXYVQCNROR-IAGOWNOFSA-N 2 2 376.457 -0.892 20 0 GBADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418837929 1073724605 /nfs/dbraw/zinc/72/46/05/1073724605.db2.gz UIFBNXYVQCNROR-IAGOWNOFSA-N 2 2 376.457 -0.892 20 0 GBADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837930 1073724524 /nfs/dbraw/zinc/72/45/24/1073724524.db2.gz UIFBNXYVQCNROR-IRXDYDNUSA-N 2 2 376.457 -0.892 20 0 GBADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837930 1073724519 /nfs/dbraw/zinc/72/45/19/1073724519.db2.gz UIFBNXYVQCNROR-IRXDYDNUSA-N 2 2 376.457 -0.892 20 0 GBADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837931 1073724737 /nfs/dbraw/zinc/72/47/37/1073724737.db2.gz UIFBNXYVQCNROR-SJORKVTESA-N 2 2 376.457 -0.892 20 0 GBADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837931 1073724728 /nfs/dbraw/zinc/72/47/28/1073724728.db2.gz UIFBNXYVQCNROR-SJORKVTESA-N 2 2 376.457 -0.892 20 0 GBADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418838220 1073723737 /nfs/dbraw/zinc/72/37/37/1073723737.db2.gz BYIFFASQHFIHMX-UHFFFAOYSA-N 2 2 383.443 -0.369 20 0 GBADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000418844398 1073727010 /nfs/dbraw/zinc/72/70/10/1073727010.db2.gz MDDOPTZYYRUHMP-INIZCTEOSA-N 2 2 398.467 -0.198 20 0 GBADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000418844399 1073727649 /nfs/dbraw/zinc/72/76/49/1073727649.db2.gz MDDOPTZYYRUHMP-MRXNPFEDSA-N 2 2 398.467 -0.198 20 0 GBADLP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899659 1073735688 /nfs/dbraw/zinc/73/56/88/1073735688.db2.gz CBYCEEXWMBETKG-KCXAZCMYSA-N 2 2 382.411 -0.069 20 0 GBADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899659 1073735680 /nfs/dbraw/zinc/73/56/80/1073735680.db2.gz CBYCEEXWMBETKG-KCXAZCMYSA-N 2 2 382.411 -0.069 20 0 GBADLP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899666 1073735443 /nfs/dbraw/zinc/73/54/43/1073735443.db2.gz CBYCEEXWMBETKG-RCBQFDQVSA-N 2 2 382.411 -0.069 20 0 GBADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418899666 1073735433 /nfs/dbraw/zinc/73/54/33/1073735433.db2.gz CBYCEEXWMBETKG-RCBQFDQVSA-N 2 2 382.411 -0.069 20 0 GBADLP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899674 1073735946 /nfs/dbraw/zinc/73/59/46/1073735946.db2.gz CBYCEEXWMBETKG-UHOFOFEASA-N 2 2 382.411 -0.069 20 0 GBADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899674 1073735945 /nfs/dbraw/zinc/73/59/45/1073735945.db2.gz CBYCEEXWMBETKG-UHOFOFEASA-N 2 2 382.411 -0.069 20 0 GBADLP C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899683 1073735896 /nfs/dbraw/zinc/73/58/96/1073735896.db2.gz CBYCEEXWMBETKG-VBNZEHGJSA-N 2 2 382.411 -0.069 20 0 GBADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000418899683 1073735890 /nfs/dbraw/zinc/73/58/90/1073735890.db2.gz CBYCEEXWMBETKG-VBNZEHGJSA-N 2 2 382.411 -0.069 20 0 GBADLP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418901649 1073736731 /nfs/dbraw/zinc/73/67/31/1073736731.db2.gz FUTIMCQQRNWALY-DLBZAZTESA-N 2 2 395.454 -0.152 20 0 GBADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418901649 1073736725 /nfs/dbraw/zinc/73/67/25/1073736725.db2.gz FUTIMCQQRNWALY-DLBZAZTESA-N 2 2 395.454 -0.152 20 0 GBADLP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418901656 1073736693 /nfs/dbraw/zinc/73/66/93/1073736693.db2.gz FUTIMCQQRNWALY-IAGOWNOFSA-N 2 2 395.454 -0.152 20 0 GBADLP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000418901656 1073736685 /nfs/dbraw/zinc/73/66/85/1073736685.db2.gz FUTIMCQQRNWALY-IAGOWNOFSA-N 2 2 395.454 -0.152 20 0 GBADLP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418901658 1073736401 /nfs/dbraw/zinc/73/64/01/1073736401.db2.gz FUTIMCQQRNWALY-IRXDYDNUSA-N 2 2 395.454 -0.152 20 0 GBADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418901658 1073736396 /nfs/dbraw/zinc/73/63/96/1073736396.db2.gz FUTIMCQQRNWALY-IRXDYDNUSA-N 2 2 395.454 -0.152 20 0 GBADLP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418901660 1073736621 /nfs/dbraw/zinc/73/66/21/1073736621.db2.gz FUTIMCQQRNWALY-SJORKVTESA-N 2 2 395.454 -0.152 20 0 GBADLP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418901660 1073736613 /nfs/dbraw/zinc/73/66/13/1073736613.db2.gz FUTIMCQQRNWALY-SJORKVTESA-N 2 2 395.454 -0.152 20 0 GBADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000418959847 1073743198 /nfs/dbraw/zinc/74/31/98/1073743198.db2.gz HYCMRAYJKVYCLL-HNNXBMFYSA-N 2 2 376.457 -0.174 20 0 GBADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000418959847 1073743190 /nfs/dbraw/zinc/74/31/90/1073743190.db2.gz HYCMRAYJKVYCLL-HNNXBMFYSA-N 2 2 376.457 -0.174 20 0 GBADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000418959857 1073743013 /nfs/dbraw/zinc/74/30/13/1073743013.db2.gz HYCMRAYJKVYCLL-OAHLLOKOSA-N 2 2 376.457 -0.174 20 0 GBADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000418959857 1073743005 /nfs/dbraw/zinc/74/30/05/1073743005.db2.gz HYCMRAYJKVYCLL-OAHLLOKOSA-N 2 2 376.457 -0.174 20 0 GBADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000418976701 1073744461 /nfs/dbraw/zinc/74/44/61/1073744461.db2.gz JBQDMVCPZOFJAO-INIZCTEOSA-N 2 2 396.532 -0.122 20 0 GBADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000418976704 1073744445 /nfs/dbraw/zinc/74/44/45/1073744445.db2.gz JBQDMVCPZOFJAO-MRXNPFEDSA-N 2 2 396.532 -0.122 20 0 GBADLP C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H]1C[NH3+] ZINC000418977450 1073744389 /nfs/dbraw/zinc/74/43/89/1073744389.db2.gz JYVFGNMSTKCEEI-CVEARBPZSA-N 2 2 382.505 -0.430 20 0 GBADLP C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H]1C[NH3+] ZINC000418977451 1073744154 /nfs/dbraw/zinc/74/41/54/1073744154.db2.gz JYVFGNMSTKCEEI-HOTGVXAUSA-N 2 2 382.505 -0.430 20 0 GBADLP C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H]1C[NH3+] ZINC000418977452 1073744015 /nfs/dbraw/zinc/74/40/15/1073744015.db2.gz JYVFGNMSTKCEEI-HZPDHXFCSA-N 2 2 382.505 -0.430 20 0 GBADLP C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H]1C[NH3+] ZINC000418977453 1073744422 /nfs/dbraw/zinc/74/44/22/1073744422.db2.gz JYVFGNMSTKCEEI-JKSUJKDBSA-N 2 2 382.505 -0.430 20 0 GBADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000418978931 1073744947 /nfs/dbraw/zinc/74/49/47/1073744947.db2.gz MKRZCXRLEACLKI-INIZCTEOSA-N 2 2 382.505 -0.416 20 0 GBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000418978935 1073745233 /nfs/dbraw/zinc/74/52/33/1073745233.db2.gz MKRZCXRLEACLKI-MRXNPFEDSA-N 2 2 382.505 -0.416 20 0 GBADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000419035962 1073757926 /nfs/dbraw/zinc/75/79/26/1073757926.db2.gz FUIIVAMOPMZXHC-INIZCTEOSA-N 2 2 398.467 -0.198 20 0 GBADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000419035963 1073758129 /nfs/dbraw/zinc/75/81/29/1073758129.db2.gz FUIIVAMOPMZXHC-MRXNPFEDSA-N 2 2 398.467 -0.198 20 0 GBADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(CC[NH3+])CCO)[nH+]c12 ZINC000419043953 530348097 /nfs/dbraw/zinc/34/80/97/530348097.db2.gz ORFGLUNMCLEHSB-UHFFFAOYSA-N 2 2 398.261 -0.199 20 0 GBADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000419047075 1073761942 /nfs/dbraw/zinc/76/19/42/1073761942.db2.gz RILKVLICDNEPAB-DOTOQJQBSA-N 2 2 389.500 -0.470 20 0 GBADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000419047075 1073761932 /nfs/dbraw/zinc/76/19/32/1073761932.db2.gz RILKVLICDNEPAB-DOTOQJQBSA-N 2 2 389.500 -0.470 20 0 GBADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000419047080 1073762075 /nfs/dbraw/zinc/76/20/75/1073762075.db2.gz RILKVLICDNEPAB-NVXWUHKLSA-N 2 2 389.500 -0.470 20 0 GBADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000419047080 1073762072 /nfs/dbraw/zinc/76/20/72/1073762072.db2.gz RILKVLICDNEPAB-NVXWUHKLSA-N 2 2 389.500 -0.470 20 0 GBADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000419047082 1073762046 /nfs/dbraw/zinc/76/20/46/1073762046.db2.gz RILKVLICDNEPAB-RDJZCZTQSA-N 2 2 389.500 -0.470 20 0 GBADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000419047082 1073762045 /nfs/dbraw/zinc/76/20/45/1073762045.db2.gz RILKVLICDNEPAB-RDJZCZTQSA-N 2 2 389.500 -0.470 20 0 GBADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000419047084 1073762109 /nfs/dbraw/zinc/76/21/09/1073762109.db2.gz RILKVLICDNEPAB-WBVHZDCISA-N 2 2 389.500 -0.470 20 0 GBADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000419047084 1073762107 /nfs/dbraw/zinc/76/21/07/1073762107.db2.gz RILKVLICDNEPAB-WBVHZDCISA-N 2 2 389.500 -0.470 20 0 GBADLP [NH3+]CCN(CCO)C(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419102687 1073779403 /nfs/dbraw/zinc/77/94/03/1073779403.db2.gz IYVPNAONQLMFBT-UHFFFAOYSA-N 2 2 397.907 -0.642 20 0 GBADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)NCC1C[NH2+]C1 ZINC000419115947 1073786293 /nfs/dbraw/zinc/78/62/93/1073786293.db2.gz YXNJMCMZCVPJCR-UHFFFAOYSA-N 2 2 379.892 -0.086 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000419121536 1073782966 /nfs/dbraw/zinc/78/29/66/1073782966.db2.gz AUROJNPKEIKVCO-NVXWUHKLSA-N 2 2 390.484 -0.181 20 0 GBADLP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000419125339 1073783605 /nfs/dbraw/zinc/78/36/05/1073783605.db2.gz ZJKNDKYYZZJYBJ-BRWVUGGUSA-N 2 2 384.521 -0.186 20 0 GBADLP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000419125340 1073783433 /nfs/dbraw/zinc/78/34/33/1073783433.db2.gz ZJKNDKYYZZJYBJ-GVDBMIGSSA-N 2 2 384.521 -0.186 20 0 GBADLP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000419125341 1073783731 /nfs/dbraw/zinc/78/37/31/1073783731.db2.gz ZJKNDKYYZZJYBJ-IXDOHACOSA-N 2 2 384.521 -0.186 20 0 GBADLP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000419125342 1073783692 /nfs/dbraw/zinc/78/36/92/1073783692.db2.gz ZJKNDKYYZZJYBJ-YESZJQIVSA-N 2 2 384.521 -0.186 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCN(C)CC1 ZINC000419127446 1073784704 /nfs/dbraw/zinc/78/47/04/1073784704.db2.gz QIQKSCVXDDPAJP-JYJNAYRXSA-N 2 2 383.537 -0.396 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000419127447 1073784295 /nfs/dbraw/zinc/78/42/95/1073784295.db2.gz QIQKSCVXDDPAJP-OAGGEKHMSA-N 2 2 383.537 -0.396 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000419127448 1073784602 /nfs/dbraw/zinc/78/46/02/1073784602.db2.gz QIQKSCVXDDPAJP-PMPSAXMXSA-N 2 2 383.537 -0.396 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+]1CCN(C)CC1 ZINC000419127449 1073784350 /nfs/dbraw/zinc/78/43/50/1073784350.db2.gz QIQKSCVXDDPAJP-XHSDSOJGSA-N 2 2 383.537 -0.396 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419128503 1073784385 /nfs/dbraw/zinc/78/43/85/1073784385.db2.gz ATHYDODJSKIIPW-YESZJQIVSA-N 2 2 386.500 -0.614 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419128504 1073784509 /nfs/dbraw/zinc/78/45/09/1073784509.db2.gz ATHYDODJSKIIPW-ZACQAIPSSA-N 2 2 386.500 -0.614 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419129126 1073786026 /nfs/dbraw/zinc/78/60/26/1073786026.db2.gz CPFDDQRYXVRLEQ-BBWFWOEESA-N 2 2 388.516 -0.178 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419129127 1073786185 /nfs/dbraw/zinc/78/61/85/1073786185.db2.gz CPFDDQRYXVRLEQ-BRWVUGGUSA-N 2 2 388.516 -0.178 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419129128 1073786372 /nfs/dbraw/zinc/78/63/72/1073786372.db2.gz CPFDDQRYXVRLEQ-GVDBMIGSSA-N 2 2 388.516 -0.178 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419129129 1073786519 /nfs/dbraw/zinc/78/65/19/1073786519.db2.gz CPFDDQRYXVRLEQ-ZACQAIPSSA-N 2 2 388.516 -0.178 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419129894 1073788478 /nfs/dbraw/zinc/78/84/78/1073788478.db2.gz DRJGGXWBMKPEFH-DLBZAZTESA-N 2 2 388.516 -0.176 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419129897 1073788518 /nfs/dbraw/zinc/78/85/18/1073788518.db2.gz DRJGGXWBMKPEFH-IAGOWNOFSA-N 2 2 388.516 -0.176 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419129899 1073788246 /nfs/dbraw/zinc/78/82/46/1073788246.db2.gz DRJGGXWBMKPEFH-IRXDYDNUSA-N 2 2 388.516 -0.176 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419129901 1073788214 /nfs/dbraw/zinc/78/82/14/1073788214.db2.gz DRJGGXWBMKPEFH-SJORKVTESA-N 2 2 388.516 -0.176 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419129976 1073787904 /nfs/dbraw/zinc/78/79/04/1073787904.db2.gz DVQNQVOVVLOQBF-DLBZAZTESA-N 2 2 388.516 -0.176 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419129978 1073788200 /nfs/dbraw/zinc/78/82/00/1073788200.db2.gz DVQNQVOVVLOQBF-IAGOWNOFSA-N 2 2 388.516 -0.176 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419129979 1073788360 /nfs/dbraw/zinc/78/83/60/1073788360.db2.gz DVQNQVOVVLOQBF-IRXDYDNUSA-N 2 2 388.516 -0.176 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419129981 1073788265 /nfs/dbraw/zinc/78/82/65/1073788265.db2.gz DVQNQVOVVLOQBF-SJORKVTESA-N 2 2 388.516 -0.176 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419130217 1073788077 /nfs/dbraw/zinc/78/80/77/1073788077.db2.gz DYKNTXAWKGWICK-BRWVUGGUSA-N 2 2 388.516 -0.083 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419130222 1073788379 /nfs/dbraw/zinc/78/83/79/1073788379.db2.gz DYKNTXAWKGWICK-IKGGRYGDSA-N 2 2 388.516 -0.083 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419130224 1073788176 /nfs/dbraw/zinc/78/81/76/1073788176.db2.gz DYKNTXAWKGWICK-IXDOHACOSA-N 2 2 388.516 -0.083 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419130225 1073787886 /nfs/dbraw/zinc/78/78/86/1073787886.db2.gz DYKNTXAWKGWICK-ZACQAIPSSA-N 2 2 388.516 -0.083 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419130287 1073788020 /nfs/dbraw/zinc/78/80/20/1073788020.db2.gz FDLZDAIJCACXCY-BBWFWOEESA-N 2 2 386.500 -0.471 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419130288 1073788418 /nfs/dbraw/zinc/78/84/18/1073788418.db2.gz FDLZDAIJCACXCY-ZACQAIPSSA-N 2 2 386.500 -0.471 20 0 GBADLP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419130650 1073788994 /nfs/dbraw/zinc/78/89/94/1073788994.db2.gz BJONBJUGVYFXOW-OAHLLOKOSA-N 2 2 378.473 -0.275 20 0 GBADLP CC(C)([NH3+])CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419131685 1073789228 /nfs/dbraw/zinc/78/92/28/1073789228.db2.gz CSLPQUIFYRCHRO-UHFFFAOYSA-N 2 2 378.473 -0.133 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419132531 1073789333 /nfs/dbraw/zinc/78/93/33/1073789333.db2.gz HVHNVZBIYGYLTD-JXFKEZNVSA-N 2 2 388.516 -0.094 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419132538 1073789249 /nfs/dbraw/zinc/78/92/49/1073789249.db2.gz HVHNVZBIYGYLTD-OXJNMPFZSA-N 2 2 388.516 -0.094 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419132539 1073789167 /nfs/dbraw/zinc/78/91/67/1073789167.db2.gz HVHNVZBIYGYLTD-OXQOHEQNSA-N 2 2 388.516 -0.094 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419132540 1073789061 /nfs/dbraw/zinc/78/90/61/1073789061.db2.gz HVHNVZBIYGYLTD-UZLBHIALSA-N 2 2 388.516 -0.094 20 0 GBADLP C[NH2+]CCN(C)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419132766 1072249665 /nfs/dbraw/zinc/24/96/65/1072249665.db2.gz FGGZSMKNQJYRFV-UHFFFAOYSA-N 2 2 378.473 -0.308 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419133888 1073789417 /nfs/dbraw/zinc/78/94/17/1073789417.db2.gz JAUNBQVECQWBBZ-INIZCTEOSA-N 2 2 388.516 -0.094 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419133890 1073789113 /nfs/dbraw/zinc/78/91/13/1073789113.db2.gz JAUNBQVECQWBBZ-MRXNPFEDSA-N 2 2 388.516 -0.094 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419135265 1073789039 /nfs/dbraw/zinc/78/90/39/1073789039.db2.gz MGKNGFGAJRHLMU-INIZCTEOSA-N 2 2 388.516 -0.033 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419135266 1073788968 /nfs/dbraw/zinc/78/89/68/1073788968.db2.gz MGKNGFGAJRHLMU-MRXNPFEDSA-N 2 2 388.516 -0.033 20 0 GBADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419135456 1073788929 /nfs/dbraw/zinc/78/89/29/1073788929.db2.gz MTGZZSWLPHVOQA-CVEARBPZSA-N 2 2 376.505 -0.192 20 0 GBADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419135457 1073789361 /nfs/dbraw/zinc/78/93/61/1073789361.db2.gz MTGZZSWLPHVOQA-HOTGVXAUSA-N 2 2 376.505 -0.192 20 0 GBADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419135458 1073789373 /nfs/dbraw/zinc/78/93/73/1073789373.db2.gz MTGZZSWLPHVOQA-HZPDHXFCSA-N 2 2 376.505 -0.192 20 0 GBADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419135459 1073789005 /nfs/dbraw/zinc/78/90/05/1073789005.db2.gz MTGZZSWLPHVOQA-JKSUJKDBSA-N 2 2 376.505 -0.192 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419135810 1073790151 /nfs/dbraw/zinc/79/01/51/1073790151.db2.gz NQNRWYQRGJVUOC-DLBZAZTESA-N 2 2 388.516 -0.033 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419135811 1073789979 /nfs/dbraw/zinc/78/99/79/1073789979.db2.gz NQNRWYQRGJVUOC-IAGOWNOFSA-N 2 2 388.516 -0.033 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419135812 1073790441 /nfs/dbraw/zinc/79/04/41/1073790441.db2.gz NQNRWYQRGJVUOC-IRXDYDNUSA-N 2 2 388.516 -0.033 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419135813 1073789913 /nfs/dbraw/zinc/78/99/13/1073789913.db2.gz NQNRWYQRGJVUOC-SJORKVTESA-N 2 2 388.516 -0.033 20 0 GBADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000419136108 1073790123 /nfs/dbraw/zinc/79/01/23/1073790123.db2.gz OJXSFPOHQAHWGX-BRWVUGGUSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419136109 1073790285 /nfs/dbraw/zinc/79/02/85/1073790285.db2.gz OJXSFPOHQAHWGX-IKGGRYGDSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419136110 1073790331 /nfs/dbraw/zinc/79/03/31/1073790331.db2.gz OJXSFPOHQAHWGX-IXDOHACOSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000419136111 1073790206 /nfs/dbraw/zinc/79/02/06/1073790206.db2.gz OJXSFPOHQAHWGX-ZACQAIPSSA-N 2 2 388.516 -0.096 20 0 GBADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419136532 1073790384 /nfs/dbraw/zinc/79/03/84/1073790384.db2.gz PHFGBDNORKSSJP-DLBZAZTESA-N 2 2 388.516 -0.081 20 0 GBADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419136535 1073790308 /nfs/dbraw/zinc/79/03/08/1073790308.db2.gz PHFGBDNORKSSJP-IAGOWNOFSA-N 2 2 388.516 -0.081 20 0 GBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419136538 1073789853 /nfs/dbraw/zinc/78/98/53/1073789853.db2.gz PHFGBDNORKSSJP-IRXDYDNUSA-N 2 2 388.516 -0.081 20 0 GBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419136541 1073790111 /nfs/dbraw/zinc/79/01/11/1073790111.db2.gz PHFGBDNORKSSJP-SJORKVTESA-N 2 2 388.516 -0.081 20 0 GBADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419136699 1073791390 /nfs/dbraw/zinc/79/13/90/1073791390.db2.gz PMEJMIUMYHYSGC-CVEARBPZSA-N 2 2 376.505 -0.320 20 0 GBADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419136701 1073791096 /nfs/dbraw/zinc/79/10/96/1073791096.db2.gz PMEJMIUMYHYSGC-HOTGVXAUSA-N 2 2 376.505 -0.320 20 0 GBADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419136704 1073791257 /nfs/dbraw/zinc/79/12/57/1073791257.db2.gz PMEJMIUMYHYSGC-HZPDHXFCSA-N 2 2 376.505 -0.320 20 0 GBADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419136706 1073790857 /nfs/dbraw/zinc/79/08/57/1073790857.db2.gz PMEJMIUMYHYSGC-JKSUJKDBSA-N 2 2 376.505 -0.320 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419136751 1073790874 /nfs/dbraw/zinc/79/08/74/1073790874.db2.gz PNYMZOXPJXNIFR-INIZCTEOSA-N 2 2 388.516 -0.081 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419136752 1073790824 /nfs/dbraw/zinc/79/08/24/1073790824.db2.gz PNYMZOXPJXNIFR-MRXNPFEDSA-N 2 2 388.516 -0.081 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419136871 1073790055 /nfs/dbraw/zinc/79/00/55/1073790055.db2.gz PUMWVOCKPQLWCA-BRWVUGGUSA-N 2 2 388.516 -0.083 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419136873 1073790366 /nfs/dbraw/zinc/79/03/66/1073790366.db2.gz PUMWVOCKPQLWCA-IKGGRYGDSA-N 2 2 388.516 -0.083 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419136875 1073791029 /nfs/dbraw/zinc/79/10/29/1073791029.db2.gz PUMWVOCKPQLWCA-YESZJQIVSA-N 2 2 388.516 -0.083 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419136878 1073791078 /nfs/dbraw/zinc/79/10/78/1073791078.db2.gz PUMWVOCKPQLWCA-ZACQAIPSSA-N 2 2 388.516 -0.083 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419137107 1073790271 /nfs/dbraw/zinc/79/02/71/1073790271.db2.gz QCTHACROHDGDDZ-BBWFWOEESA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419137109 1073790005 /nfs/dbraw/zinc/79/00/05/1073790005.db2.gz QCTHACROHDGDDZ-BRWVUGGUSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419137111 1073790222 /nfs/dbraw/zinc/79/02/22/1073790222.db2.gz QCTHACROHDGDDZ-GVDBMIGSSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419137113 1073790168 /nfs/dbraw/zinc/79/01/68/1073790168.db2.gz QCTHACROHDGDDZ-ZACQAIPSSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419137185 1073790409 /nfs/dbraw/zinc/79/04/09/1073790409.db2.gz QFAXZFHFJCLPLI-BRWVUGGUSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419137187 1073790017 /nfs/dbraw/zinc/79/00/17/1073790017.db2.gz QFAXZFHFJCLPLI-IKGGRYGDSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419137189 1073789957 /nfs/dbraw/zinc/78/99/57/1073789957.db2.gz QFAXZFHFJCLPLI-IXDOHACOSA-N 2 2 388.516 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419137191 1073789880 /nfs/dbraw/zinc/78/98/80/1073789880.db2.gz QFAXZFHFJCLPLI-ZACQAIPSSA-N 2 2 388.516 -0.096 20 0 GBADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000419141153 1073791989 /nfs/dbraw/zinc/79/19/89/1073791989.db2.gz ASRDRHUHJDUUAV-CALCHBBNSA-N 2 2 386.500 -0.198 20 0 GBADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419142462 1073792105 /nfs/dbraw/zinc/79/21/05/1073792105.db2.gz YBHKJCMMYBOLKC-CVEARBPZSA-N 2 2 376.505 -0.178 20 0 GBADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419142464 1073792033 /nfs/dbraw/zinc/79/20/33/1073792033.db2.gz YBHKJCMMYBOLKC-HZPDHXFCSA-N 2 2 376.505 -0.178 20 0 GBADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419142548 1073792135 /nfs/dbraw/zinc/79/21/35/1073792135.db2.gz YIOGXRRPLLOLRT-INIZCTEOSA-N 2 2 376.505 -0.176 20 0 GBADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419142550 1073792298 /nfs/dbraw/zinc/79/22/98/1073792298.db2.gz YIOGXRRPLLOLRT-MRXNPFEDSA-N 2 2 376.505 -0.176 20 0 GBADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419143153 1073793049 /nfs/dbraw/zinc/79/30/49/1073793049.db2.gz YXVYADOPVROMBO-INIZCTEOSA-N 2 2 376.505 -0.224 20 0 GBADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000419143154 1073792993 /nfs/dbraw/zinc/79/29/93/1073792993.db2.gz YXVYADOPVROMBO-MRXNPFEDSA-N 2 2 376.505 -0.224 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419143674 1073793236 /nfs/dbraw/zinc/79/32/36/1073793236.db2.gz ZLKSRZVQRCZGJY-DLBZAZTESA-N 2 2 388.516 -0.033 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419143675 1073792925 /nfs/dbraw/zinc/79/29/25/1073792925.db2.gz ZLKSRZVQRCZGJY-IAGOWNOFSA-N 2 2 388.516 -0.033 20 0 GBADLP C[NH2+]CCN(C)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419144342 1072252038 /nfs/dbraw/zinc/25/20/38/1072252038.db2.gz GSCFLJGWZFCDGK-UHFFFAOYSA-N 2 2 378.473 -0.308 20 0 GBADLP [NH3+][C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000419144913 1073792903 /nfs/dbraw/zinc/79/29/03/1073792903.db2.gz HAICOAXBESUEFX-INIZCTEOSA-N 2 2 376.457 -0.427 20 0 GBADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000419144914 1073793170 /nfs/dbraw/zinc/79/31/70/1073793170.db2.gz HAICOAXBESUEFX-MRXNPFEDSA-N 2 2 376.457 -0.427 20 0 GBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419145369 1073792869 /nfs/dbraw/zinc/79/28/69/1073792869.db2.gz HKJWXERGBRBPHV-INIZCTEOSA-N 2 2 390.484 -0.166 20 0 GBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419145385 1073793206 /nfs/dbraw/zinc/79/32/06/1073793206.db2.gz HKJWXERGBRBPHV-MRXNPFEDSA-N 2 2 390.484 -0.166 20 0 GBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CC[NH2+]CC1 ZINC000419145611 1073792826 /nfs/dbraw/zinc/79/28/26/1073792826.db2.gz HQLKVBHJSSRJHJ-UHFFFAOYSA-N 2 2 376.457 -0.554 20 0 GBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419146275 1073794035 /nfs/dbraw/zinc/79/40/35/1073794035.db2.gz IFBVLCBTTDRJNW-KRWDZBQOSA-N 2 2 390.484 -0.118 20 0 GBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419146278 1073793960 /nfs/dbraw/zinc/79/39/60/1073793960.db2.gz IFBVLCBTTDRJNW-QGZVFWFLSA-N 2 2 390.484 -0.118 20 0 GBADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419146316 1073793879 /nfs/dbraw/zinc/79/38/79/1073793879.db2.gz IIQOZXGKRUIKAY-QGZVFWFLSA-N 2 2 390.484 -0.037 20 0 GBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CC[NH2+]CC1 ZINC000419146790 1073793721 /nfs/dbraw/zinc/79/37/21/1073793721.db2.gz IMNDDLBVLQPELJ-UHFFFAOYSA-N 2 2 376.457 -0.554 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000419147720 1073791001 /nfs/dbraw/zinc/79/10/01/1073791001.db2.gz JNGDETCYZDYJDO-INIZCTEOSA-N 2 2 390.484 -0.166 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000419147722 1073790904 /nfs/dbraw/zinc/79/09/04/1073790904.db2.gz JNGDETCYZDYJDO-MRXNPFEDSA-N 2 2 390.484 -0.166 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC000419148708 1073791167 /nfs/dbraw/zinc/79/11/67/1073791167.db2.gz KGSKHJCHOMGQOP-CRAIPNDOSA-N 2 2 390.484 -0.181 20 0 GBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419148752 1073791470 /nfs/dbraw/zinc/79/14/70/1073791470.db2.gz KNABGCJUZNJVQF-INIZCTEOSA-N 2 2 390.484 -0.166 20 0 GBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419148753 1073791284 /nfs/dbraw/zinc/79/12/84/1073791284.db2.gz KNABGCJUZNJVQF-MRXNPFEDSA-N 2 2 390.484 -0.166 20 0 GBADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000419150178 1073790929 /nfs/dbraw/zinc/79/09/29/1073790929.db2.gz LZKSEJRQHVAKPO-KRWDZBQOSA-N 2 2 390.484 -0.037 20 0 GBADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000419150180 1073791052 /nfs/dbraw/zinc/79/10/52/1073791052.db2.gz LZKSEJRQHVAKPO-QGZVFWFLSA-N 2 2 390.484 -0.037 20 0 GBADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419151093 1073791422 /nfs/dbraw/zinc/79/14/22/1073791422.db2.gz NAMNNJGEFBKPKQ-HNNXBMFYSA-N 2 2 378.473 -0.181 20 0 GBADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419151095 1073791344 /nfs/dbraw/zinc/79/13/44/1073791344.db2.gz NAMNNJGEFBKPKQ-OAHLLOKOSA-N 2 2 378.473 -0.181 20 0 GBADLP CC(C)([NH3+])CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419151776 1073790845 /nfs/dbraw/zinc/79/08/45/1073790845.db2.gz NTCUONXSZIDHRB-UHFFFAOYSA-N 2 2 378.473 -0.133 20 0 GBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419153685 1073798458 /nfs/dbraw/zinc/79/84/58/1073798458.db2.gz PYIJNPVICIDRBP-KRWDZBQOSA-N 2 2 390.484 -0.118 20 0 GBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419153687 1073798501 /nfs/dbraw/zinc/79/85/01/1073798501.db2.gz PYIJNPVICIDRBP-QGZVFWFLSA-N 2 2 390.484 -0.118 20 0 GBADLP [NH3+][C@H](CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000419153994 1073793939 /nfs/dbraw/zinc/79/39/39/1073793939.db2.gz QKKDPTCFZKKSSF-GOSISDBHSA-N 2 2 390.484 -0.133 20 0 GBADLP [NH3+][C@@H](CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000419153996 1073794004 /nfs/dbraw/zinc/79/40/04/1073794004.db2.gz QKKDPTCFZKKSSF-SFHVURJKSA-N 2 2 390.484 -0.133 20 0 GBADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000419154025 1073792262 /nfs/dbraw/zinc/79/22/62/1073792262.db2.gz QQEVTELBDUBJJQ-QGZVFWFLSA-N 2 2 390.484 -0.037 20 0 GBADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000419154989 1073799467 /nfs/dbraw/zinc/79/94/67/1073799467.db2.gz SEEHUAXGIZQNRJ-KRWDZBQOSA-N 2 2 390.484 -0.166 20 0 GBADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000419154990 1073799128 /nfs/dbraw/zinc/79/91/28/1073799128.db2.gz SEEHUAXGIZQNRJ-QGZVFWFLSA-N 2 2 390.484 -0.166 20 0 GBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCC[NH2+]CC1 ZINC000419155000 1073799295 /nfs/dbraw/zinc/79/92/95/1073799295.db2.gz SHJGLZQQTIWRIT-UHFFFAOYSA-N 2 2 390.484 -0.164 20 0 GBADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000419155433 1073798588 /nfs/dbraw/zinc/79/85/88/1073798588.db2.gz TTZJYRKCFXZVGF-KRWDZBQOSA-N 2 2 390.484 -0.166 20 0 GBADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000419155436 1073798087 /nfs/dbraw/zinc/79/80/87/1073798087.db2.gz TTZJYRKCFXZVGF-QGZVFWFLSA-N 2 2 390.484 -0.166 20 0 GBADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000419155711 1073793895 /nfs/dbraw/zinc/79/38/95/1073793895.db2.gz UIAAJUDMNJLBOR-KRWDZBQOSA-N 2 2 390.484 -0.133 20 0 GBADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000419155712 1073793767 /nfs/dbraw/zinc/79/37/67/1073793767.db2.gz UIAAJUDMNJLBOR-QGZVFWFLSA-N 2 2 390.484 -0.133 20 0 GBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCC[NH2+]CC1 ZINC000419155786 1073799239 /nfs/dbraw/zinc/79/92/39/1073799239.db2.gz UNIPSCBNZNHROU-UHFFFAOYSA-N 2 2 390.484 -0.164 20 0 GBADLP [NH3+][C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000419156457 1073799279 /nfs/dbraw/zinc/79/92/79/1073799279.db2.gz VFGBCHPUPJIDHB-INIZCTEOSA-N 2 2 376.457 -0.427 20 0 GBADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000419156459 1073799346 /nfs/dbraw/zinc/79/93/46/1073799346.db2.gz VFGBCHPUPJIDHB-MRXNPFEDSA-N 2 2 376.457 -0.427 20 0 GBADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419156797 1073794938 /nfs/dbraw/zinc/79/49/38/1073794938.db2.gz VOKKGVDFXQSOEK-HNNXBMFYSA-N 2 2 378.473 -0.181 20 0 GBADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419156798 1073795093 /nfs/dbraw/zinc/79/50/93/1073795093.db2.gz VOKKGVDFXQSOEK-OAHLLOKOSA-N 2 2 378.473 -0.181 20 0 GBADLP [NH3+][C@@H](CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000419157235 1073793784 /nfs/dbraw/zinc/79/37/84/1073793784.db2.gz WDMIMXBBMPBQJP-KRWDZBQOSA-N 2 2 390.484 -0.133 20 0 GBADLP [NH3+][C@H](CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000419157236 1073793921 /nfs/dbraw/zinc/79/39/21/1073793921.db2.gz WDMIMXBBMPBQJP-QGZVFWFLSA-N 2 2 390.484 -0.133 20 0 GBADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000419157409 1073793830 /nfs/dbraw/zinc/79/38/30/1073793830.db2.gz WNFRODDIVBEOGX-KRWDZBQOSA-N 2 2 390.484 -0.037 20 0 GBADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000419157418 1073793844 /nfs/dbraw/zinc/79/38/44/1073793844.db2.gz WNFRODDIVBEOGX-QGZVFWFLSA-N 2 2 390.484 -0.037 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000419157903 1073794818 /nfs/dbraw/zinc/79/48/18/1073794818.db2.gz XAPHAQAITZTYQT-INIZCTEOSA-N 2 2 390.484 -0.166 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000419157904 1073795078 /nfs/dbraw/zinc/79/50/78/1073795078.db2.gz XAPHAQAITZTYQT-MRXNPFEDSA-N 2 2 390.484 -0.166 20 0 GBADLP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419157966 1073795002 /nfs/dbraw/zinc/79/50/02/1073795002.db2.gz XBHGXFYZFBQIQM-HNNXBMFYSA-N 2 2 378.473 -0.275 20 0 GBADLP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000419157968 1073795023 /nfs/dbraw/zinc/79/50/23/1073795023.db2.gz XBHGXFYZFBQIQM-OAHLLOKOSA-N 2 2 378.473 -0.275 20 0 GBADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000419157985 1073794787 /nfs/dbraw/zinc/79/47/87/1073794787.db2.gz XBUUXUZJQIGUDT-GOSISDBHSA-N 2 2 390.484 -0.133 20 0 GBADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000419157988 1073794755 /nfs/dbraw/zinc/79/47/55/1073794755.db2.gz XBUUXUZJQIGUDT-SFHVURJKSA-N 2 2 390.484 -0.133 20 0 GBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419158420 1073795061 /nfs/dbraw/zinc/79/50/61/1073795061.db2.gz XPIWBJFDHXAHAA-KRWDZBQOSA-N 2 2 390.484 -0.118 20 0 GBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419158423 1073794708 /nfs/dbraw/zinc/79/47/08/1073794708.db2.gz XPIWBJFDHXAHAA-QGZVFWFLSA-N 2 2 390.484 -0.118 20 0 GBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419159493 1073794924 /nfs/dbraw/zinc/79/49/24/1073794924.db2.gz ZIRLMEDCKOTZMV-KRWDZBQOSA-N 2 2 390.484 -0.118 20 0 GBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419159494 1073794483 /nfs/dbraw/zinc/79/44/83/1073794483.db2.gz ZIRLMEDCKOTZMV-QGZVFWFLSA-N 2 2 390.484 -0.118 20 0 GBADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000419174893 1073801327 /nfs/dbraw/zinc/80/13/27/1073801327.db2.gz WZMUIQABBZIOOC-UHFFFAOYSA-N 2 2 391.463 -0.561 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000419197065 1073807646 /nfs/dbraw/zinc/80/76/46/1073807646.db2.gz BOPMFFNHERENKZ-HNNXBMFYSA-N 2 2 387.484 -0.489 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000419197066 1073807418 /nfs/dbraw/zinc/80/74/18/1073807418.db2.gz BOPMFFNHERENKZ-OAHLLOKOSA-N 2 2 387.484 -0.489 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)CC2 ZINC000419208400 1073823687 /nfs/dbraw/zinc/82/36/87/1073823687.db2.gz AFHCGPWDCCFKJO-HNNXBMFYSA-N 2 2 376.457 -0.262 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)CC2 ZINC000419208400 1073823676 /nfs/dbraw/zinc/82/36/76/1073823676.db2.gz AFHCGPWDCCFKJO-HNNXBMFYSA-N 2 2 376.457 -0.262 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)CC2 ZINC000419208401 1073823801 /nfs/dbraw/zinc/82/38/01/1073823801.db2.gz AFHCGPWDCCFKJO-OAHLLOKOSA-N 2 2 376.457 -0.262 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)CC2 ZINC000419208401 1073823788 /nfs/dbraw/zinc/82/37/88/1073823788.db2.gz AFHCGPWDCCFKJO-OAHLLOKOSA-N 2 2 376.457 -0.262 20 0 GBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000419214123 1073841374 /nfs/dbraw/zinc/84/13/74/1073841374.db2.gz MIRNNUQUZJIJST-HNNXBMFYSA-N 2 2 387.484 -0.489 20 0 GBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000419214124 1073841235 /nfs/dbraw/zinc/84/12/35/1073841235.db2.gz MIRNNUQUZJIJST-OAHLLOKOSA-N 2 2 387.484 -0.489 20 0 GBADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000419224718 1073865097 /nfs/dbraw/zinc/86/50/97/1073865097.db2.gz BSLCIYLCQSFCJN-INIZCTEOSA-N 2 2 390.484 -0.002 20 0 GBADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000419224718 1073865085 /nfs/dbraw/zinc/86/50/85/1073865085.db2.gz BSLCIYLCQSFCJN-INIZCTEOSA-N 2 2 390.484 -0.002 20 0 GBADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000419224719 1073866200 /nfs/dbraw/zinc/86/62/00/1073866200.db2.gz BSLCIYLCQSFCJN-MRXNPFEDSA-N 2 2 390.484 -0.002 20 0 GBADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000419224719 1073866191 /nfs/dbraw/zinc/86/61/91/1073866191.db2.gz BSLCIYLCQSFCJN-MRXNPFEDSA-N 2 2 390.484 -0.002 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)CC2 ZINC000419225962 1073867073 /nfs/dbraw/zinc/86/70/73/1073867073.db2.gz CZPBFKPRQGGNPN-AWEZNQCLSA-N 2 2 390.484 -0.015 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)CC2 ZINC000419225962 1073867063 /nfs/dbraw/zinc/86/70/63/1073867063.db2.gz CZPBFKPRQGGNPN-AWEZNQCLSA-N 2 2 390.484 -0.015 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)CC2 ZINC000419225963 1073867360 /nfs/dbraw/zinc/86/73/60/1073867360.db2.gz CZPBFKPRQGGNPN-CQSZACIVSA-N 2 2 390.484 -0.015 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)CC2 ZINC000419225963 1073867350 /nfs/dbraw/zinc/86/73/50/1073867350.db2.gz CZPBFKPRQGGNPN-CQSZACIVSA-N 2 2 390.484 -0.015 20 0 GBADLP C[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419226206 1073866054 /nfs/dbraw/zinc/86/60/54/1073866054.db2.gz DEDXNRNVAWBLHD-UHFFFAOYSA-N 2 2 378.473 -0.096 20 0 GBADLP C[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419226206 1073866046 /nfs/dbraw/zinc/86/60/46/1073866046.db2.gz DEDXNRNVAWBLHD-UHFFFAOYSA-N 2 2 378.473 -0.096 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH3+])CC2 ZINC000419226684 1073865330 /nfs/dbraw/zinc/86/53/30/1073865330.db2.gz DLFAAMKXFFVKKP-CYBMUJFWSA-N 2 2 378.473 -0.111 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NC[C@H](C)C[NH3+])CC2 ZINC000419226684 1073865318 /nfs/dbraw/zinc/86/53/18/1073865318.db2.gz DLFAAMKXFFVKKP-CYBMUJFWSA-N 2 2 378.473 -0.111 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC2 ZINC000419226686 1073864970 /nfs/dbraw/zinc/86/49/70/1073864970.db2.gz DLFAAMKXFFVKKP-ZDUSSCGKSA-N 2 2 378.473 -0.111 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC2 ZINC000419226686 1073864961 /nfs/dbraw/zinc/86/49/61/1073864961.db2.gz DLFAAMKXFFVKKP-ZDUSSCGKSA-N 2 2 378.473 -0.111 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)CC2 ZINC000419229022 1073871316 /nfs/dbraw/zinc/87/13/16/1073871316.db2.gz HFGDBVZHKBPGKZ-AWEZNQCLSA-N 2 2 390.484 -0.002 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)CC2 ZINC000419229022 1073871302 /nfs/dbraw/zinc/87/13/02/1073871302.db2.gz HFGDBVZHKBPGKZ-AWEZNQCLSA-N 2 2 390.484 -0.002 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)CC2 ZINC000419229023 1073871980 /nfs/dbraw/zinc/87/19/80/1073871980.db2.gz HFGDBVZHKBPGKZ-CQSZACIVSA-N 2 2 390.484 -0.002 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)CC2 ZINC000419229023 1073871961 /nfs/dbraw/zinc/87/19/61/1073871961.db2.gz HFGDBVZHKBPGKZ-CQSZACIVSA-N 2 2 390.484 -0.002 20 0 GBADLP C[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419230891 1073871595 /nfs/dbraw/zinc/87/15/95/1073871595.db2.gz JEDIPSDCMYZTGC-CYBMUJFWSA-N 2 2 378.473 -0.098 20 0 GBADLP C[NH2+][C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419230891 1073871586 /nfs/dbraw/zinc/87/15/86/1073871586.db2.gz JEDIPSDCMYZTGC-CYBMUJFWSA-N 2 2 378.473 -0.098 20 0 GBADLP C[NH2+][C@@H](C)CNC(=O)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419230892 1073871410 /nfs/dbraw/zinc/87/14/10/1073871410.db2.gz JEDIPSDCMYZTGC-ZDUSSCGKSA-N 2 2 378.473 -0.098 20 0 GBADLP C[NH2+][C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419230892 1073871400 /nfs/dbraw/zinc/87/14/00/1073871400.db2.gz JEDIPSDCMYZTGC-ZDUSSCGKSA-N 2 2 378.473 -0.098 20 0 GBADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419231352 1073872056 /nfs/dbraw/zinc/87/20/56/1073872056.db2.gz ZOXWMWSKVIHMSV-INIZCTEOSA-N 2 2 377.489 -0.823 20 0 GBADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419231352 1073872041 /nfs/dbraw/zinc/87/20/41/1073872041.db2.gz ZOXWMWSKVIHMSV-INIZCTEOSA-N 2 2 377.489 -0.823 20 0 GBADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419231353 1073871571 /nfs/dbraw/zinc/87/15/71/1073871571.db2.gz ZOXWMWSKVIHMSV-MRXNPFEDSA-N 2 2 377.489 -0.823 20 0 GBADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419231353 1073871564 /nfs/dbraw/zinc/87/15/64/1073871564.db2.gz ZOXWMWSKVIHMSV-MRXNPFEDSA-N 2 2 377.489 -0.823 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)CC2 ZINC000419232123 1073872759 /nfs/dbraw/zinc/87/27/59/1073872759.db2.gz KMRNXKKYUBQELM-AWEZNQCLSA-N 2 2 390.484 -0.002 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)CC2 ZINC000419232123 1073872747 /nfs/dbraw/zinc/87/27/47/1073872747.db2.gz KMRNXKKYUBQELM-AWEZNQCLSA-N 2 2 390.484 -0.002 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)CC2 ZINC000419232124 1073873505 /nfs/dbraw/zinc/87/35/05/1073873505.db2.gz KMRNXKKYUBQELM-CQSZACIVSA-N 2 2 390.484 -0.002 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)CC2 ZINC000419232124 1073873497 /nfs/dbraw/zinc/87/34/97/1073873497.db2.gz KMRNXKKYUBQELM-CQSZACIVSA-N 2 2 390.484 -0.002 20 0 GBADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419232162 1073873236 /nfs/dbraw/zinc/87/32/36/1073873236.db2.gz DREOVJHAYNBPJA-INIZCTEOSA-N 2 2 398.467 -0.379 20 0 GBADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419232163 1073872885 /nfs/dbraw/zinc/87/28/85/1073872885.db2.gz DREOVJHAYNBPJA-MRXNPFEDSA-N 2 2 398.467 -0.379 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)CC2 ZINC000419236216 1073874650 /nfs/dbraw/zinc/87/46/50/1073874650.db2.gz NREJVHMKCUOYIM-BBRMVZONSA-N 2 2 390.484 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)CC2 ZINC000419236216 1073874638 /nfs/dbraw/zinc/87/46/38/1073874638.db2.gz NREJVHMKCUOYIM-BBRMVZONSA-N 2 2 390.484 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)CC2 ZINC000419236218 1073875771 /nfs/dbraw/zinc/87/57/71/1073875771.db2.gz NREJVHMKCUOYIM-CJNGLKHVSA-N 2 2 390.484 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)CC2 ZINC000419236218 1073875757 /nfs/dbraw/zinc/87/57/57/1073875757.db2.gz NREJVHMKCUOYIM-CJNGLKHVSA-N 2 2 390.484 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CC2 ZINC000419236220 1073875792 /nfs/dbraw/zinc/87/57/92/1073875792.db2.gz NREJVHMKCUOYIM-CZUORRHYSA-N 2 2 390.484 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CC2 ZINC000419236220 1073875784 /nfs/dbraw/zinc/87/57/84/1073875784.db2.gz NREJVHMKCUOYIM-CZUORRHYSA-N 2 2 390.484 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)CC2 ZINC000419236221 1073875583 /nfs/dbraw/zinc/87/55/83/1073875583.db2.gz NREJVHMKCUOYIM-XJKSGUPXSA-N 2 2 390.484 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)CC2 ZINC000419236221 1073875570 /nfs/dbraw/zinc/87/55/70/1073875570.db2.gz NREJVHMKCUOYIM-XJKSGUPXSA-N 2 2 390.484 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2 ZINC000419237899 1073876415 /nfs/dbraw/zinc/87/64/15/1073876415.db2.gz PFLZYUJDGXOELO-CYBMUJFWSA-N 2 2 378.473 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2 ZINC000419237899 1073876412 /nfs/dbraw/zinc/87/64/12/1073876412.db2.gz PFLZYUJDGXOELO-CYBMUJFWSA-N 2 2 378.473 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2 ZINC000419237901 1073876630 /nfs/dbraw/zinc/87/66/30/1073876630.db2.gz PFLZYUJDGXOELO-ZDUSSCGKSA-N 2 2 378.473 -0.016 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2 ZINC000419237901 1073876617 /nfs/dbraw/zinc/87/66/17/1073876617.db2.gz PFLZYUJDGXOELO-ZDUSSCGKSA-N 2 2 378.473 -0.016 20 0 GBADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000419239614 1073877240 /nfs/dbraw/zinc/87/72/40/1073877240.db2.gz NZKJBVBWOMZITF-HNNXBMFYSA-N 2 2 386.456 -0.203 20 0 GBADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000419239615 1073878010 /nfs/dbraw/zinc/87/80/10/1073878010.db2.gz NZKJBVBWOMZITF-OAHLLOKOSA-N 2 2 386.456 -0.203 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)CC2 ZINC000419241011 1073878956 /nfs/dbraw/zinc/87/89/56/1073878956.db2.gz RNIPWBDUWSKQDG-HNNXBMFYSA-N 2 2 376.457 -0.344 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)CC2 ZINC000419241011 1073878943 /nfs/dbraw/zinc/87/89/43/1073878943.db2.gz RNIPWBDUWSKQDG-HNNXBMFYSA-N 2 2 376.457 -0.344 20 0 GBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)CC2 ZINC000419241012 1073879278 /nfs/dbraw/zinc/87/92/78/1073879278.db2.gz RNIPWBDUWSKQDG-OAHLLOKOSA-N 2 2 376.457 -0.344 20 0 GBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)CC2 ZINC000419241012 1073879271 /nfs/dbraw/zinc/87/92/71/1073879271.db2.gz RNIPWBDUWSKQDG-OAHLLOKOSA-N 2 2 376.457 -0.344 20 0 GBADLP CC[NH2+]CCNC(=O)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419244730 1073880548 /nfs/dbraw/zinc/88/05/48/1073880548.db2.gz VMLAWWCDZMIBKR-UHFFFAOYSA-N 2 2 378.473 -0.096 20 0 GBADLP CC[NH2+]CCNC(=O)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000419244730 1073880542 /nfs/dbraw/zinc/88/05/42/1073880542.db2.gz VMLAWWCDZMIBKR-UHFFFAOYSA-N 2 2 378.473 -0.096 20 0 GBADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000419301230 1073898941 /nfs/dbraw/zinc/89/89/41/1073898941.db2.gz KPFVKWAXDHJZCW-CKEIUWERSA-N 2 2 396.438 -0.027 20 0 GBADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000419301230 1073898929 /nfs/dbraw/zinc/89/89/29/1073898929.db2.gz KPFVKWAXDHJZCW-CKEIUWERSA-N 2 2 396.438 -0.027 20 0 GBADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000419301231 1073898712 /nfs/dbraw/zinc/89/87/12/1073898712.db2.gz KPFVKWAXDHJZCW-CPUCHLNUSA-N 2 2 396.438 -0.027 20 0 GBADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000419301231 1073898704 /nfs/dbraw/zinc/89/87/04/1073898704.db2.gz KPFVKWAXDHJZCW-CPUCHLNUSA-N 2 2 396.438 -0.027 20 0 GBADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000419301232 1073899561 /nfs/dbraw/zinc/89/95/61/1073899561.db2.gz KPFVKWAXDHJZCW-JKIFEVAISA-N 2 2 396.438 -0.027 20 0 GBADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000419301232 1073899554 /nfs/dbraw/zinc/89/95/54/1073899554.db2.gz KPFVKWAXDHJZCW-JKIFEVAISA-N 2 2 396.438 -0.027 20 0 GBADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000419301233 1073898692 /nfs/dbraw/zinc/89/86/92/1073898692.db2.gz KPFVKWAXDHJZCW-KEYYUXOJSA-N 2 2 396.438 -0.027 20 0 GBADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000419301233 1073898684 /nfs/dbraw/zinc/89/86/84/1073898684.db2.gz KPFVKWAXDHJZCW-KEYYUXOJSA-N 2 2 396.438 -0.027 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C[NH+]1CCOCC1 ZINC000419301407 1073899526 /nfs/dbraw/zinc/89/95/26/1073899526.db2.gz NXBPHFWGAVETHV-DOTOQJQBSA-N 2 2 375.473 -0.361 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C[NH+]1CCOCC1 ZINC000419301408 1073899371 /nfs/dbraw/zinc/89/93/71/1073899371.db2.gz NXBPHFWGAVETHV-NVXWUHKLSA-N 2 2 375.473 -0.361 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C[NH+]1CCOCC1 ZINC000419301409 1073899243 /nfs/dbraw/zinc/89/92/43/1073899243.db2.gz NXBPHFWGAVETHV-RDJZCZTQSA-N 2 2 375.473 -0.361 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C[NH+]1CCOCC1 ZINC000419301410 1073899156 /nfs/dbraw/zinc/89/91/56/1073899156.db2.gz NXBPHFWGAVETHV-WBVHZDCISA-N 2 2 375.473 -0.361 20 0 GBADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000419301548 1073898884 /nfs/dbraw/zinc/89/88/84/1073898884.db2.gz LEHCSSQRHQQCGK-BZSNNMDCSA-N 2 2 390.484 -0.296 20 0 GBADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000419301548 1073898878 /nfs/dbraw/zinc/89/88/78/1073898878.db2.gz LEHCSSQRHQQCGK-BZSNNMDCSA-N 2 2 390.484 -0.296 20 0 GBADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000419301549 1073898648 /nfs/dbraw/zinc/89/86/48/1073898648.db2.gz LEHCSSQRHQQCGK-FGTMMUONSA-N 2 2 390.484 -0.296 20 0 GBADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000419301549 1073898638 /nfs/dbraw/zinc/89/86/38/1073898638.db2.gz LEHCSSQRHQQCGK-FGTMMUONSA-N 2 2 390.484 -0.296 20 0 GBADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000419301550 1073899431 /nfs/dbraw/zinc/89/94/31/1073899431.db2.gz LEHCSSQRHQQCGK-OKZBNKHCSA-N 2 2 390.484 -0.296 20 0 GBADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000419301550 1073899425 /nfs/dbraw/zinc/89/94/25/1073899425.db2.gz LEHCSSQRHQQCGK-OKZBNKHCSA-N 2 2 390.484 -0.296 20 0 GBADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000419301551 1073899474 /nfs/dbraw/zinc/89/94/74/1073899474.db2.gz LEHCSSQRHQQCGK-SQNIBIBYSA-N 2 2 390.484 -0.296 20 0 GBADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000419301551 1073899459 /nfs/dbraw/zinc/89/94/59/1073899459.db2.gz LEHCSSQRHQQCGK-SQNIBIBYSA-N 2 2 390.484 -0.296 20 0 GBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419343104 1073913975 /nfs/dbraw/zinc/91/39/75/1073913975.db2.gz DZSFGGMXYOPXLD-HNNXBMFYSA-N 2 2 388.472 -0.943 20 0 GBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419343105 1073914007 /nfs/dbraw/zinc/91/40/07/1073914007.db2.gz DZSFGGMXYOPXLD-OAHLLOKOSA-N 2 2 388.472 -0.943 20 0 GBADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419346020 1073917118 /nfs/dbraw/zinc/91/71/18/1073917118.db2.gz MIGLJADGRACROF-OAHLLOKOSA-N 2 2 390.488 -0.649 20 0 GBADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419348929 1073917993 /nfs/dbraw/zinc/91/79/93/1073917993.db2.gz CKDSTOJCRXLHQW-UHFFFAOYSA-N 3 2 384.431 -0.580 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000419349356 1073918527 /nfs/dbraw/zinc/91/85/27/1073918527.db2.gz UDHFOAMFGFPCKR-HNNXBMFYSA-N 2 2 388.472 -0.943 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000419349357 1073917922 /nfs/dbraw/zinc/91/79/22/1073917922.db2.gz UDHFOAMFGFPCKR-OAHLLOKOSA-N 2 2 388.472 -0.943 20 0 GBADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000419349401 1073918157 /nfs/dbraw/zinc/91/81/57/1073918157.db2.gz UKQBWFDISLWTMG-OAHLLOKOSA-N 2 2 388.472 -0.814 20 0 GBADLP CCC[NH2+]CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419349789 1073916909 /nfs/dbraw/zinc/91/69/09/1073916909.db2.gz VCYVNPZTHGTKLD-UHFFFAOYSA-N 2 2 390.488 -0.648 20 0 GBADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419350954 1073919169 /nfs/dbraw/zinc/91/91/69/1073919169.db2.gz XSCJRJTWZDBJJS-HNNXBMFYSA-N 2 2 390.488 -0.664 20 0 GBADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419350957 1073919043 /nfs/dbraw/zinc/91/90/43/1073919043.db2.gz XSCJRJTWZDBJJS-OAHLLOKOSA-N 2 2 390.488 -0.664 20 0 GBADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397672 1072161111 /nfs/dbraw/zinc/16/11/11/1072161111.db2.gz YHVQQJQDUPLNLQ-CVEARBPZSA-N 2 2 398.891 -0.393 20 0 GBADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397672 1072161106 /nfs/dbraw/zinc/16/11/06/1072161106.db2.gz YHVQQJQDUPLNLQ-CVEARBPZSA-N 2 2 398.891 -0.393 20 0 GBADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397673 1072159693 /nfs/dbraw/zinc/15/96/93/1072159693.db2.gz YHVQQJQDUPLNLQ-HOTGVXAUSA-N 2 2 398.891 -0.393 20 0 GBADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397673 1072159683 /nfs/dbraw/zinc/15/96/83/1072159683.db2.gz YHVQQJQDUPLNLQ-HOTGVXAUSA-N 2 2 398.891 -0.393 20 0 GBADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397674 1072158732 /nfs/dbraw/zinc/15/87/32/1072158732.db2.gz YHVQQJQDUPLNLQ-HZPDHXFCSA-N 2 2 398.891 -0.393 20 0 GBADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397674 1072158727 /nfs/dbraw/zinc/15/87/27/1072158727.db2.gz YHVQQJQDUPLNLQ-HZPDHXFCSA-N 2 2 398.891 -0.393 20 0 GBADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397675 1072158687 /nfs/dbraw/zinc/15/86/87/1072158687.db2.gz YHVQQJQDUPLNLQ-JKSUJKDBSA-N 2 2 398.891 -0.393 20 0 GBADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397675 1072158681 /nfs/dbraw/zinc/15/86/81/1072158681.db2.gz YHVQQJQDUPLNLQ-JKSUJKDBSA-N 2 2 398.891 -0.393 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419486862 1072174008 /nfs/dbraw/zinc/17/40/08/1072174008.db2.gz AKFMMIRTTKGDCY-IYBDPMFKSA-N 2 2 389.475 -0.258 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000419486912 1072173979 /nfs/dbraw/zinc/17/39/79/1072173979.db2.gz ALSBUDLOLFCBCC-KRWDZBQOSA-N 2 2 393.463 -0.750 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000419486920 1072173883 /nfs/dbraw/zinc/17/38/83/1072173883.db2.gz ALSBUDLOLFCBCC-QGZVFWFLSA-N 2 2 393.463 -0.750 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419501470 1072171987 /nfs/dbraw/zinc/17/19/87/1072171987.db2.gz DTZNQYCMDHLXBS-INIZCTEOSA-N 2 2 377.464 -0.068 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419501482 1072171777 /nfs/dbraw/zinc/17/17/77/1072171777.db2.gz DTZNQYCMDHLXBS-MRXNPFEDSA-N 2 2 377.464 -0.068 20 0 GBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419502547 1072172232 /nfs/dbraw/zinc/17/22/32/1072172232.db2.gz GBEHKRUTTBSQIY-HNNXBMFYSA-N 2 2 377.464 -0.116 20 0 GBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419502548 1072171819 /nfs/dbraw/zinc/17/18/19/1072171819.db2.gz GBEHKRUTTBSQIY-OAHLLOKOSA-N 2 2 377.464 -0.116 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419503341 1072173079 /nfs/dbraw/zinc/17/30/79/1072173079.db2.gz HBBTXZACRPPSLK-INIZCTEOSA-N 2 2 377.464 -0.068 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419503344 1072172851 /nfs/dbraw/zinc/17/28/51/1072172851.db2.gz HBBTXZACRPPSLK-MRXNPFEDSA-N 2 2 377.464 -0.068 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503903 1072171977 /nfs/dbraw/zinc/17/19/77/1072171977.db2.gz ISJPPAJUZOISQZ-HNNXBMFYSA-N 2 2 377.464 -0.116 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503904 1072171842 /nfs/dbraw/zinc/17/18/42/1072171842.db2.gz ISJPPAJUZOISQZ-OAHLLOKOSA-N 2 2 377.464 -0.116 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000419504178 1072173207 /nfs/dbraw/zinc/17/32/07/1072173207.db2.gz IYBVYYQHTKEJKE-RHSMWYFYSA-N 2 2 377.464 -0.131 20 0 GBADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419504899 1072173093 /nfs/dbraw/zinc/17/30/93/1072173093.db2.gz KQOCCMOTJRDSSN-HNNXBMFYSA-N 2 2 377.464 -0.129 20 0 GBADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419504900 1072173171 /nfs/dbraw/zinc/17/31/71/1072173171.db2.gz KQOCCMOTJRDSSN-OAHLLOKOSA-N 2 2 377.464 -0.129 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419505177 1072173144 /nfs/dbraw/zinc/17/31/44/1072173144.db2.gz LFCSYNOEWKBUST-QAPCUYQASA-N 2 2 389.475 -0.116 20 0 GBADLP [NH3+]C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000419505181 1072172828 /nfs/dbraw/zinc/17/28/28/1072172828.db2.gz LFYJAQSTTYDOCJ-KRWDZBQOSA-N 2 2 377.464 -0.083 20 0 GBADLP [NH3+]C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000419505182 1072172812 /nfs/dbraw/zinc/17/28/12/1072172812.db2.gz LFYJAQSTTYDOCJ-QGZVFWFLSA-N 2 2 377.464 -0.083 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419505243 1072172983 /nfs/dbraw/zinc/17/29/83/1072172983.db2.gz LJIKCBBQUVAIME-UHFFFAOYSA-N 2 2 377.464 -0.114 20 0 GBADLP [NH3+][C@@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000419505644 1072172837 /nfs/dbraw/zinc/17/28/37/1072172837.db2.gz MCTRMGZOGDRDEP-KRWDZBQOSA-N 2 2 377.464 -0.083 20 0 GBADLP [NH3+][C@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000419505645 1072172821 /nfs/dbraw/zinc/17/28/21/1072172821.db2.gz MCTRMGZOGDRDEP-QGZVFWFLSA-N 2 2 377.464 -0.083 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419506732 1072172870 /nfs/dbraw/zinc/17/28/70/1072172870.db2.gz NTJMKKVDBIKOAH-UHFFFAOYSA-N 2 2 377.464 -0.068 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419508054 1072173958 /nfs/dbraw/zinc/17/39/58/1072173958.db2.gz QJFSLGUDJSCUIL-KRWDZBQOSA-N 2 2 393.463 -0.832 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419508055 1072173825 /nfs/dbraw/zinc/17/38/25/1072173825.db2.gz QJFSLGUDJSCUIL-QGZVFWFLSA-N 2 2 393.463 -0.832 20 0 GBADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419511338 1072174967 /nfs/dbraw/zinc/17/49/67/1072174967.db2.gz VJWAHYNDIBYTSP-INIZCTEOSA-N 2 2 377.464 -0.116 20 0 GBADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419511339 1072175110 /nfs/dbraw/zinc/17/51/10/1072175110.db2.gz VJWAHYNDIBYTSP-MRXNPFEDSA-N 2 2 377.464 -0.116 20 0 GBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCC)CC1 ZINC000419570085 1072183201 /nfs/dbraw/zinc/18/32/01/1072183201.db2.gz UPMSANHGTBCLAJ-INIZCTEOSA-N 2 2 381.521 -0.306 20 0 GBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2CCC)CC1 ZINC000419570086 1072182830 /nfs/dbraw/zinc/18/28/30/1072182830.db2.gz UPMSANHGTBCLAJ-MRXNPFEDSA-N 2 2 381.521 -0.306 20 0 GBADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000419647925 1072187584 /nfs/dbraw/zinc/18/75/84/1072187584.db2.gz MEHRVDZPJPTPPH-AWEZNQCLSA-N 2 2 376.461 -0.687 20 0 GBADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000419647926 1072187231 /nfs/dbraw/zinc/18/72/31/1072187231.db2.gz MEHRVDZPJPTPPH-CQSZACIVSA-N 2 2 376.461 -0.687 20 0 GBADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419649941 1072187489 /nfs/dbraw/zinc/18/74/89/1072187489.db2.gz NQNYOXYNONKVJR-HNNXBMFYSA-N 2 2 390.488 -0.154 20 0 GBADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419649946 1072187263 /nfs/dbraw/zinc/18/72/63/1072187263.db2.gz NQNYOXYNONKVJR-OAHLLOKOSA-N 2 2 390.488 -0.154 20 0 GBADLP COc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1OCC[NH+](C)C ZINC000419668825 1072188213 /nfs/dbraw/zinc/18/82/13/1072188213.db2.gz APLLCHIAKOHWEX-UHFFFAOYSA-N 2 2 394.472 -0.289 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)[nH+]cn1 ZINC000419765857 1072200500 /nfs/dbraw/zinc/20/05/00/1072200500.db2.gz RGVXPBKPFMZQFY-QLFBSQMISA-N 2 2 387.488 -0.329 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000419765857 1072200497 /nfs/dbraw/zinc/20/04/97/1072200497.db2.gz RGVXPBKPFMZQFY-QLFBSQMISA-N 2 2 387.488 -0.329 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)[nH+]cn1 ZINC000419765860 1072199998 /nfs/dbraw/zinc/19/99/98/1072199998.db2.gz RGVXPBKPFMZQFY-RBSFLKMASA-N 2 2 387.488 -0.329 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC000419765860 1072199994 /nfs/dbraw/zinc/19/99/94/1072199994.db2.gz RGVXPBKPFMZQFY-RBSFLKMASA-N 2 2 387.488 -0.329 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[nH+]cn1 ZINC000419765862 1072200339 /nfs/dbraw/zinc/20/03/39/1072200339.db2.gz RGVXPBKPFMZQFY-RRFJBIMHSA-N 2 2 387.488 -0.329 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC000419765862 1072200328 /nfs/dbraw/zinc/20/03/28/1072200328.db2.gz RGVXPBKPFMZQFY-RRFJBIMHSA-N 2 2 387.488 -0.329 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[nH+]cn1 ZINC000419765864 1072200476 /nfs/dbraw/zinc/20/04/76/1072200476.db2.gz RGVXPBKPFMZQFY-SOUVJXGZSA-N 2 2 387.488 -0.329 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000419765864 1072200474 /nfs/dbraw/zinc/20/04/74/1072200474.db2.gz RGVXPBKPFMZQFY-SOUVJXGZSA-N 2 2 387.488 -0.329 20 0 GBADLP CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[nH+]cn1 ZINC000419766365 1072200468 /nfs/dbraw/zinc/20/04/68/1072200468.db2.gz RNLQJJLIEQWQLP-KGLIPLIRSA-N 2 2 375.477 -0.138 20 0 GBADLP CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)nc[nH+]1 ZINC000419766365 1072200467 /nfs/dbraw/zinc/20/04/67/1072200467.db2.gz RNLQJJLIEQWQLP-KGLIPLIRSA-N 2 2 375.477 -0.138 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[nH+]cn1 ZINC000419766367 1072200444 /nfs/dbraw/zinc/20/04/44/1072200444.db2.gz RNLQJJLIEQWQLP-ZIAGYGMSSA-N 2 2 375.477 -0.138 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)nc[nH+]1 ZINC000419766367 1072200440 /nfs/dbraw/zinc/20/04/40/1072200440.db2.gz RNLQJJLIEQWQLP-ZIAGYGMSSA-N 2 2 375.477 -0.138 20 0 GBADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)nc[nH+]1 ZINC000419776868 1072201234 /nfs/dbraw/zinc/20/12/34/1072201234.db2.gz YPFQRHUTHGCJCG-CYBMUJFWSA-N 2 2 375.477 -0.186 20 0 GBADLP CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)nc[nH+]1 ZINC000419776869 1072201170 /nfs/dbraw/zinc/20/11/70/1072201170.db2.gz YPFQRHUTHGCJCG-ZDUSSCGKSA-N 2 2 375.477 -0.186 20 0 GBADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419852729 1072213359 /nfs/dbraw/zinc/21/33/59/1072213359.db2.gz LXUVTKLNAPDCAV-HOTGVXAUSA-N 2 2 383.537 -0.598 20 0 GBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419852731 1072213487 /nfs/dbraw/zinc/21/34/87/1072213487.db2.gz LXUVTKLNAPDCAV-HZPDHXFCSA-N 2 2 383.537 -0.598 20 0 GBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419852733 1072213390 /nfs/dbraw/zinc/21/33/90/1072213390.db2.gz LXUVTKLNAPDCAV-IYBDPMFKSA-N 2 2 383.537 -0.598 20 0 GBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419852733 1072213381 /nfs/dbraw/zinc/21/33/81/1072213381.db2.gz LXUVTKLNAPDCAV-IYBDPMFKSA-N 2 2 383.537 -0.598 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419855674 1072214340 /nfs/dbraw/zinc/21/43/40/1072214340.db2.gz RBKZSRHEGMVSBY-UHFFFAOYSA-N 2 2 381.521 -0.353 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419855674 1072214332 /nfs/dbraw/zinc/21/43/32/1072214332.db2.gz RBKZSRHEGMVSBY-UHFFFAOYSA-N 2 2 381.521 -0.353 20 0 GBADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000419857083 1072214271 /nfs/dbraw/zinc/21/42/71/1072214271.db2.gz UIPUMIFOIAFDKS-UHFFFAOYSA-N 2 2 379.530 -0.366 20 0 GBADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000419857083 1072214262 /nfs/dbraw/zinc/21/42/62/1072214262.db2.gz UIPUMIFOIAFDKS-UHFFFAOYSA-N 2 2 379.530 -0.366 20 0 GBADLP CC(C)C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419863116 1072216028 /nfs/dbraw/zinc/21/60/28/1072216028.db2.gz HNPWKTNBGBEUSI-KRWDZBQOSA-N 2 2 383.537 -0.739 20 0 GBADLP CC(C)C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419863117 1072216017 /nfs/dbraw/zinc/21/60/17/1072216017.db2.gz HNPWKTNBGBEUSI-QGZVFWFLSA-N 2 2 383.537 -0.739 20 0 GBADLP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419867394 1072217636 /nfs/dbraw/zinc/21/76/36/1072217636.db2.gz BQTUJAAOSDFBQM-UHFFFAOYSA-N 2 2 391.491 -0.119 20 0 GBADLP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419867394 1072217629 /nfs/dbraw/zinc/21/76/29/1072217629.db2.gz BQTUJAAOSDFBQM-UHFFFAOYSA-N 2 2 391.491 -0.119 20 0 GBADLP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000419869152 1072217590 /nfs/dbraw/zinc/21/75/90/1072217590.db2.gz CWKXOCLDBVFGBN-UHFFFAOYSA-N 2 2 376.505 -0.077 20 0 GBADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000419871805 1072219099 /nfs/dbraw/zinc/21/90/99/1072219099.db2.gz QAHHIEPDVORWFR-UHFFFAOYSA-N 2 2 387.528 -0.215 20 0 GBADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419873372 1072219149 /nfs/dbraw/zinc/21/91/49/1072219149.db2.gz RWRFPUWDYFHEPI-UHFFFAOYSA-N 2 2 393.557 -0.154 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419884117 1072198331 /nfs/dbraw/zinc/19/83/31/1072198331.db2.gz XCKLVEZPTHWEAI-CVEARBPZSA-N 2 2 381.521 -0.225 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419884117 1072198324 /nfs/dbraw/zinc/19/83/24/1072198324.db2.gz XCKLVEZPTHWEAI-CVEARBPZSA-N 2 2 381.521 -0.225 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419884118 1072198536 /nfs/dbraw/zinc/19/85/36/1072198536.db2.gz XCKLVEZPTHWEAI-HOTGVXAUSA-N 2 2 381.521 -0.225 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419884118 1072198529 /nfs/dbraw/zinc/19/85/29/1072198529.db2.gz XCKLVEZPTHWEAI-HOTGVXAUSA-N 2 2 381.521 -0.225 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419884119 1072198343 /nfs/dbraw/zinc/19/83/43/1072198343.db2.gz XCKLVEZPTHWEAI-HZPDHXFCSA-N 2 2 381.521 -0.225 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419884119 1072198340 /nfs/dbraw/zinc/19/83/40/1072198340.db2.gz XCKLVEZPTHWEAI-HZPDHXFCSA-N 2 2 381.521 -0.225 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419884120 1072198429 /nfs/dbraw/zinc/19/84/29/1072198429.db2.gz XCKLVEZPTHWEAI-JKSUJKDBSA-N 2 2 381.521 -0.225 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419884120 1072198421 /nfs/dbraw/zinc/19/84/21/1072198421.db2.gz XCKLVEZPTHWEAI-JKSUJKDBSA-N 2 2 381.521 -0.225 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419900202 1072225841 /nfs/dbraw/zinc/22/58/41/1072225841.db2.gz SINBVCDMICNBLG-DLBZAZTESA-N 2 2 395.548 -0.107 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419900202 1072225838 /nfs/dbraw/zinc/22/58/38/1072225838.db2.gz SINBVCDMICNBLG-DLBZAZTESA-N 2 2 395.548 -0.107 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419900203 1072225952 /nfs/dbraw/zinc/22/59/52/1072225952.db2.gz SINBVCDMICNBLG-IAGOWNOFSA-N 2 2 395.548 -0.107 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419900203 1072225938 /nfs/dbraw/zinc/22/59/38/1072225938.db2.gz SINBVCDMICNBLG-IAGOWNOFSA-N 2 2 395.548 -0.107 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419900204 1072225910 /nfs/dbraw/zinc/22/59/10/1072225910.db2.gz SINBVCDMICNBLG-IRXDYDNUSA-N 2 2 395.548 -0.107 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419900204 1072225903 /nfs/dbraw/zinc/22/59/03/1072225903.db2.gz SINBVCDMICNBLG-IRXDYDNUSA-N 2 2 395.548 -0.107 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419900205 1072226008 /nfs/dbraw/zinc/22/60/08/1072226008.db2.gz SINBVCDMICNBLG-SJORKVTESA-N 2 2 395.548 -0.107 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419900205 1072225996 /nfs/dbraw/zinc/22/59/96/1072225996.db2.gz SINBVCDMICNBLG-SJORKVTESA-N 2 2 395.548 -0.107 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419923236 1072227633 /nfs/dbraw/zinc/22/76/33/1072227633.db2.gz GHBABKUWFZOHAZ-INIZCTEOSA-N 2 2 375.473 -0.575 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419923237 1072227597 /nfs/dbraw/zinc/22/75/97/1072227597.db2.gz GHBABKUWFZOHAZ-MRXNPFEDSA-N 2 2 375.473 -0.575 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419933377 1072230564 /nfs/dbraw/zinc/23/05/64/1072230564.db2.gz QNJZXDPTISDMCV-KRWDZBQOSA-N 2 2 378.473 -0.392 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419933380 1072230616 /nfs/dbraw/zinc/23/06/16/1072230616.db2.gz QNJZXDPTISDMCV-QGZVFWFLSA-N 2 2 378.473 -0.392 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000419935512 1072231597 /nfs/dbraw/zinc/23/15/97/1072231597.db2.gz SHCONDZHPFPALU-GDBMZVCRSA-N 2 2 376.457 -0.102 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000419935512 1072231591 /nfs/dbraw/zinc/23/15/91/1072231591.db2.gz SHCONDZHPFPALU-GDBMZVCRSA-N 2 2 376.457 -0.102 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000419935513 1072231181 /nfs/dbraw/zinc/23/11/81/1072231181.db2.gz SHCONDZHPFPALU-GOEBONIOSA-N 2 2 376.457 -0.102 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000419935513 1072231173 /nfs/dbraw/zinc/23/11/73/1072231173.db2.gz SHCONDZHPFPALU-GOEBONIOSA-N 2 2 376.457 -0.102 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000419935514 1072231620 /nfs/dbraw/zinc/23/16/20/1072231620.db2.gz SHCONDZHPFPALU-HOCLYGCPSA-N 2 2 376.457 -0.102 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000419935514 1072231616 /nfs/dbraw/zinc/23/16/16/1072231616.db2.gz SHCONDZHPFPALU-HOCLYGCPSA-N 2 2 376.457 -0.102 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000419935515 1072231678 /nfs/dbraw/zinc/23/16/78/1072231678.db2.gz SHCONDZHPFPALU-ZBFHGGJFSA-N 2 2 376.457 -0.102 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000419935515 1072231676 /nfs/dbraw/zinc/23/16/76/1072231676.db2.gz SHCONDZHPFPALU-ZBFHGGJFSA-N 2 2 376.457 -0.102 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419936230 1072231519 /nfs/dbraw/zinc/23/15/19/1072231519.db2.gz KOMYHENXKOGSKR-MRXNPFEDSA-N 2 2 381.521 -0.353 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419936230 1072231514 /nfs/dbraw/zinc/23/15/14/1072231514.db2.gz KOMYHENXKOGSKR-MRXNPFEDSA-N 2 2 381.521 -0.353 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419949079 1072230038 /nfs/dbraw/zinc/23/00/38/1072230038.db2.gz GSIHWVSEBBIFRW-INIZCTEOSA-N 2 2 383.537 -0.121 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419949079 1072230033 /nfs/dbraw/zinc/23/00/33/1072230033.db2.gz GSIHWVSEBBIFRW-INIZCTEOSA-N 2 2 383.537 -0.121 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419949083 1072229966 /nfs/dbraw/zinc/22/99/66/1072229966.db2.gz GSIHWVSEBBIFRW-MRXNPFEDSA-N 2 2 383.537 -0.121 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419949083 1072229963 /nfs/dbraw/zinc/22/99/63/1072229963.db2.gz GSIHWVSEBBIFRW-MRXNPFEDSA-N 2 2 383.537 -0.121 20 0 GBADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000419951064 1072230028 /nfs/dbraw/zinc/23/00/28/1072230028.db2.gz JEDKMOXDKJEHPZ-CYBMUJFWSA-N 2 2 388.476 -0.499 20 0 GBADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000419951067 1072230058 /nfs/dbraw/zinc/23/00/58/1072230058.db2.gz JEDKMOXDKJEHPZ-ZDUSSCGKSA-N 2 2 388.476 -0.499 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419956177 1072230736 /nfs/dbraw/zinc/23/07/36/1072230736.db2.gz ABTGFOKZCNHPCI-KRWDZBQOSA-N 2 2 384.521 -0.184 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419956183 1072230706 /nfs/dbraw/zinc/23/07/06/1072230706.db2.gz ABTGFOKZCNHPCI-QGZVFWFLSA-N 2 2 384.521 -0.184 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419958933 1072233221 /nfs/dbraw/zinc/23/32/21/1072233221.db2.gz WRUGNZKNAGAWSR-CYBMUJFWSA-N 2 2 386.460 -0.730 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419958936 1072232886 /nfs/dbraw/zinc/23/28/86/1072232886.db2.gz WRUGNZKNAGAWSR-ZDUSSCGKSA-N 2 2 386.460 -0.730 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419962147 1072233998 /nfs/dbraw/zinc/23/39/98/1072233998.db2.gz ZIFAVJDNIUDMPD-INIZCTEOSA-N 2 2 381.521 -0.353 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419962147 1072233988 /nfs/dbraw/zinc/23/39/88/1072233988.db2.gz ZIFAVJDNIUDMPD-INIZCTEOSA-N 2 2 381.521 -0.353 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419962150 1072233952 /nfs/dbraw/zinc/23/39/52/1072233952.db2.gz ZIFAVJDNIUDMPD-MRXNPFEDSA-N 2 2 381.521 -0.353 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419962150 1072233947 /nfs/dbraw/zinc/23/39/47/1072233947.db2.gz ZIFAVJDNIUDMPD-MRXNPFEDSA-N 2 2 381.521 -0.353 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419974039 1072235165 /nfs/dbraw/zinc/23/51/65/1072235165.db2.gz IUTKENYUWCSJLJ-KRWDZBQOSA-N 2 2 395.548 -0.105 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419974039 1072235158 /nfs/dbraw/zinc/23/51/58/1072235158.db2.gz IUTKENYUWCSJLJ-KRWDZBQOSA-N 2 2 395.548 -0.105 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419974040 1072235379 /nfs/dbraw/zinc/23/53/79/1072235379.db2.gz IUTKENYUWCSJLJ-QGZVFWFLSA-N 2 2 395.548 -0.105 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419974040 1072235372 /nfs/dbraw/zinc/23/53/72/1072235372.db2.gz IUTKENYUWCSJLJ-QGZVFWFLSA-N 2 2 395.548 -0.105 20 0 GBADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420034303 1072242036 /nfs/dbraw/zinc/24/20/36/1072242036.db2.gz JNYPLZGFQMKRRZ-GDBMZVCRSA-N 3 2 383.537 -0.300 20 0 GBADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000420034303 1072242031 /nfs/dbraw/zinc/24/20/31/1072242031.db2.gz JNYPLZGFQMKRRZ-GDBMZVCRSA-N 3 2 383.537 -0.300 20 0 GBADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420034304 1072241799 /nfs/dbraw/zinc/24/17/99/1072241799.db2.gz JNYPLZGFQMKRRZ-GOEBONIOSA-N 3 2 383.537 -0.300 20 0 GBADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000420034304 1072241792 /nfs/dbraw/zinc/24/17/92/1072241792.db2.gz JNYPLZGFQMKRRZ-GOEBONIOSA-N 3 2 383.537 -0.300 20 0 GBADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420034305 1072242058 /nfs/dbraw/zinc/24/20/58/1072242058.db2.gz JNYPLZGFQMKRRZ-HOCLYGCPSA-N 3 2 383.537 -0.300 20 0 GBADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000420034305 1072242055 /nfs/dbraw/zinc/24/20/55/1072242055.db2.gz JNYPLZGFQMKRRZ-HOCLYGCPSA-N 3 2 383.537 -0.300 20 0 GBADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420034306 1072241622 /nfs/dbraw/zinc/24/16/22/1072241622.db2.gz JNYPLZGFQMKRRZ-ZBFHGGJFSA-N 3 2 383.537 -0.300 20 0 GBADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000420034306 1072241613 /nfs/dbraw/zinc/24/16/13/1072241613.db2.gz JNYPLZGFQMKRRZ-ZBFHGGJFSA-N 3 2 383.537 -0.300 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420044158 1072246163 /nfs/dbraw/zinc/24/61/63/1072246163.db2.gz SPKAIWAFRZZCTQ-DZGCQCFKSA-N 2 2 386.493 -0.979 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420044159 1072246252 /nfs/dbraw/zinc/24/62/52/1072246252.db2.gz SPKAIWAFRZZCTQ-HIFRSBDPSA-N 2 2 386.493 -0.979 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420044160 1072246630 /nfs/dbraw/zinc/24/66/30/1072246630.db2.gz SPKAIWAFRZZCTQ-UKRRQHHQSA-N 2 2 386.493 -0.979 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420044161 1072246110 /nfs/dbraw/zinc/24/61/10/1072246110.db2.gz SPKAIWAFRZZCTQ-ZFWWWQNUSA-N 2 2 386.493 -0.979 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@@H](C)C1 ZINC000420050590 1072247475 /nfs/dbraw/zinc/24/74/75/1072247475.db2.gz ZELIQCRMLANZAX-IHRRRGAJSA-N 2 2 384.477 -0.689 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@@H](C)C1 ZINC000420050590 1072247471 /nfs/dbraw/zinc/24/74/71/1072247471.db2.gz ZELIQCRMLANZAX-IHRRRGAJSA-N 2 2 384.477 -0.689 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@H](C)C1 ZINC000420050591 1072248180 /nfs/dbraw/zinc/24/81/80/1072248180.db2.gz ZELIQCRMLANZAX-MCIONIFRSA-N 2 2 384.477 -0.689 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@H](C)C1 ZINC000420050591 1072248170 /nfs/dbraw/zinc/24/81/70/1072248170.db2.gz ZELIQCRMLANZAX-MCIONIFRSA-N 2 2 384.477 -0.689 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@@H](C)C1 ZINC000420050592 1072248537 /nfs/dbraw/zinc/24/85/37/1072248537.db2.gz ZELIQCRMLANZAX-MJBXVCDLSA-N 2 2 384.477 -0.689 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@@H](C)C1 ZINC000420050592 1072248528 /nfs/dbraw/zinc/24/85/28/1072248528.db2.gz ZELIQCRMLANZAX-MJBXVCDLSA-N 2 2 384.477 -0.689 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@H](C)C1 ZINC000420050593 1072248434 /nfs/dbraw/zinc/24/84/34/1072248434.db2.gz ZELIQCRMLANZAX-RDBSUJKOSA-N 2 2 384.477 -0.689 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@H](C)C1 ZINC000420050593 1072248428 /nfs/dbraw/zinc/24/84/28/1072248428.db2.gz ZELIQCRMLANZAX-RDBSUJKOSA-N 2 2 384.477 -0.689 20 0 GBADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000420080092 1072251150 /nfs/dbraw/zinc/25/11/50/1072251150.db2.gz KBCNYHNURIQGQO-UHFFFAOYSA-N 2 2 388.476 -0.354 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420087089 1072251941 /nfs/dbraw/zinc/25/19/41/1072251941.db2.gz PHCPEDKPSPJFMU-UHFFFAOYSA-N 2 2 395.548 -0.105 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420087089 1072251935 /nfs/dbraw/zinc/25/19/35/1072251935.db2.gz PHCPEDKPSPJFMU-UHFFFAOYSA-N 2 2 395.548 -0.105 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420091747 1072255000 /nfs/dbraw/zinc/25/50/00/1072255000.db2.gz FOWFOOXRIPNORL-FQEVSTJZSA-N 2 2 395.548 -0.105 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420091747 1072254996 /nfs/dbraw/zinc/25/49/96/1072254996.db2.gz FOWFOOXRIPNORL-FQEVSTJZSA-N 2 2 395.548 -0.105 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420091749 1072255038 /nfs/dbraw/zinc/25/50/38/1072255038.db2.gz FOWFOOXRIPNORL-HXUWFJFHSA-N 2 2 395.548 -0.105 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420091749 1072255033 /nfs/dbraw/zinc/25/50/33/1072255033.db2.gz FOWFOOXRIPNORL-HXUWFJFHSA-N 2 2 395.548 -0.105 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420104774 1072252705 /nfs/dbraw/zinc/25/27/05/1072252705.db2.gz ROIRRIZYZKFDIP-UHFFFAOYSA-N 2 2 390.484 -0.288 20 0 GBADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000420137405 1072255710 /nfs/dbraw/zinc/25/57/10/1072255710.db2.gz DSUUXGJICSLQID-CYBMUJFWSA-N 2 2 388.476 -0.354 20 0 GBADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000420137406 1072255698 /nfs/dbraw/zinc/25/56/98/1072255698.db2.gz DSUUXGJICSLQID-ZDUSSCGKSA-N 2 2 388.476 -0.354 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420148982 1072260487 /nfs/dbraw/zinc/26/04/87/1072260487.db2.gz UUOYUWNYUZQLGK-CVEARBPZSA-N 2 2 381.521 -0.497 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420148982 1072260482 /nfs/dbraw/zinc/26/04/82/1072260482.db2.gz UUOYUWNYUZQLGK-CVEARBPZSA-N 2 2 381.521 -0.497 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420148983 1072260573 /nfs/dbraw/zinc/26/05/73/1072260573.db2.gz UUOYUWNYUZQLGK-HOTGVXAUSA-N 2 2 381.521 -0.497 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420148983 1072260568 /nfs/dbraw/zinc/26/05/68/1072260568.db2.gz UUOYUWNYUZQLGK-HOTGVXAUSA-N 2 2 381.521 -0.497 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420148984 1072260149 /nfs/dbraw/zinc/26/01/49/1072260149.db2.gz UUOYUWNYUZQLGK-HZPDHXFCSA-N 2 2 381.521 -0.497 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420148984 1072260140 /nfs/dbraw/zinc/26/01/40/1072260140.db2.gz UUOYUWNYUZQLGK-HZPDHXFCSA-N 2 2 381.521 -0.497 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420148985 1072260422 /nfs/dbraw/zinc/26/04/22/1072260422.db2.gz UUOYUWNYUZQLGK-JKSUJKDBSA-N 2 2 381.521 -0.497 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420148985 1072260417 /nfs/dbraw/zinc/26/04/17/1072260417.db2.gz UUOYUWNYUZQLGK-JKSUJKDBSA-N 2 2 381.521 -0.497 20 0 GBADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000420150761 1072260706 /nfs/dbraw/zinc/26/07/06/1072260706.db2.gz XKWFBAPDJUZVMP-GXTWGEPZSA-N 2 2 386.460 -0.874 20 0 GBADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000420150764 1072260701 /nfs/dbraw/zinc/26/07/01/1072260701.db2.gz XKWFBAPDJUZVMP-JSGCOSHPSA-N 2 2 386.460 -0.874 20 0 GBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000420150765 1072260238 /nfs/dbraw/zinc/26/02/38/1072260238.db2.gz XKWFBAPDJUZVMP-OCCSQVGLSA-N 2 2 386.460 -0.874 20 0 GBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000420150766 1072260653 /nfs/dbraw/zinc/26/06/53/1072260653.db2.gz XKWFBAPDJUZVMP-TZMCWYRMSA-N 2 2 386.460 -0.874 20 0 GBADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000420152671 1072260599 /nfs/dbraw/zinc/26/05/99/1072260599.db2.gz PIEXZIBCJFZRGN-UHFFFAOYSA-N 2 2 399.442 -0.157 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420164761 1072264006 /nfs/dbraw/zinc/26/40/06/1072264006.db2.gz MGOWSQKSAAJQPQ-UHFFFAOYSA-N 2 2 393.532 -0.185 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420164761 1072263999 /nfs/dbraw/zinc/26/39/99/1072263999.db2.gz MGOWSQKSAAJQPQ-UHFFFAOYSA-N 2 2 393.532 -0.185 20 0 GBADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000420166599 1072263753 /nfs/dbraw/zinc/26/37/53/1072263753.db2.gz IVAZBXBHBNLWRY-UHFFFAOYSA-N 2 2 390.353 -0.190 20 0 GBADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420168085 1072264966 /nfs/dbraw/zinc/26/49/66/1072264966.db2.gz KMMOJCGNNUSANG-UHFFFAOYSA-N 2 2 383.443 -0.023 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420172527 1072264705 /nfs/dbraw/zinc/26/47/05/1072264705.db2.gz PXLWIWUMCLMOOY-INIZCTEOSA-N 2 2 384.521 -0.314 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420172532 1072264994 /nfs/dbraw/zinc/26/49/94/1072264994.db2.gz PXLWIWUMCLMOOY-MRXNPFEDSA-N 2 2 384.521 -0.314 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000420172833 1072266033 /nfs/dbraw/zinc/26/60/33/1072266033.db2.gz WDOXZIYXCFHDSV-CABCVRRESA-N 2 2 382.505 -0.023 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000420172833 1072266028 /nfs/dbraw/zinc/26/60/28/1072266028.db2.gz WDOXZIYXCFHDSV-CABCVRRESA-N 2 2 382.505 -0.023 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000420172835 1072265784 /nfs/dbraw/zinc/26/57/84/1072265784.db2.gz WDOXZIYXCFHDSV-GJZGRUSLSA-N 2 2 382.505 -0.023 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000420172835 1072265771 /nfs/dbraw/zinc/26/57/71/1072265771.db2.gz WDOXZIYXCFHDSV-GJZGRUSLSA-N 2 2 382.505 -0.023 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000420172837 1072265522 /nfs/dbraw/zinc/26/55/22/1072265522.db2.gz WDOXZIYXCFHDSV-HUUCEWRRSA-N 2 2 382.505 -0.023 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000420172837 1072265516 /nfs/dbraw/zinc/26/55/16/1072265516.db2.gz WDOXZIYXCFHDSV-HUUCEWRRSA-N 2 2 382.505 -0.023 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000420172838 1072265900 /nfs/dbraw/zinc/26/59/00/1072265900.db2.gz WDOXZIYXCFHDSV-LSDHHAIUSA-N 2 2 382.505 -0.023 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000420172838 1072265894 /nfs/dbraw/zinc/26/58/94/1072265894.db2.gz WDOXZIYXCFHDSV-LSDHHAIUSA-N 2 2 382.505 -0.023 20 0 GBADLP COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000420179822 1072262273 /nfs/dbraw/zinc/26/22/73/1072262273.db2.gz GONIKMFAWRXVAF-UHFFFAOYSA-N 2 2 392.504 -0.091 20 0 GBADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420197557 1072266163 /nfs/dbraw/zinc/26/61/63/1072266163.db2.gz MDNBPPMMWCPLNT-KRWDZBQOSA-N 2 2 378.448 -0.035 20 0 GBADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420197557 1072266156 /nfs/dbraw/zinc/26/61/56/1072266156.db2.gz MDNBPPMMWCPLNT-KRWDZBQOSA-N 2 2 378.448 -0.035 20 0 GBADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420197559 1072266014 /nfs/dbraw/zinc/26/60/14/1072266014.db2.gz MDNBPPMMWCPLNT-QGZVFWFLSA-N 2 2 378.448 -0.035 20 0 GBADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420197559 1072266006 /nfs/dbraw/zinc/26/60/06/1072266006.db2.gz MDNBPPMMWCPLNT-QGZVFWFLSA-N 2 2 378.448 -0.035 20 0 GBADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420201370 1072266526 /nfs/dbraw/zinc/26/65/26/1072266526.db2.gz OKBYYKWXPXPDMT-GOSISDBHSA-N 2 2 389.500 -0.628 20 0 GBADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420201371 1072266809 /nfs/dbraw/zinc/26/68/09/1072266809.db2.gz OKBYYKWXPXPDMT-SFHVURJKSA-N 2 2 389.500 -0.628 20 0 GBADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420213261 1072276375 /nfs/dbraw/zinc/27/63/75/1072276375.db2.gz IWSODKZSNSESGC-CYBMUJFWSA-N 2 2 377.411 -0.755 20 0 GBADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420213264 1072276889 /nfs/dbraw/zinc/27/68/89/1072276889.db2.gz IWSODKZSNSESGC-ZDUSSCGKSA-N 2 2 377.411 -0.755 20 0 GBADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)nc(C(C)C)[nH+]1 ZINC000420213992 1072276722 /nfs/dbraw/zinc/27/67/22/1072276722.db2.gz ZCYGYGGIHJSUII-HNNXBMFYSA-N 2 2 390.488 -0.338 20 0 GBADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)nc(C(C)C)[nH+]1 ZINC000420213995 1072276945 /nfs/dbraw/zinc/27/69/45/1072276945.db2.gz ZCYGYGGIHJSUII-OAHLLOKOSA-N 2 2 390.488 -0.338 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](C)C1 ZINC000420214066 1072276326 /nfs/dbraw/zinc/27/63/26/1072276326.db2.gz QPYYXEJRIDWBAK-KLHDSHLOSA-N 2 2 380.489 -0.414 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](C)C1 ZINC000420214066 1072276320 /nfs/dbraw/zinc/27/63/20/1072276320.db2.gz QPYYXEJRIDWBAK-KLHDSHLOSA-N 2 2 380.489 -0.414 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](C)C1 ZINC000420214069 1072276574 /nfs/dbraw/zinc/27/65/74/1072276574.db2.gz QPYYXEJRIDWBAK-LVQVYYBASA-N 2 2 380.489 -0.414 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](C)C1 ZINC000420214069 1072276565 /nfs/dbraw/zinc/27/65/65/1072276565.db2.gz QPYYXEJRIDWBAK-LVQVYYBASA-N 2 2 380.489 -0.414 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](C)C1 ZINC000420214072 1072276523 /nfs/dbraw/zinc/27/65/23/1072276523.db2.gz QPYYXEJRIDWBAK-XUWVNRHRSA-N 2 2 380.489 -0.414 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](C)C1 ZINC000420214072 1072276513 /nfs/dbraw/zinc/27/65/13/1072276513.db2.gz QPYYXEJRIDWBAK-XUWVNRHRSA-N 2 2 380.489 -0.414 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C1 ZINC000420214075 1072276767 /nfs/dbraw/zinc/27/67/67/1072276767.db2.gz QPYYXEJRIDWBAK-ZJIFWQFVSA-N 2 2 380.489 -0.414 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C1 ZINC000420214075 1072276757 /nfs/dbraw/zinc/27/67/57/1072276757.db2.gz QPYYXEJRIDWBAK-ZJIFWQFVSA-N 2 2 380.489 -0.414 20 0 GBADLP COc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000420348681 1072282233 /nfs/dbraw/zinc/28/22/33/1072282233.db2.gz MOIAYQZORSHJNJ-AWEZNQCLSA-N 2 2 384.488 0.107 20 0 GBADLP COc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000420348681 1072282229 /nfs/dbraw/zinc/28/22/29/1072282229.db2.gz MOIAYQZORSHJNJ-AWEZNQCLSA-N 2 2 384.488 0.107 20 0 GBADLP COc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000420348682 1072282259 /nfs/dbraw/zinc/28/22/59/1072282259.db2.gz MOIAYQZORSHJNJ-CQSZACIVSA-N 2 2 384.488 0.107 20 0 GBADLP COc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000420348682 1072282253 /nfs/dbraw/zinc/28/22/53/1072282253.db2.gz MOIAYQZORSHJNJ-CQSZACIVSA-N 2 2 384.488 0.107 20 0 GBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420357738 1072282026 /nfs/dbraw/zinc/28/20/26/1072282026.db2.gz SUJDKSSYJLUONT-CVEARBPZSA-N 2 2 398.529 -0.532 20 0 GBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420357738 1072282022 /nfs/dbraw/zinc/28/20/22/1072282022.db2.gz SUJDKSSYJLUONT-CVEARBPZSA-N 2 2 398.529 -0.532 20 0 GBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420357740 1072281874 /nfs/dbraw/zinc/28/18/74/1072281874.db2.gz SUJDKSSYJLUONT-HOTGVXAUSA-N 2 2 398.529 -0.532 20 0 GBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420357740 1072281864 /nfs/dbraw/zinc/28/18/64/1072281864.db2.gz SUJDKSSYJLUONT-HOTGVXAUSA-N 2 2 398.529 -0.532 20 0 GBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420357742 1072282111 /nfs/dbraw/zinc/28/21/11/1072282111.db2.gz SUJDKSSYJLUONT-HZPDHXFCSA-N 2 2 398.529 -0.532 20 0 GBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420357742 1072282101 /nfs/dbraw/zinc/28/21/01/1072282101.db2.gz SUJDKSSYJLUONT-HZPDHXFCSA-N 2 2 398.529 -0.532 20 0 GBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420357745 1072281837 /nfs/dbraw/zinc/28/18/37/1072281837.db2.gz SUJDKSSYJLUONT-JKSUJKDBSA-N 2 2 398.529 -0.532 20 0 GBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420357745 1072281832 /nfs/dbraw/zinc/28/18/32/1072281832.db2.gz SUJDKSSYJLUONT-JKSUJKDBSA-N 2 2 398.529 -0.532 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000420793298 1072300597 /nfs/dbraw/zinc/30/05/97/1072300597.db2.gz IXOSNPJNBYOVDL-UHFFFAOYSA-N 2 2 384.521 -0.217 20 0 GBADLP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCC1 ZINC000420798507 1072300826 /nfs/dbraw/zinc/30/08/26/1072300826.db2.gz MTFXPUHTENYGCY-UHFFFAOYSA-N 2 2 396.532 -0.025 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000420801106 1072300849 /nfs/dbraw/zinc/30/08/49/1072300849.db2.gz QFEZVECUMHWXJV-UHFFFAOYSA-N 2 2 384.521 -0.219 20 0 GBADLP O=C(NCCC[NH+]1CCCCC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000420971277 1072305797 /nfs/dbraw/zinc/30/57/97/1072305797.db2.gz HUSCPRCHBMYTLL-UHFFFAOYSA-N 2 2 396.532 -0.024 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000420971496 1072306045 /nfs/dbraw/zinc/30/60/45/1072306045.db2.gz IBNATIFTOHRLRW-UHFFFAOYSA-N 2 2 384.521 -0.216 20 0 GBADLP CC1CC[NH+](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000421509263 1072330232 /nfs/dbraw/zinc/33/02/32/1072330232.db2.gz GJTBLVAIYGGQKW-UHFFFAOYSA-N 2 2 396.532 -0.168 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000421517645 1072330370 /nfs/dbraw/zinc/33/03/70/1072330370.db2.gz NPYWKLXMNZBWJC-INIZCTEOSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000421517646 1072330707 /nfs/dbraw/zinc/33/07/07/1072330707.db2.gz NPYWKLXMNZBWJC-MRXNPFEDSA-N 2 2 384.521 -0.360 20 0 GBADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000421523808 1072330823 /nfs/dbraw/zinc/33/08/23/1072330823.db2.gz UIANBDZTZOGNDJ-KRWDZBQOSA-N 2 2 396.532 -0.168 20 0 GBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000421523811 1072331074 /nfs/dbraw/zinc/33/10/74/1072331074.db2.gz UIANBDZTZOGNDJ-QGZVFWFLSA-N 2 2 396.532 -0.168 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000421526888 1072331732 /nfs/dbraw/zinc/33/17/32/1072331732.db2.gz XPBLQNPMOSJGHZ-UHFFFAOYSA-N 2 2 384.521 -0.360 20 0 GBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000421544533 1072332248 /nfs/dbraw/zinc/33/22/48/1072332248.db2.gz GIXHEFOFCSHAML-KRWDZBQOSA-N 2 2 396.532 -0.025 20 0 GBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000421544535 1072332105 /nfs/dbraw/zinc/33/21/05/1072332105.db2.gz GIXHEFOFCSHAML-QGZVFWFLSA-N 2 2 396.532 -0.025 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000421566178 1072334053 /nfs/dbraw/zinc/33/40/53/1072334053.db2.gz WJDKZDKAIGFUAH-MRXNPFEDSA-N 2 2 384.521 -0.217 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000421789803 1072341819 /nfs/dbraw/zinc/34/18/19/1072341819.db2.gz BSNSISLINURUST-UHFFFAOYSA-N 2 2 396.532 -0.217 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000422080148 1072346045 /nfs/dbraw/zinc/34/60/45/1072346045.db2.gz APYMGZRRGMPYSU-DLBZAZTESA-N 2 2 382.505 -0.465 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000422080148 1072346032 /nfs/dbraw/zinc/34/60/32/1072346032.db2.gz APYMGZRRGMPYSU-DLBZAZTESA-N 2 2 382.505 -0.465 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000422080152 1072346758 /nfs/dbraw/zinc/34/67/58/1072346758.db2.gz APYMGZRRGMPYSU-IAGOWNOFSA-N 2 2 382.505 -0.465 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000422080152 1072346749 /nfs/dbraw/zinc/34/67/49/1072346749.db2.gz APYMGZRRGMPYSU-IAGOWNOFSA-N 2 2 382.505 -0.465 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000422080154 1072346226 /nfs/dbraw/zinc/34/62/26/1072346226.db2.gz APYMGZRRGMPYSU-IRXDYDNUSA-N 2 2 382.505 -0.465 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000422080154 1072346221 /nfs/dbraw/zinc/34/62/21/1072346221.db2.gz APYMGZRRGMPYSU-IRXDYDNUSA-N 2 2 382.505 -0.465 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000422080155 1072346277 /nfs/dbraw/zinc/34/62/77/1072346277.db2.gz APYMGZRRGMPYSU-SJORKVTESA-N 2 2 382.505 -0.465 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000422080155 1072346270 /nfs/dbraw/zinc/34/62/70/1072346270.db2.gz APYMGZRRGMPYSU-SJORKVTESA-N 2 2 382.505 -0.465 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000422081469 1072346535 /nfs/dbraw/zinc/34/65/35/1072346535.db2.gz CTIKUJDFFBEIFL-INIZCTEOSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000422081470 1072346563 /nfs/dbraw/zinc/34/65/63/1072346563.db2.gz CTIKUJDFFBEIFL-MRXNPFEDSA-N 2 2 384.521 -0.360 20 0 GBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422108296 1072352343 /nfs/dbraw/zinc/35/23/43/1072352343.db2.gz UGTWSVGLLSAYNQ-KRWDZBQOSA-N 2 2 395.548 -0.058 20 0 GBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422108296 1072352339 /nfs/dbraw/zinc/35/23/39/1072352339.db2.gz UGTWSVGLLSAYNQ-KRWDZBQOSA-N 2 2 395.548 -0.058 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC1 ZINC000422108296 1072352333 /nfs/dbraw/zinc/35/23/33/1072352333.db2.gz UGTWSVGLLSAYNQ-KRWDZBQOSA-N 2 2 395.548 -0.058 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC1 ZINC000422108296 1072352329 /nfs/dbraw/zinc/35/23/29/1072352329.db2.gz UGTWSVGLLSAYNQ-KRWDZBQOSA-N 2 2 395.548 -0.058 20 0 GBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422108300 1072352198 /nfs/dbraw/zinc/35/21/98/1072352198.db2.gz UGTWSVGLLSAYNQ-QGZVFWFLSA-N 2 2 395.548 -0.058 20 0 GBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422108300 1072352194 /nfs/dbraw/zinc/35/21/94/1072352194.db2.gz UGTWSVGLLSAYNQ-QGZVFWFLSA-N 2 2 395.548 -0.058 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC1 ZINC000422108300 1072352188 /nfs/dbraw/zinc/35/21/88/1072352188.db2.gz UGTWSVGLLSAYNQ-QGZVFWFLSA-N 2 2 395.548 -0.058 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC1 ZINC000422108300 1072352182 /nfs/dbraw/zinc/35/21/82/1072352182.db2.gz UGTWSVGLLSAYNQ-QGZVFWFLSA-N 2 2 395.548 -0.058 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000422112024 1072353374 /nfs/dbraw/zinc/35/33/74/1072353374.db2.gz YUOHFGBUYZMOLB-INIZCTEOSA-N 2 2 384.521 -0.531 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000422112024 1072353361 /nfs/dbraw/zinc/35/33/61/1072353361.db2.gz YUOHFGBUYZMOLB-INIZCTEOSA-N 2 2 384.521 -0.531 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422112035 1072352917 /nfs/dbraw/zinc/35/29/17/1072352917.db2.gz YUOHFGBUYZMOLB-MRXNPFEDSA-N 2 2 384.521 -0.531 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422112035 1072352906 /nfs/dbraw/zinc/35/29/06/1072352906.db2.gz YUOHFGBUYZMOLB-MRXNPFEDSA-N 2 2 384.521 -0.531 20 0 GBADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422178395 1072760319 /nfs/dbraw/zinc/76/03/19/1072760319.db2.gz DAMJNLSDNKRPFK-INIZCTEOSA-N 2 2 384.521 -0.170 20 0 GBADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422178400 1072760567 /nfs/dbraw/zinc/76/05/67/1072760567.db2.gz DAMJNLSDNKRPFK-MRXNPFEDSA-N 2 2 384.521 -0.170 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000422273166 1072433976 /nfs/dbraw/zinc/43/39/76/1072433976.db2.gz URLZOEFMGYNYEL-UHFFFAOYSA-N 2 2 384.521 -0.360 20 0 GBADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422287639 1072435997 /nfs/dbraw/zinc/43/59/97/1072435997.db2.gz ZPBJZIYYOUQKBE-UHFFFAOYSA-N 2 2 384.521 -0.168 20 0 GBADLP CCCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422287639 1072435994 /nfs/dbraw/zinc/43/59/94/1072435994.db2.gz ZPBJZIYYOUQKBE-UHFFFAOYSA-N 2 2 384.521 -0.168 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000422290458 1072436095 /nfs/dbraw/zinc/43/60/95/1072436095.db2.gz AWPLAOYJKUEIBB-INIZCTEOSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000422290458 1072436093 /nfs/dbraw/zinc/43/60/93/1072436093.db2.gz AWPLAOYJKUEIBB-INIZCTEOSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000422290459 1072436046 /nfs/dbraw/zinc/43/60/46/1072436046.db2.gz AWPLAOYJKUEIBB-MRXNPFEDSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000422290459 1072436041 /nfs/dbraw/zinc/43/60/41/1072436041.db2.gz AWPLAOYJKUEIBB-MRXNPFEDSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000422291916 1072436683 /nfs/dbraw/zinc/43/66/83/1072436683.db2.gz FOZRMMUXGJWXTK-UHFFFAOYSA-N 2 2 384.521 -0.217 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000422291916 1072436678 /nfs/dbraw/zinc/43/66/78/1072436678.db2.gz FOZRMMUXGJWXTK-UHFFFAOYSA-N 2 2 384.521 -0.217 20 0 GBADLP C[N@@H+](CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCC1 ZINC000422298385 1072437929 /nfs/dbraw/zinc/43/79/29/1072437929.db2.gz RKIQJKJYVQTVIY-UHFFFAOYSA-N 2 2 396.532 -0.025 20 0 GBADLP C[N@H+](CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCC1 ZINC000422298385 1072437922 /nfs/dbraw/zinc/43/79/22/1072437922.db2.gz RKIQJKJYVQTVIY-UHFFFAOYSA-N 2 2 396.532 -0.025 20 0 GBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422299297 1072438050 /nfs/dbraw/zinc/43/80/50/1072438050.db2.gz SCYHNZXQPHORNA-INIZCTEOSA-N 2 2 384.521 -0.170 20 0 GBADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422299297 1072438044 /nfs/dbraw/zinc/43/80/44/1072438044.db2.gz SCYHNZXQPHORNA-INIZCTEOSA-N 2 2 384.521 -0.170 20 0 GBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422299298 1072437561 /nfs/dbraw/zinc/43/75/61/1072437561.db2.gz SCYHNZXQPHORNA-MRXNPFEDSA-N 2 2 384.521 -0.170 20 0 GBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422299298 1072437559 /nfs/dbraw/zinc/43/75/59/1072437559.db2.gz SCYHNZXQPHORNA-MRXNPFEDSA-N 2 2 384.521 -0.170 20 0 GBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422303436 1072438703 /nfs/dbraw/zinc/43/87/03/1072438703.db2.gz HJMHCVNKWSIHNS-INIZCTEOSA-N 2 2 384.521 -0.217 20 0 GBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422303436 1072438697 /nfs/dbraw/zinc/43/86/97/1072438697.db2.gz HJMHCVNKWSIHNS-INIZCTEOSA-N 2 2 384.521 -0.217 20 0 GBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422303438 1072439025 /nfs/dbraw/zinc/43/90/25/1072439025.db2.gz HJMHCVNKWSIHNS-MRXNPFEDSA-N 2 2 384.521 -0.217 20 0 GBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422303438 1072439022 /nfs/dbraw/zinc/43/90/22/1072439022.db2.gz HJMHCVNKWSIHNS-MRXNPFEDSA-N 2 2 384.521 -0.217 20 0 GBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422306986 1072440131 /nfs/dbraw/zinc/44/01/31/1072440131.db2.gz MSINQDGMESXRMK-KRWDZBQOSA-N 2 2 396.532 -0.025 20 0 GBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422306986 1072440124 /nfs/dbraw/zinc/44/01/24/1072440124.db2.gz MSINQDGMESXRMK-KRWDZBQOSA-N 2 2 396.532 -0.025 20 0 GBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422306987 1072440416 /nfs/dbraw/zinc/44/04/16/1072440416.db2.gz MSINQDGMESXRMK-QGZVFWFLSA-N 2 2 396.532 -0.025 20 0 GBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422306987 1072440409 /nfs/dbraw/zinc/44/04/09/1072440409.db2.gz MSINQDGMESXRMK-QGZVFWFLSA-N 2 2 396.532 -0.025 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000422316015 1072439546 /nfs/dbraw/zinc/43/95/46/1072439546.db2.gz BSBFDXJHYCJUMY-CVEARBPZSA-N 2 2 384.521 -0.219 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000422316016 1072439452 /nfs/dbraw/zinc/43/94/52/1072439452.db2.gz BSBFDXJHYCJUMY-HOTGVXAUSA-N 2 2 384.521 -0.219 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000422316017 1072439690 /nfs/dbraw/zinc/43/96/90/1072439690.db2.gz BSBFDXJHYCJUMY-HZPDHXFCSA-N 2 2 384.521 -0.219 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000422316018 1072439517 /nfs/dbraw/zinc/43/95/17/1072439517.db2.gz BSBFDXJHYCJUMY-JKSUJKDBSA-N 2 2 384.521 -0.219 20 0 GBADLP CC1=CC[N@@H+](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000422335948 1072442040 /nfs/dbraw/zinc/44/20/40/1072442040.db2.gz RMHAJYPINZNURL-UHFFFAOYSA-N 2 2 394.516 -0.248 20 0 GBADLP CC1=CC[N@H+](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000422335948 1072442036 /nfs/dbraw/zinc/44/20/36/1072442036.db2.gz RMHAJYPINZNURL-UHFFFAOYSA-N 2 2 394.516 -0.248 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000422350816 1072442882 /nfs/dbraw/zinc/44/28/82/1072442882.db2.gz NAFIVIBCJDFMNK-UHFFFAOYSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000422352807 1072441018 /nfs/dbraw/zinc/44/10/18/1072441018.db2.gz NXNQJYLBXNFYLS-ALOPSCKCSA-N 2 2 396.532 -0.077 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000422352807 1072441013 /nfs/dbraw/zinc/44/10/13/1072441013.db2.gz NXNQJYLBXNFYLS-ALOPSCKCSA-N 2 2 396.532 -0.077 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000422354961 1072444421 /nfs/dbraw/zinc/44/44/21/1072444421.db2.gz IVSUAENBABRBAS-HNNXBMFYSA-N 2 2 386.537 -0.116 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000422354962 1072444550 /nfs/dbraw/zinc/44/45/50/1072444550.db2.gz IVSUAENBABRBAS-OAHLLOKOSA-N 2 2 386.537 -0.116 20 0 GBADLP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422386383 1072446328 /nfs/dbraw/zinc/44/63/28/1072446328.db2.gz ZACMZODGXLANHX-UHFFFAOYSA-N 2 2 384.521 -0.168 20 0 GBADLP CCC[N@H+](CC)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422386383 1072446321 /nfs/dbraw/zinc/44/63/21/1072446321.db2.gz ZACMZODGXLANHX-UHFFFAOYSA-N 2 2 384.521 -0.168 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000422412241 1072449332 /nfs/dbraw/zinc/44/93/32/1072449332.db2.gz IVVNSKYQFHZHGN-CABCVRRESA-N 2 2 382.505 -0.467 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000422412241 1072449326 /nfs/dbraw/zinc/44/93/26/1072449326.db2.gz IVVNSKYQFHZHGN-CABCVRRESA-N 2 2 382.505 -0.467 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000422412242 1072449384 /nfs/dbraw/zinc/44/93/84/1072449384.db2.gz IVVNSKYQFHZHGN-GJZGRUSLSA-N 2 2 382.505 -0.467 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000422412242 1072449379 /nfs/dbraw/zinc/44/93/79/1072449379.db2.gz IVVNSKYQFHZHGN-GJZGRUSLSA-N 2 2 382.505 -0.467 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000422412243 1072449453 /nfs/dbraw/zinc/44/94/53/1072449453.db2.gz IVVNSKYQFHZHGN-HUUCEWRRSA-N 2 2 382.505 -0.467 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000422412243 1072449449 /nfs/dbraw/zinc/44/94/49/1072449449.db2.gz IVVNSKYQFHZHGN-HUUCEWRRSA-N 2 2 382.505 -0.467 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000422412244 1072449529 /nfs/dbraw/zinc/44/95/29/1072449529.db2.gz IVVNSKYQFHZHGN-LSDHHAIUSA-N 2 2 382.505 -0.467 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000422412244 1072449523 /nfs/dbraw/zinc/44/95/23/1072449523.db2.gz IVVNSKYQFHZHGN-LSDHHAIUSA-N 2 2 382.505 -0.467 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000422425777 1072448435 /nfs/dbraw/zinc/44/84/35/1072448435.db2.gz OJMBFCQWUHIUHO-PBHICJAKSA-N 2 2 382.505 -0.609 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000422425777 1072448429 /nfs/dbraw/zinc/44/84/29/1072448429.db2.gz OJMBFCQWUHIUHO-PBHICJAKSA-N 2 2 382.505 -0.609 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000422425779 1072448508 /nfs/dbraw/zinc/44/85/08/1072448508.db2.gz OJMBFCQWUHIUHO-RHSMWYFYSA-N 2 2 382.505 -0.609 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000422425779 1072448503 /nfs/dbraw/zinc/44/85/03/1072448503.db2.gz OJMBFCQWUHIUHO-RHSMWYFYSA-N 2 2 382.505 -0.609 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000422425780 1072448732 /nfs/dbraw/zinc/44/87/32/1072448732.db2.gz OJMBFCQWUHIUHO-WMLDXEAASA-N 2 2 382.505 -0.609 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000422425780 1072448728 /nfs/dbraw/zinc/44/87/28/1072448728.db2.gz OJMBFCQWUHIUHO-WMLDXEAASA-N 2 2 382.505 -0.609 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000422425782 1072448611 /nfs/dbraw/zinc/44/86/11/1072448611.db2.gz OJMBFCQWUHIUHO-YOEHRIQHSA-N 2 2 382.505 -0.609 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000422425782 1072448608 /nfs/dbraw/zinc/44/86/08/1072448608.db2.gz OJMBFCQWUHIUHO-YOEHRIQHSA-N 2 2 382.505 -0.609 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000422426219 1072448867 /nfs/dbraw/zinc/44/88/67/1072448867.db2.gz BAOGZUHAZHEQRB-UHFFFAOYSA-N 2 2 396.532 -0.217 20 0 GBADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422430136 1072451584 /nfs/dbraw/zinc/45/15/84/1072451584.db2.gz IHIVYOYWBSHAMQ-MRXNPFEDSA-N 2 2 384.521 -0.170 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC000422468593 1072452416 /nfs/dbraw/zinc/45/24/16/1072452416.db2.gz AGMLVALUQBSNEB-KRWDZBQOSA-N 2 2 396.532 -0.217 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC000422468593 1072452414 /nfs/dbraw/zinc/45/24/14/1072452414.db2.gz AGMLVALUQBSNEB-KRWDZBQOSA-N 2 2 396.532 -0.217 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC000422468594 1072452363 /nfs/dbraw/zinc/45/23/63/1072452363.db2.gz AGMLVALUQBSNEB-QGZVFWFLSA-N 2 2 396.532 -0.217 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC000422468594 1072452360 /nfs/dbraw/zinc/45/23/60/1072452360.db2.gz AGMLVALUQBSNEB-QGZVFWFLSA-N 2 2 396.532 -0.217 20 0 GBADLP CC[NH+](CC)CCCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422468843 1072452323 /nfs/dbraw/zinc/45/23/23/1072452323.db2.gz BQUJQDKFNSWWOC-UHFFFAOYSA-N 2 2 384.521 -0.168 20 0 GBADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422471228 1072453016 /nfs/dbraw/zinc/45/30/16/1072453016.db2.gz IOSXUYXMGNQGCO-UHFFFAOYSA-N 2 2 396.532 -0.073 20 0 GBADLP CC[N@@H+](CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)C ZINC000422471405 1072453112 /nfs/dbraw/zinc/45/31/12/1072453112.db2.gz JGGMJBJCJXDYEE-UHFFFAOYSA-N 2 2 384.521 -0.170 20 0 GBADLP CC[N@H+](CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)C ZINC000422471405 1072453111 /nfs/dbraw/zinc/45/31/11/1072453111.db2.gz JGGMJBJCJXDYEE-UHFFFAOYSA-N 2 2 384.521 -0.170 20 0 GBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C ZINC000422472183 1072453245 /nfs/dbraw/zinc/45/32/45/1072453245.db2.gz LKEVMPLGKHLBTL-DLBZAZTESA-N 2 2 396.532 -0.075 20 0 GBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C ZINC000422472183 1072453238 /nfs/dbraw/zinc/45/32/38/1072453238.db2.gz LKEVMPLGKHLBTL-DLBZAZTESA-N 2 2 396.532 -0.075 20 0 GBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C ZINC000422472184 1072452972 /nfs/dbraw/zinc/45/29/72/1072452972.db2.gz LKEVMPLGKHLBTL-IAGOWNOFSA-N 2 2 396.532 -0.075 20 0 GBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C ZINC000422472184 1072452968 /nfs/dbraw/zinc/45/29/68/1072452968.db2.gz LKEVMPLGKHLBTL-IAGOWNOFSA-N 2 2 396.532 -0.075 20 0 GBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C ZINC000422472185 1072453049 /nfs/dbraw/zinc/45/30/49/1072453049.db2.gz LKEVMPLGKHLBTL-IRXDYDNUSA-N 2 2 396.532 -0.075 20 0 GBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C ZINC000422472185 1072453046 /nfs/dbraw/zinc/45/30/46/1072453046.db2.gz LKEVMPLGKHLBTL-IRXDYDNUSA-N 2 2 396.532 -0.075 20 0 GBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C ZINC000422472186 1072453072 /nfs/dbraw/zinc/45/30/72/1072453072.db2.gz LKEVMPLGKHLBTL-SJORKVTESA-N 2 2 396.532 -0.075 20 0 GBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C ZINC000422472186 1072453069 /nfs/dbraw/zinc/45/30/69/1072453069.db2.gz LKEVMPLGKHLBTL-SJORKVTESA-N 2 2 396.532 -0.075 20 0 GBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000422474740 1072453104 /nfs/dbraw/zinc/45/31/04/1072453104.db2.gz QIPLBTHMLBHQDY-UHFFFAOYSA-N 2 2 396.532 -0.216 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422476172 1072453840 /nfs/dbraw/zinc/45/38/40/1072453840.db2.gz UOJXXAMQWZKVIK-UHFFFAOYSA-N 2 2 386.456 -0.427 20 0 GBADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000422476558 1072453889 /nfs/dbraw/zinc/45/38/89/1072453889.db2.gz VSGADZBOBYFONS-UHFFFAOYSA-N 2 2 396.532 -0.073 20 0 GBADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000422476558 1072453882 /nfs/dbraw/zinc/45/38/82/1072453882.db2.gz VSGADZBOBYFONS-UHFFFAOYSA-N 2 2 396.532 -0.073 20 0 GBADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000422476626 1072454001 /nfs/dbraw/zinc/45/40/01/1072454001.db2.gz WCSBXEJUSJBJGY-KRWDZBQOSA-N 2 2 396.532 -0.073 20 0 GBADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000422476627 1072453986 /nfs/dbraw/zinc/45/39/86/1072453986.db2.gz WCSBXEJUSJBJGY-QGZVFWFLSA-N 2 2 396.532 -0.073 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422488086 1072458153 /nfs/dbraw/zinc/45/81/53/1072458153.db2.gz JHYAQAHACIUEBY-INIZCTEOSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422488086 1072458150 /nfs/dbraw/zinc/45/81/50/1072458150.db2.gz JHYAQAHACIUEBY-INIZCTEOSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422488089 1072458243 /nfs/dbraw/zinc/45/82/43/1072458243.db2.gz JHYAQAHACIUEBY-MRXNPFEDSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422488089 1072458238 /nfs/dbraw/zinc/45/82/38/1072458238.db2.gz JHYAQAHACIUEBY-MRXNPFEDSA-N 2 2 384.521 -0.360 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000422494550 1072454999 /nfs/dbraw/zinc/45/49/99/1072454999.db2.gz REWMDCUYZHDBAI-CVEARBPZSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000422494550 1072454994 /nfs/dbraw/zinc/45/49/94/1072454994.db2.gz REWMDCUYZHDBAI-CVEARBPZSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000422494550 1072454989 /nfs/dbraw/zinc/45/49/89/1072454989.db2.gz REWMDCUYZHDBAI-CVEARBPZSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000422494550 1072454985 /nfs/dbraw/zinc/45/49/85/1072454985.db2.gz REWMDCUYZHDBAI-CVEARBPZSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000422494553 1072454919 /nfs/dbraw/zinc/45/49/19/1072454919.db2.gz REWMDCUYZHDBAI-HOTGVXAUSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000422494553 1072454915 /nfs/dbraw/zinc/45/49/15/1072454915.db2.gz REWMDCUYZHDBAI-HOTGVXAUSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000422494553 1072454907 /nfs/dbraw/zinc/45/49/07/1072454907.db2.gz REWMDCUYZHDBAI-HOTGVXAUSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000422494553 1072454901 /nfs/dbraw/zinc/45/49/01/1072454901.db2.gz REWMDCUYZHDBAI-HOTGVXAUSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000422494556 1072455480 /nfs/dbraw/zinc/45/54/80/1072455480.db2.gz REWMDCUYZHDBAI-HZPDHXFCSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000422494556 1072455472 /nfs/dbraw/zinc/45/54/72/1072455472.db2.gz REWMDCUYZHDBAI-HZPDHXFCSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000422494556 1072455462 /nfs/dbraw/zinc/45/54/62/1072455462.db2.gz REWMDCUYZHDBAI-HZPDHXFCSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000422494556 1072455452 /nfs/dbraw/zinc/45/54/52/1072455452.db2.gz REWMDCUYZHDBAI-HZPDHXFCSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000422494560 1072455908 /nfs/dbraw/zinc/45/59/08/1072455908.db2.gz REWMDCUYZHDBAI-JKSUJKDBSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000422494560 1072455904 /nfs/dbraw/zinc/45/59/04/1072455904.db2.gz REWMDCUYZHDBAI-JKSUJKDBSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000422494560 1072455901 /nfs/dbraw/zinc/45/59/01/1072455901.db2.gz REWMDCUYZHDBAI-JKSUJKDBSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000422494560 1072455897 /nfs/dbraw/zinc/45/58/97/1072455897.db2.gz REWMDCUYZHDBAI-JKSUJKDBSA-N 2 2 382.505 -0.070 20 0 GBADLP CC[NH+]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000422500509 1072456754 /nfs/dbraw/zinc/45/67/54/1072456754.db2.gz CVUZEOPGGGSOJX-UHFFFAOYSA-N 2 2 381.521 -0.937 20 0 GBADLP C[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)(N2CCOCC2)CC1 ZINC000422506061 1072458865 /nfs/dbraw/zinc/45/88/65/1072458865.db2.gz VFMIFMKURROJOS-UHFFFAOYSA-N 2 2 393.532 -0.794 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422588507 1072464832 /nfs/dbraw/zinc/46/48/32/1072464832.db2.gz LJASJEFJFUNQCG-AWEZNQCLSA-N 2 2 389.491 -0.074 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422588507 1072464827 /nfs/dbraw/zinc/46/48/27/1072464827.db2.gz LJASJEFJFUNQCG-AWEZNQCLSA-N 2 2 389.491 -0.074 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422588508 1072464727 /nfs/dbraw/zinc/46/47/27/1072464727.db2.gz LJASJEFJFUNQCG-CQSZACIVSA-N 2 2 389.491 -0.074 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422588508 1072464719 /nfs/dbraw/zinc/46/47/19/1072464719.db2.gz LJASJEFJFUNQCG-CQSZACIVSA-N 2 2 389.491 -0.074 20 0 GBADLP CC(C)(CC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422596726 1072468265 /nfs/dbraw/zinc/46/82/65/1072468265.db2.gz ZUWVXMOZZRAIHR-UHFFFAOYSA-N 2 2 398.533 -0.040 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422631111 1072469024 /nfs/dbraw/zinc/46/90/24/1072469024.db2.gz ZZCQRDKCAJSRKA-UHFFFAOYSA-N 2 2 384.521 -0.219 20 0 GBADLP COC[C@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422712029 1072470591 /nfs/dbraw/zinc/47/05/91/1072470591.db2.gz NSNHYBBKVVQQBY-INIZCTEOSA-N 3 2 385.534 -0.123 20 0 GBADLP COC[C@@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422712056 1072470682 /nfs/dbraw/zinc/47/06/82/1072470682.db2.gz NSNHYBBKVVQQBY-MRXNPFEDSA-N 3 2 385.534 -0.123 20 0 GBADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000422911939 1072478462 /nfs/dbraw/zinc/47/84/62/1072478462.db2.gz LTYCDGPFYHQEBQ-DLBZAZTESA-N 3 2 396.532 -0.170 20 0 GBADLP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000422911940 1072478376 /nfs/dbraw/zinc/47/83/76/1072478376.db2.gz LTYCDGPFYHQEBQ-IAGOWNOFSA-N 3 2 396.532 -0.170 20 0 GBADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000422911941 1072478450 /nfs/dbraw/zinc/47/84/50/1072478450.db2.gz LTYCDGPFYHQEBQ-IRXDYDNUSA-N 3 2 396.532 -0.170 20 0 GBADLP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000422911942 1072478396 /nfs/dbraw/zinc/47/83/96/1072478396.db2.gz LTYCDGPFYHQEBQ-SJORKVTESA-N 3 2 396.532 -0.170 20 0 GBADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc(C)[nH+]1 ZINC000422973839 1072483700 /nfs/dbraw/zinc/48/37/00/1072483700.db2.gz PQHKVNPIGCRTKA-KRWDZBQOSA-N 2 2 387.484 -0.015 20 0 GBADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(C)[nH+]1 ZINC000422973840 1072483561 /nfs/dbraw/zinc/48/35/61/1072483561.db2.gz PQHKVNPIGCRTKA-QGZVFWFLSA-N 2 2 387.484 -0.015 20 0 GBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000422974323 1072483476 /nfs/dbraw/zinc/48/34/76/1072483476.db2.gz DOLNKBUYZLQZTG-CVEARBPZSA-N 2 2 379.505 -0.743 20 0 GBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000422974324 1072483781 /nfs/dbraw/zinc/48/37/81/1072483781.db2.gz DOLNKBUYZLQZTG-HOTGVXAUSA-N 2 2 379.505 -0.743 20 0 GBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000422974325 1072483490 /nfs/dbraw/zinc/48/34/90/1072483490.db2.gz DOLNKBUYZLQZTG-HZPDHXFCSA-N 2 2 379.505 -0.743 20 0 GBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000422974326 1072483750 /nfs/dbraw/zinc/48/37/50/1072483750.db2.gz DOLNKBUYZLQZTG-JKSUJKDBSA-N 2 2 379.505 -0.743 20 0 GBADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000422990135 1072482847 /nfs/dbraw/zinc/48/28/47/1072482847.db2.gz MUGSWBDOELGMJQ-HNNXBMFYSA-N 2 2 388.472 -0.956 20 0 GBADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000422990136 1072482711 /nfs/dbraw/zinc/48/27/11/1072482711.db2.gz MUGSWBDOELGMJQ-OAHLLOKOSA-N 2 2 388.472 -0.956 20 0 GBADLP O=C(C(=O)N1CC[NH2+]CC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000423017439 1072485916 /nfs/dbraw/zinc/48/59/16/1072485916.db2.gz ONJJXDXMLQGFLR-UHFFFAOYSA-N 2 2 375.473 -0.436 20 0 GBADLP CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423017502 530356454 /nfs/dbraw/zinc/35/64/54/530356454.db2.gz PATBZXMVMVBKAJ-CABCVRRESA-N 2 2 375.539 -0.758 20 0 GBADLP CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H](C)[NH3+] ZINC000423017503 530356482 /nfs/dbraw/zinc/35/64/82/530356482.db2.gz PATBZXMVMVBKAJ-GJZGRUSLSA-N 2 2 375.539 -0.758 20 0 GBADLP CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423017504 530356528 /nfs/dbraw/zinc/35/65/28/530356528.db2.gz PATBZXMVMVBKAJ-HUUCEWRRSA-N 2 2 375.539 -0.758 20 0 GBADLP CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H](C)[NH3+] ZINC000423017505 530356558 /nfs/dbraw/zinc/35/65/58/530356558.db2.gz PATBZXMVMVBKAJ-LSDHHAIUSA-N 2 2 375.539 -0.758 20 0 GBADLP C[C@H]([NH3+])c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000423019114 1072486724 /nfs/dbraw/zinc/48/67/24/1072486724.db2.gz UAMQERQENDCXAX-HNNXBMFYSA-N 2 2 395.529 -0.044 20 0 GBADLP C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000423019115 1072486850 /nfs/dbraw/zinc/48/68/50/1072486850.db2.gz UAMQERQENDCXAX-OAHLLOKOSA-N 2 2 395.529 -0.044 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC[NH2+]1 ZINC000423019543 1072487039 /nfs/dbraw/zinc/48/70/39/1072487039.db2.gz WDMASEDKMQLUPV-KRWDZBQOSA-N 2 2 389.500 -0.047 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC[NH2+]1 ZINC000423019544 1072487018 /nfs/dbraw/zinc/48/70/18/1072487018.db2.gz WDMASEDKMQLUPV-QGZVFWFLSA-N 2 2 389.500 -0.047 20 0 GBADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423026381 1072487453 /nfs/dbraw/zinc/48/74/53/1072487453.db2.gz AZLQGMRTVOWAMM-HNNXBMFYSA-N 2 2 390.488 -0.257 20 0 GBADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423026382 1072487757 /nfs/dbraw/zinc/48/77/57/1072487757.db2.gz AZLQGMRTVOWAMM-OAHLLOKOSA-N 2 2 390.488 -0.257 20 0 GBADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423035704 1072489134 /nfs/dbraw/zinc/48/91/34/1072489134.db2.gz JSOLRMYKSSPDNJ-DOTOQJQBSA-N 2 2 378.448 -0.131 20 0 GBADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423040231 1072489971 /nfs/dbraw/zinc/48/99/71/1072489971.db2.gz SQISGEWVSKWJQO-DLBZAZTESA-N 2 2 378.448 -0.131 20 0 GBADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000423046732 1072487534 /nfs/dbraw/zinc/48/75/34/1072487534.db2.gz FCWLFGXOFFOKAH-UHFFFAOYSA-N 2 2 388.476 -0.545 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423046917 1072487674 /nfs/dbraw/zinc/48/76/74/1072487674.db2.gz FJBNJLNDHXQOGP-UHFFFAOYSA-N 2 2 386.460 -0.778 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)[NH2+]1 ZINC000423047545 1072487815 /nfs/dbraw/zinc/48/78/15/1072487815.db2.gz GPCPUDUBEUWMGD-BETUJISGSA-N 2 2 386.460 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H](C)[NH2+]1 ZINC000423047546 1072487512 /nfs/dbraw/zinc/48/75/12/1072487512.db2.gz GPCPUDUBEUWMGD-CHWSQXEVSA-N 2 2 386.460 -0.779 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)[NH2+]1 ZINC000423047548 1072487685 /nfs/dbraw/zinc/48/76/85/1072487685.db2.gz GPCPUDUBEUWMGD-STQMWFEESA-N 2 2 386.460 -0.779 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423052077 1072495363 /nfs/dbraw/zinc/49/53/63/1072495363.db2.gz PBOZOUMRUYHFFO-OKILXGFUSA-N 2 2 398.471 -0.635 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000423060661 1072492017 /nfs/dbraw/zinc/49/20/17/1072492017.db2.gz OVOLRDVXDMGYCO-MSOLQXFVSA-N 2 2 396.532 -0.088 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000423060662 1072491999 /nfs/dbraw/zinc/49/19/99/1072491999.db2.gz OVOLRDVXDMGYCO-QZTJIDSGSA-N 2 2 396.532 -0.088 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000423060663 1072492074 /nfs/dbraw/zinc/49/20/74/1072492074.db2.gz OVOLRDVXDMGYCO-ROUUACIJSA-N 2 2 396.532 -0.088 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000423060664 1072491760 /nfs/dbraw/zinc/49/17/60/1072491760.db2.gz OVOLRDVXDMGYCO-ZWKOTPCHSA-N 2 2 396.532 -0.088 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423068040 1072493042 /nfs/dbraw/zinc/49/30/42/1072493042.db2.gz AQUIWJBKXQCANY-HOTGVXAUSA-N 2 2 381.521 -0.402 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423068040 1072493038 /nfs/dbraw/zinc/49/30/38/1072493038.db2.gz AQUIWJBKXQCANY-HOTGVXAUSA-N 2 2 381.521 -0.402 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423068041 1072492974 /nfs/dbraw/zinc/49/29/74/1072492974.db2.gz AQUIWJBKXQCANY-HZPDHXFCSA-N 2 2 381.521 -0.402 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423068041 1072492968 /nfs/dbraw/zinc/49/29/68/1072492968.db2.gz AQUIWJBKXQCANY-HZPDHXFCSA-N 2 2 381.521 -0.402 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423068042 1072492798 /nfs/dbraw/zinc/49/27/98/1072492798.db2.gz AQUIWJBKXQCANY-IYBDPMFKSA-N 2 2 381.521 -0.402 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423068042 1072492790 /nfs/dbraw/zinc/49/27/90/1072492790.db2.gz AQUIWJBKXQCANY-IYBDPMFKSA-N 2 2 381.521 -0.402 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423072257 1072493595 /nfs/dbraw/zinc/49/35/95/1072493595.db2.gz IVZBUPFILMRUQZ-CALCHBBNSA-N 2 2 393.532 -0.258 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423072257 1072493587 /nfs/dbraw/zinc/49/35/87/1072493587.db2.gz IVZBUPFILMRUQZ-CALCHBBNSA-N 2 2 393.532 -0.258 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423072489 1072493671 /nfs/dbraw/zinc/49/36/71/1072493671.db2.gz JMRVASKJSSYTQK-UHFFFAOYSA-N 2 2 383.537 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423072489 1072493668 /nfs/dbraw/zinc/49/36/68/1072493668.db2.gz JMRVASKJSSYTQK-UHFFFAOYSA-N 2 2 383.537 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423076981 1072495580 /nfs/dbraw/zinc/49/55/80/1072495580.db2.gz KWDDLRFQPHNWDY-DLBZAZTESA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423076981 1072495577 /nfs/dbraw/zinc/49/55/77/1072495577.db2.gz KWDDLRFQPHNWDY-DLBZAZTESA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423076982 1072495479 /nfs/dbraw/zinc/49/54/79/1072495479.db2.gz KWDDLRFQPHNWDY-IAGOWNOFSA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423076982 1072495469 /nfs/dbraw/zinc/49/54/69/1072495469.db2.gz KWDDLRFQPHNWDY-IAGOWNOFSA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423076983 1072495651 /nfs/dbraw/zinc/49/56/51/1072495651.db2.gz KWDDLRFQPHNWDY-IRXDYDNUSA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423076983 1072495647 /nfs/dbraw/zinc/49/56/47/1072495647.db2.gz KWDDLRFQPHNWDY-IRXDYDNUSA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423076984 1072495546 /nfs/dbraw/zinc/49/55/46/1072495546.db2.gz KWDDLRFQPHNWDY-SJORKVTESA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423076984 1072495538 /nfs/dbraw/zinc/49/55/38/1072495538.db2.gz KWDDLRFQPHNWDY-SJORKVTESA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423077914 1072496574 /nfs/dbraw/zinc/49/65/74/1072496574.db2.gz NJLRBSXNYBZINX-FQEVSTJZSA-N 2 2 393.532 -0.399 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423077914 1072496571 /nfs/dbraw/zinc/49/65/71/1072496571.db2.gz NJLRBSXNYBZINX-FQEVSTJZSA-N 2 2 393.532 -0.399 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423077915 1072496525 /nfs/dbraw/zinc/49/65/25/1072496525.db2.gz NJLRBSXNYBZINX-HXUWFJFHSA-N 2 2 393.532 -0.399 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423077915 1072496521 /nfs/dbraw/zinc/49/65/21/1072496521.db2.gz NJLRBSXNYBZINX-HXUWFJFHSA-N 2 2 393.532 -0.399 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078247 1072496536 /nfs/dbraw/zinc/49/65/36/1072496536.db2.gz NYRFURPHZDZXMM-IYBDPMFKSA-N 2 2 379.505 -0.933 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078247 1072496532 /nfs/dbraw/zinc/49/65/32/1072496532.db2.gz NYRFURPHZDZXMM-IYBDPMFKSA-N 2 2 379.505 -0.933 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423078689 1072496449 /nfs/dbraw/zinc/49/64/49/1072496449.db2.gz OYZFTWYLPMQKTC-DLBZAZTESA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423078689 1072496443 /nfs/dbraw/zinc/49/64/43/1072496443.db2.gz OYZFTWYLPMQKTC-DLBZAZTESA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423078690 1072496550 /nfs/dbraw/zinc/49/65/50/1072496550.db2.gz OYZFTWYLPMQKTC-IAGOWNOFSA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423078690 1072496547 /nfs/dbraw/zinc/49/65/47/1072496547.db2.gz OYZFTWYLPMQKTC-IAGOWNOFSA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078691 1072496349 /nfs/dbraw/zinc/49/63/49/1072496349.db2.gz OYZFTWYLPMQKTC-IRXDYDNUSA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078691 1072496343 /nfs/dbraw/zinc/49/63/43/1072496343.db2.gz OYZFTWYLPMQKTC-IRXDYDNUSA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078692 1072496509 /nfs/dbraw/zinc/49/65/09/1072496509.db2.gz OYZFTWYLPMQKTC-SJORKVTESA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078692 1072496502 /nfs/dbraw/zinc/49/65/02/1072496502.db2.gz OYZFTWYLPMQKTC-SJORKVTESA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423078778 1072496627 /nfs/dbraw/zinc/49/66/27/1072496627.db2.gz PGUGWSXPJJDXSC-DLBZAZTESA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423078778 1072496618 /nfs/dbraw/zinc/49/66/18/1072496618.db2.gz PGUGWSXPJJDXSC-DLBZAZTESA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423078780 1072496011 /nfs/dbraw/zinc/49/60/11/1072496011.db2.gz PGUGWSXPJJDXSC-IAGOWNOFSA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423078780 1072496004 /nfs/dbraw/zinc/49/60/04/1072496004.db2.gz PGUGWSXPJJDXSC-IAGOWNOFSA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423078782 1072496472 /nfs/dbraw/zinc/49/64/72/1072496472.db2.gz PGUGWSXPJJDXSC-IRXDYDNUSA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423078782 1072496469 /nfs/dbraw/zinc/49/64/69/1072496469.db2.gz PGUGWSXPJJDXSC-IRXDYDNUSA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423078784 1072496042 /nfs/dbraw/zinc/49/60/42/1072496042.db2.gz PGUGWSXPJJDXSC-SJORKVTESA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423078784 1072496031 /nfs/dbraw/zinc/49/60/31/1072496031.db2.gz PGUGWSXPJJDXSC-SJORKVTESA-N 2 2 393.532 -0.543 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423078835 1072496153 /nfs/dbraw/zinc/49/61/53/1072496153.db2.gz PIKRADSBQHHFJP-DLBZAZTESA-N 2 2 393.532 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423078835 1072496149 /nfs/dbraw/zinc/49/61/49/1072496149.db2.gz PIKRADSBQHHFJP-DLBZAZTESA-N 2 2 393.532 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423078836 1072496544 /nfs/dbraw/zinc/49/65/44/1072496544.db2.gz PIKRADSBQHHFJP-IAGOWNOFSA-N 2 2 393.532 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423078836 1072496541 /nfs/dbraw/zinc/49/65/41/1072496541.db2.gz PIKRADSBQHHFJP-IAGOWNOFSA-N 2 2 393.532 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423078837 1072496309 /nfs/dbraw/zinc/49/63/09/1072496309.db2.gz PIKRADSBQHHFJP-IRXDYDNUSA-N 2 2 393.532 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423078837 1072496308 /nfs/dbraw/zinc/49/63/08/1072496308.db2.gz PIKRADSBQHHFJP-IRXDYDNUSA-N 2 2 393.532 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423078838 1072496249 /nfs/dbraw/zinc/49/62/49/1072496249.db2.gz PIKRADSBQHHFJP-SJORKVTESA-N 2 2 393.532 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423078838 1072496247 /nfs/dbraw/zinc/49/62/47/1072496247.db2.gz PIKRADSBQHHFJP-SJORKVTESA-N 2 2 393.532 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423081219 1072496332 /nfs/dbraw/zinc/49/63/32/1072496332.db2.gz UQJBCLVNGSSZDQ-KRWDZBQOSA-N 2 2 395.548 -0.024 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423081219 1072496325 /nfs/dbraw/zinc/49/63/25/1072496325.db2.gz UQJBCLVNGSSZDQ-KRWDZBQOSA-N 2 2 395.548 -0.024 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423081220 1072496090 /nfs/dbraw/zinc/49/60/90/1072496090.db2.gz UQJBCLVNGSSZDQ-QGZVFWFLSA-N 2 2 395.548 -0.024 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423081220 1072496083 /nfs/dbraw/zinc/49/60/83/1072496083.db2.gz UQJBCLVNGSSZDQ-QGZVFWFLSA-N 2 2 395.548 -0.024 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423082178 1072496169 /nfs/dbraw/zinc/49/61/69/1072496169.db2.gz WIKIHXOIRLVTTN-CVEARBPZSA-N 2 2 381.521 -0.415 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423082178 1072496166 /nfs/dbraw/zinc/49/61/66/1072496166.db2.gz WIKIHXOIRLVTTN-CVEARBPZSA-N 2 2 381.521 -0.415 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423082179 1072496129 /nfs/dbraw/zinc/49/61/29/1072496129.db2.gz WIKIHXOIRLVTTN-HOTGVXAUSA-N 2 2 381.521 -0.415 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423082179 1072496117 /nfs/dbraw/zinc/49/61/17/1072496117.db2.gz WIKIHXOIRLVTTN-HOTGVXAUSA-N 2 2 381.521 -0.415 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423082180 1072496584 /nfs/dbraw/zinc/49/65/84/1072496584.db2.gz WIKIHXOIRLVTTN-HZPDHXFCSA-N 2 2 381.521 -0.415 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423082180 1072496582 /nfs/dbraw/zinc/49/65/82/1072496582.db2.gz WIKIHXOIRLVTTN-HZPDHXFCSA-N 2 2 381.521 -0.415 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423082181 1072496287 /nfs/dbraw/zinc/49/62/87/1072496287.db2.gz WIKIHXOIRLVTTN-JKSUJKDBSA-N 2 2 381.521 -0.415 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423082181 1072496282 /nfs/dbraw/zinc/49/62/82/1072496282.db2.gz WIKIHXOIRLVTTN-JKSUJKDBSA-N 2 2 381.521 -0.415 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423082506 1072496419 /nfs/dbraw/zinc/49/64/19/1072496419.db2.gz XALAPANPLADHLJ-OXQOHEQNSA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423082506 1072496417 /nfs/dbraw/zinc/49/64/17/1072496417.db2.gz XALAPANPLADHLJ-OXQOHEQNSA-N 2 2 395.548 -0.168 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000423083136 1072497447 /nfs/dbraw/zinc/49/74/47/1072497447.db2.gz YIYCMJAKIQTAMZ-INIZCTEOSA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000423083136 1072497445 /nfs/dbraw/zinc/49/74/45/1072497445.db2.gz YIYCMJAKIQTAMZ-INIZCTEOSA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000423083137 1072497551 /nfs/dbraw/zinc/49/75/51/1072497551.db2.gz YIYCMJAKIQTAMZ-MRXNPFEDSA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000423083137 1072497546 /nfs/dbraw/zinc/49/75/46/1072497546.db2.gz YIYCMJAKIQTAMZ-MRXNPFEDSA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423083254 1072497424 /nfs/dbraw/zinc/49/74/24/1072497424.db2.gz YLKFGCKUGGHWJT-UHFFFAOYSA-N 2 2 381.521 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423083254 1072497422 /nfs/dbraw/zinc/49/74/22/1072497422.db2.gz YLKFGCKUGGHWJT-UHFFFAOYSA-N 2 2 381.521 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423083604 1072497365 /nfs/dbraw/zinc/49/73/65/1072497365.db2.gz ZCEDIKHYDLUTGK-DLBZAZTESA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423083604 1072497358 /nfs/dbraw/zinc/49/73/58/1072497358.db2.gz ZCEDIKHYDLUTGK-DLBZAZTESA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423083606 1072497486 /nfs/dbraw/zinc/49/74/86/1072497486.db2.gz ZCEDIKHYDLUTGK-IAGOWNOFSA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423083606 1072497483 /nfs/dbraw/zinc/49/74/83/1072497483.db2.gz ZCEDIKHYDLUTGK-IAGOWNOFSA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423083608 1072497399 /nfs/dbraw/zinc/49/73/99/1072497399.db2.gz ZCEDIKHYDLUTGK-IRXDYDNUSA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423083608 1072497396 /nfs/dbraw/zinc/49/73/96/1072497396.db2.gz ZCEDIKHYDLUTGK-IRXDYDNUSA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423083610 1072497465 /nfs/dbraw/zinc/49/74/65/1072497465.db2.gz ZCEDIKHYDLUTGK-SJORKVTESA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423083610 1072497463 /nfs/dbraw/zinc/49/74/63/1072497463.db2.gz ZCEDIKHYDLUTGK-SJORKVTESA-N 2 2 395.548 -0.025 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000423083912 1072497576 /nfs/dbraw/zinc/49/75/76/1072497576.db2.gz ZLSYWZDHVKTSIB-INIZCTEOSA-N 2 2 381.521 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000423083912 1072497574 /nfs/dbraw/zinc/49/75/74/1072497574.db2.gz ZLSYWZDHVKTSIB-INIZCTEOSA-N 2 2 381.521 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000423083913 1072497521 /nfs/dbraw/zinc/49/75/21/1072497521.db2.gz ZLSYWZDHVKTSIB-MRXNPFEDSA-N 2 2 381.521 -0.401 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000423083913 1072497517 /nfs/dbraw/zinc/49/75/17/1072497517.db2.gz ZLSYWZDHVKTSIB-MRXNPFEDSA-N 2 2 381.521 -0.401 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000423187846 1072504306 /nfs/dbraw/zinc/50/43/06/1072504306.db2.gz NCPCBMFFLFXZOE-CYBMUJFWSA-N 2 2 380.411 -0.080 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000423187847 1072504240 /nfs/dbraw/zinc/50/42/40/1072504240.db2.gz NCPCBMFFLFXZOE-ZDUSSCGKSA-N 2 2 380.411 -0.080 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)[NH2+]1 ZINC000423270228 1072513816 /nfs/dbraw/zinc/51/38/16/1072513816.db2.gz HWJDIJPQYNZSAD-HOTGVXAUSA-N 2 2 393.532 -0.402 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)[NH2+]1 ZINC000423270229 1072513468 /nfs/dbraw/zinc/51/34/68/1072513468.db2.gz HWJDIJPQYNZSAD-HZPDHXFCSA-N 2 2 393.532 -0.402 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)[NH2+]1 ZINC000423270230 1072514052 /nfs/dbraw/zinc/51/40/52/1072514052.db2.gz HWJDIJPQYNZSAD-IYBDPMFKSA-N 2 2 393.532 -0.402 20 0 GBADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)CC1 ZINC000423285087 1072513434 /nfs/dbraw/zinc/51/34/34/1072513434.db2.gz YUYMEGVFGUFFAR-UHFFFAOYSA-N 2 2 393.532 -0.401 20 0 GBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423326186 1072516157 /nfs/dbraw/zinc/51/61/57/1072516157.db2.gz MIMYRCMQSVPYRT-BBWFWOEESA-N 2 2 381.521 -0.940 20 0 GBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423326186 1072516151 /nfs/dbraw/zinc/51/61/51/1072516151.db2.gz MIMYRCMQSVPYRT-BBWFWOEESA-N 2 2 381.521 -0.940 20 0 GBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423326190 1072516552 /nfs/dbraw/zinc/51/65/52/1072516552.db2.gz MIMYRCMQSVPYRT-IXDOHACOSA-N 2 2 381.521 -0.940 20 0 GBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423326190 1072516539 /nfs/dbraw/zinc/51/65/39/1072516539.db2.gz MIMYRCMQSVPYRT-IXDOHACOSA-N 2 2 381.521 -0.940 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423357428 1072517978 /nfs/dbraw/zinc/51/79/78/1072517978.db2.gz AKSVQJUOHMIOCU-KRWDZBQOSA-N 2 2 381.521 -0.938 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423357429 1072517949 /nfs/dbraw/zinc/51/79/49/1072517949.db2.gz AKSVQJUOHMIOCU-QGZVFWFLSA-N 2 2 381.521 -0.938 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000423364112 1072519316 /nfs/dbraw/zinc/51/93/16/1072519316.db2.gz JMWMXIHPJOQLSW-MSOLQXFVSA-N 2 2 396.532 -0.090 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423372532 1072517021 /nfs/dbraw/zinc/51/70/21/1072517021.db2.gz QZYHEHYKCUYMAH-UHFFFAOYSA-N 2 2 384.521 -0.088 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[N@H+]1C ZINC000423378350 1072520132 /nfs/dbraw/zinc/52/01/32/1072520132.db2.gz KWPLUCAONOOIJT-CVEARBPZSA-N 2 2 379.505 -0.792 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[N@@H+]1C ZINC000423378350 1072520124 /nfs/dbraw/zinc/52/01/24/1072520124.db2.gz KWPLUCAONOOIJT-CVEARBPZSA-N 2 2 379.505 -0.792 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[N@H+]1C ZINC000423378353 1072520056 /nfs/dbraw/zinc/52/00/56/1072520056.db2.gz KWPLUCAONOOIJT-HOTGVXAUSA-N 2 2 379.505 -0.792 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[N@@H+]1C ZINC000423378353 1072520048 /nfs/dbraw/zinc/52/00/48/1072520048.db2.gz KWPLUCAONOOIJT-HOTGVXAUSA-N 2 2 379.505 -0.792 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[N@H+]1C ZINC000423378355 1072520094 /nfs/dbraw/zinc/52/00/94/1072520094.db2.gz KWPLUCAONOOIJT-HZPDHXFCSA-N 2 2 379.505 -0.792 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[N@@H+]1C ZINC000423378355 1072520086 /nfs/dbraw/zinc/52/00/86/1072520086.db2.gz KWPLUCAONOOIJT-HZPDHXFCSA-N 2 2 379.505 -0.792 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[N@H+]1C ZINC000423378358 1072519831 /nfs/dbraw/zinc/51/98/31/1072519831.db2.gz KWPLUCAONOOIJT-JKSUJKDBSA-N 2 2 379.505 -0.792 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[N@@H+]1C ZINC000423378358 1072519821 /nfs/dbraw/zinc/51/98/21/1072519821.db2.gz KWPLUCAONOOIJT-JKSUJKDBSA-N 2 2 379.505 -0.792 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423378824 1072519755 /nfs/dbraw/zinc/51/97/55/1072519755.db2.gz WRILGHSSWQMNEN-KRWDZBQOSA-N 2 2 381.521 -0.938 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423378825 1072519849 /nfs/dbraw/zinc/51/98/49/1072519849.db2.gz WRILGHSSWQMNEN-QGZVFWFLSA-N 2 2 381.521 -0.938 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000423378952 1072519706 /nfs/dbraw/zinc/51/97/06/1072519706.db2.gz XBDKDIHDJMCRSG-KRWDZBQOSA-N 2 2 396.532 -0.231 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000423378954 1072519997 /nfs/dbraw/zinc/51/99/97/1072519997.db2.gz XBDKDIHDJMCRSG-QGZVFWFLSA-N 2 2 396.532 -0.231 20 0 GBADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000423390880 1072521126 /nfs/dbraw/zinc/52/11/26/1072521126.db2.gz WJTAFCRWAOUFPK-GDBMZVCRSA-N 2 2 389.456 -0.625 20 0 GBADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000423390881 1072521396 /nfs/dbraw/zinc/52/13/96/1072521396.db2.gz WJTAFCRWAOUFPK-GOEBONIOSA-N 2 2 389.456 -0.625 20 0 GBADLP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423458418 1072526210 /nfs/dbraw/zinc/52/62/10/1072526210.db2.gz JVFGFQGOYWTQOR-HOTGVXAUSA-N 2 2 382.505 -0.465 20 0 GBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000423458419 1072525831 /nfs/dbraw/zinc/52/58/31/1072525831.db2.gz JVFGFQGOYWTQOR-HZPDHXFCSA-N 2 2 382.505 -0.465 20 0 GBADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423458420 1072526233 /nfs/dbraw/zinc/52/62/33/1072526233.db2.gz JVFGFQGOYWTQOR-IYBDPMFKSA-N 2 2 382.505 -0.465 20 0 GBADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000423458420 1072526227 /nfs/dbraw/zinc/52/62/27/1072526227.db2.gz JVFGFQGOYWTQOR-IYBDPMFKSA-N 2 2 382.505 -0.465 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000423461171 1072526134 /nfs/dbraw/zinc/52/61/34/1072526134.db2.gz NMPXYKCBMRINSU-BRWVUGGUSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000423461173 1072525912 /nfs/dbraw/zinc/52/59/12/1072525912.db2.gz NMPXYKCBMRINSU-GVDBMIGSSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423461174 1072525671 /nfs/dbraw/zinc/52/56/71/1072525671.db2.gz NMPXYKCBMRINSU-IKGGRYGDSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423461175 1072526050 /nfs/dbraw/zinc/52/60/50/1072526050.db2.gz NMPXYKCBMRINSU-ULQDDVLXSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000423461176 1072525806 /nfs/dbraw/zinc/52/58/06/1072525806.db2.gz NMPXYKCBMRINSU-YESZJQIVSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000423461176 1072525798 /nfs/dbraw/zinc/52/57/98/1072525798.db2.gz NMPXYKCBMRINSU-YESZJQIVSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423461177 1072525994 /nfs/dbraw/zinc/52/59/94/1072525994.db2.gz NMPXYKCBMRINSU-ZACQAIPSSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423461177 1072525982 /nfs/dbraw/zinc/52/59/82/1072525982.db2.gz NMPXYKCBMRINSU-ZACQAIPSSA-N 2 2 396.532 -0.077 20 0 GBADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000423530139 1072529830 /nfs/dbraw/zinc/52/98/30/1072529830.db2.gz WJTAFCRWAOUFPK-HOCLYGCPSA-N 2 2 389.456 -0.625 20 0 GBADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000423530140 1072530035 /nfs/dbraw/zinc/53/00/35/1072530035.db2.gz WJTAFCRWAOUFPK-ZBFHGGJFSA-N 2 2 389.456 -0.625 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@@H](C)C1 ZINC000423534606 1072529623 /nfs/dbraw/zinc/52/96/23/1072529623.db2.gz ALIUOMFBNPTMAM-HNNXBMFYSA-N 2 2 398.504 -0.561 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@@H](C)C1 ZINC000423534606 1072529615 /nfs/dbraw/zinc/52/96/15/1072529615.db2.gz ALIUOMFBNPTMAM-HNNXBMFYSA-N 2 2 398.504 -0.561 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@H](C)C1 ZINC000423534607 1072530292 /nfs/dbraw/zinc/53/02/92/1072530292.db2.gz ALIUOMFBNPTMAM-OAHLLOKOSA-N 2 2 398.504 -0.561 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@H](C)C1 ZINC000423534607 1072530286 /nfs/dbraw/zinc/53/02/86/1072530286.db2.gz ALIUOMFBNPTMAM-OAHLLOKOSA-N 2 2 398.504 -0.561 20 0 GBADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000423535158 1072532558 /nfs/dbraw/zinc/53/25/58/1072532558.db2.gz CETUJYIUUVCATR-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000423535158 1072532549 /nfs/dbraw/zinc/53/25/49/1072532549.db2.gz CETUJYIUUVCATR-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000423535159 1072534116 /nfs/dbraw/zinc/53/41/16/1072534116.db2.gz CETUJYIUUVCATR-OAHLLOKOSA-N 2 2 382.505 -0.070 20 0 GBADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000423535159 1072534107 /nfs/dbraw/zinc/53/41/07/1072534107.db2.gz CETUJYIUUVCATR-OAHLLOKOSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@@H](C)C1 ZINC000423535573 1072533157 /nfs/dbraw/zinc/53/31/57/1072533157.db2.gz DKAFYDRWQUJOHZ-JONQDZQNSA-N 2 2 380.489 -0.332 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@@H](C)C1 ZINC000423535573 1072533150 /nfs/dbraw/zinc/53/31/50/1072533150.db2.gz DKAFYDRWQUJOHZ-JONQDZQNSA-N 2 2 380.489 -0.332 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@H](C)C1 ZINC000423535574 1072533090 /nfs/dbraw/zinc/53/30/90/1072533090.db2.gz DKAFYDRWQUJOHZ-QXSJWSMHSA-N 2 2 380.489 -0.332 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@H](C)C1 ZINC000423535574 1072533082 /nfs/dbraw/zinc/53/30/82/1072533082.db2.gz DKAFYDRWQUJOHZ-QXSJWSMHSA-N 2 2 380.489 -0.332 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@H](C)C1 ZINC000423535575 1072533020 /nfs/dbraw/zinc/53/30/20/1072533020.db2.gz DKAFYDRWQUJOHZ-UGUYLWEFSA-N 2 2 380.489 -0.332 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@H](C)C1 ZINC000423535575 1072533011 /nfs/dbraw/zinc/53/30/11/1072533011.db2.gz DKAFYDRWQUJOHZ-UGUYLWEFSA-N 2 2 380.489 -0.332 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@@H](C)C1 ZINC000423535576 1072532849 /nfs/dbraw/zinc/53/28/49/1072532849.db2.gz DKAFYDRWQUJOHZ-VGWMRTNUSA-N 2 2 380.489 -0.332 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@@H](C)C1 ZINC000423535576 1072532836 /nfs/dbraw/zinc/53/28/36/1072532836.db2.gz DKAFYDRWQUJOHZ-VGWMRTNUSA-N 2 2 380.489 -0.332 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423537497 1072533794 /nfs/dbraw/zinc/53/37/94/1072533794.db2.gz KDKVRXRLLLKZOY-HNNXBMFYSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423537497 1072533785 /nfs/dbraw/zinc/53/37/85/1072533785.db2.gz KDKVRXRLLLKZOY-HNNXBMFYSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423537498 1072533951 /nfs/dbraw/zinc/53/39/51/1072533951.db2.gz KDKVRXRLLLKZOY-OAHLLOKOSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423537498 1072533946 /nfs/dbraw/zinc/53/39/46/1072533946.db2.gz KDKVRXRLLLKZOY-OAHLLOKOSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000423537671 1072533623 /nfs/dbraw/zinc/53/36/23/1072533623.db2.gz KMCHNGZBEHZLFZ-HNNXBMFYSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000423537671 1072533615 /nfs/dbraw/zinc/53/36/15/1072533615.db2.gz KMCHNGZBEHZLFZ-HNNXBMFYSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)[C@H](C)C1 ZINC000423537672 1072534186 /nfs/dbraw/zinc/53/41/86/1072534186.db2.gz KMCHNGZBEHZLFZ-OAHLLOKOSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)[C@H](C)C1 ZINC000423537672 1072534179 /nfs/dbraw/zinc/53/41/79/1072534179.db2.gz KMCHNGZBEHZLFZ-OAHLLOKOSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[C@H](C)C1 ZINC000423539822 1072533827 /nfs/dbraw/zinc/53/38/27/1072533827.db2.gz PJKNGNQJNOXVLH-BEFAXECRSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[C@H](C)C1 ZINC000423539822 1072533822 /nfs/dbraw/zinc/53/38/22/1072533822.db2.gz PJKNGNQJNOXVLH-BEFAXECRSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[C@H](C)C1 ZINC000423539823 1072533977 /nfs/dbraw/zinc/53/39/77/1072533977.db2.gz PJKNGNQJNOXVLH-DNVCBOLYSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[C@H](C)C1 ZINC000423539823 1072533971 /nfs/dbraw/zinc/53/39/71/1072533971.db2.gz PJKNGNQJNOXVLH-DNVCBOLYSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[C@@H](C)C1 ZINC000423539824 1072534159 /nfs/dbraw/zinc/53/41/59/1072534159.db2.gz PJKNGNQJNOXVLH-HNAYVOBHSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[C@@H](C)C1 ZINC000423539824 1072534150 /nfs/dbraw/zinc/53/41/50/1072534150.db2.gz PJKNGNQJNOXVLH-HNAYVOBHSA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H](C)C1 ZINC000423539825 1072533522 /nfs/dbraw/zinc/53/35/22/1072533522.db2.gz PJKNGNQJNOXVLH-KXBFYZLASA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H](C)C1 ZINC000423539825 1072533506 /nfs/dbraw/zinc/53/35/06/1072533506.db2.gz PJKNGNQJNOXVLH-KXBFYZLASA-N 2 2 380.489 -0.316 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@@H](C)C1 ZINC000423541168 1072534058 /nfs/dbraw/zinc/53/40/58/1072534058.db2.gz RKEUXXJUDWRZBS-BBWFWOEESA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@@H](C)C1 ZINC000423541168 1072534046 /nfs/dbraw/zinc/53/40/46/1072534046.db2.gz RKEUXXJUDWRZBS-BBWFWOEESA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@H](C)C1 ZINC000423541169 1072533918 /nfs/dbraw/zinc/53/39/18/1072533918.db2.gz RKEUXXJUDWRZBS-IKGGRYGDSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@H](C)C1 ZINC000423541169 1072533907 /nfs/dbraw/zinc/53/39/07/1072533907.db2.gz RKEUXXJUDWRZBS-IKGGRYGDSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@@H](C)C1 ZINC000423541171 1072533558 /nfs/dbraw/zinc/53/35/58/1072533558.db2.gz RKEUXXJUDWRZBS-ULQDDVLXSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@@H](C)C1 ZINC000423541171 1072533547 /nfs/dbraw/zinc/53/35/47/1072533547.db2.gz RKEUXXJUDWRZBS-ULQDDVLXSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@H](C)C1 ZINC000423541173 1072533996 /nfs/dbraw/zinc/53/39/96/1072533996.db2.gz RKEUXXJUDWRZBS-ZACQAIPSSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@H](C)C1 ZINC000423541173 1072533994 /nfs/dbraw/zinc/53/39/94/1072533994.db2.gz RKEUXXJUDWRZBS-ZACQAIPSSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423543266 1072534928 /nfs/dbraw/zinc/53/49/28/1072534928.db2.gz UUQXIKNKZGNEKA-DOTOQJQBSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423543266 1072534915 /nfs/dbraw/zinc/53/49/15/1072534915.db2.gz UUQXIKNKZGNEKA-DOTOQJQBSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423543268 1072534960 /nfs/dbraw/zinc/53/49/60/1072534960.db2.gz UUQXIKNKZGNEKA-NVXWUHKLSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423543268 1072534951 /nfs/dbraw/zinc/53/49/51/1072534951.db2.gz UUQXIKNKZGNEKA-NVXWUHKLSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423543271 1072535061 /nfs/dbraw/zinc/53/50/61/1072535061.db2.gz UUQXIKNKZGNEKA-RDJZCZTQSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423543271 1072535053 /nfs/dbraw/zinc/53/50/53/1072535053.db2.gz UUQXIKNKZGNEKA-RDJZCZTQSA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423543273 1072535126 /nfs/dbraw/zinc/53/51/26/1072535126.db2.gz UUQXIKNKZGNEKA-WBVHZDCISA-N 2 2 394.516 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423543273 1072535121 /nfs/dbraw/zinc/53/51/21/1072535121.db2.gz UUQXIKNKZGNEKA-WBVHZDCISA-N 2 2 394.516 -0.070 20 0 GBADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000423543754 1072534632 /nfs/dbraw/zinc/53/46/32/1072534632.db2.gz VUDVHLNHVISERZ-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000423543754 1072534623 /nfs/dbraw/zinc/53/46/23/1072534623.db2.gz VUDVHLNHVISERZ-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000423543755 1072534773 /nfs/dbraw/zinc/53/47/73/1072534773.db2.gz VUDVHLNHVISERZ-OAHLLOKOSA-N 2 2 382.505 -0.070 20 0 GBADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000423543755 1072534759 /nfs/dbraw/zinc/53/47/59/1072534759.db2.gz VUDVHLNHVISERZ-OAHLLOKOSA-N 2 2 382.505 -0.070 20 0 GBADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000423591030 1072536686 /nfs/dbraw/zinc/53/66/86/1072536686.db2.gz BTFUGNOCOGMYQT-CYBMUJFWSA-N 2 2 386.460 -0.778 20 0 GBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000423591031 1072536844 /nfs/dbraw/zinc/53/68/44/1072536844.db2.gz BTFUGNOCOGMYQT-ZDUSSCGKSA-N 2 2 386.460 -0.778 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423603614 1072542975 /nfs/dbraw/zinc/54/29/75/1072542975.db2.gz FEWRKLLCZUOKOR-DLBZAZTESA-N 2 2 396.532 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423603616 1072543047 /nfs/dbraw/zinc/54/30/47/1072543047.db2.gz FEWRKLLCZUOKOR-IAGOWNOFSA-N 2 2 396.532 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423603618 1072542762 /nfs/dbraw/zinc/54/27/62/1072542762.db2.gz FEWRKLLCZUOKOR-IRXDYDNUSA-N 2 2 396.532 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423603620 1072543488 /nfs/dbraw/zinc/54/34/88/1072543488.db2.gz FEWRKLLCZUOKOR-SJORKVTESA-N 2 2 396.532 -0.360 20 0 GBADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000423604917 1072544423 /nfs/dbraw/zinc/54/44/23/1072544423.db2.gz GMJHPCUCHRMHOE-UHFFFAOYSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423606186 1072543712 /nfs/dbraw/zinc/54/37/12/1072543712.db2.gz HTRIODCFVKRENJ-IBGZPJMESA-N 2 2 382.505 -0.606 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423606187 1072543821 /nfs/dbraw/zinc/54/38/21/1072543821.db2.gz HTRIODCFVKRENJ-LJQANCHMSA-N 2 2 382.505 -0.606 20 0 GBADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000423608183 1072544354 /nfs/dbraw/zinc/54/43/54/1072544354.db2.gz KHXAZAIYBPIJTL-UHFFFAOYSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423608193 1072543461 /nfs/dbraw/zinc/54/34/61/1072543461.db2.gz KJOMBUMDWUCTQG-BHYGNILZSA-N 2 2 382.505 -0.622 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423608197 1072544256 /nfs/dbraw/zinc/54/42/56/1072544256.db2.gz KJOMBUMDWUCTQG-UAGQMJEPSA-N 2 2 382.505 -0.622 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423608199 1072545148 /nfs/dbraw/zinc/54/51/48/1072545148.db2.gz KJOMBUMDWUCTQG-USXIJHARSA-N 2 2 382.505 -0.622 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423608201 1072545224 /nfs/dbraw/zinc/54/52/24/1072545224.db2.gz KJOMBUMDWUCTQG-XIRDDKMYSA-N 2 2 382.505 -0.622 20 0 GBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423608588 1072543662 /nfs/dbraw/zinc/54/36/62/1072543662.db2.gz OAXJCQDDUCLPOI-CYBMUJFWSA-N 2 2 380.411 -0.080 20 0 GBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423608589 1072543803 /nfs/dbraw/zinc/54/38/03/1072543803.db2.gz OAXJCQDDUCLPOI-ZDUSSCGKSA-N 2 2 380.411 -0.080 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000423609515 1072545607 /nfs/dbraw/zinc/54/56/07/1072545607.db2.gz LWXYCTZYOLATDZ-GOSISDBHSA-N 2 2 396.532 -0.217 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000423609517 1072545659 /nfs/dbraw/zinc/54/56/59/1072545659.db2.gz LWXYCTZYOLATDZ-SFHVURJKSA-N 2 2 396.532 -0.217 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000423611289 1072545207 /nfs/dbraw/zinc/54/52/07/1072545207.db2.gz OFCSSRLBFONCIL-UHFFFAOYSA-N 2 2 396.532 -0.216 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423615682 1072546115 /nfs/dbraw/zinc/54/61/15/1072546115.db2.gz UONCSIRBRWFQPX-UHFFFAOYSA-N 2 2 396.532 -0.217 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423619888 1072547730 /nfs/dbraw/zinc/54/77/30/1072547730.db2.gz ZBIHVZWLJQSZOL-KRWDZBQOSA-N 2 2 396.532 -0.360 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423619892 1072547208 /nfs/dbraw/zinc/54/72/08/1072547208.db2.gz ZBIHVZWLJQSZOL-QGZVFWFLSA-N 2 2 396.532 -0.360 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H](C)C[NH2+]1 ZINC000423634681 1072549627 /nfs/dbraw/zinc/54/96/27/1072549627.db2.gz QXMNXGKTTLKMQN-CHWSQXEVSA-N 2 2 386.460 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C[NH2+]1 ZINC000423634684 1072549427 /nfs/dbraw/zinc/54/94/27/1072549427.db2.gz QXMNXGKTTLKMQN-OLZOCXBDSA-N 2 2 386.460 -0.779 20 0 GBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000423634687 1072549284 /nfs/dbraw/zinc/54/92/84/1072549284.db2.gz QXMNXGKTTLKMQN-QWHCGFSZSA-N 2 2 386.460 -0.779 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C[NH2+]1 ZINC000423634691 1072549553 /nfs/dbraw/zinc/54/95/53/1072549553.db2.gz QXMNXGKTTLKMQN-STQMWFEESA-N 2 2 386.460 -0.779 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC[N@H+]1CC(C)(C)O ZINC000423647742 1072551753 /nfs/dbraw/zinc/55/17/53/1072551753.db2.gz QXAAZVPILATBRW-DOTOQJQBSA-N 2 2 389.500 -0.142 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC[N@@H+]1CC(C)(C)O ZINC000423647742 1072551743 /nfs/dbraw/zinc/55/17/43/1072551743.db2.gz QXAAZVPILATBRW-DOTOQJQBSA-N 2 2 389.500 -0.142 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC[N@H+]1CC(C)(C)O ZINC000423647746 1072551636 /nfs/dbraw/zinc/55/16/36/1072551636.db2.gz QXAAZVPILATBRW-NVXWUHKLSA-N 2 2 389.500 -0.142 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC[N@@H+]1CC(C)(C)O ZINC000423647746 1072551621 /nfs/dbraw/zinc/55/16/21/1072551621.db2.gz QXAAZVPILATBRW-NVXWUHKLSA-N 2 2 389.500 -0.142 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC[N@H+]1CC(C)(C)O ZINC000423647752 1072551931 /nfs/dbraw/zinc/55/19/31/1072551931.db2.gz QXAAZVPILATBRW-RDJZCZTQSA-N 2 2 389.500 -0.142 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC[N@@H+]1CC(C)(C)O ZINC000423647752 1072551928 /nfs/dbraw/zinc/55/19/28/1072551928.db2.gz QXAAZVPILATBRW-RDJZCZTQSA-N 2 2 389.500 -0.142 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC[N@H+]1CC(C)(C)O ZINC000423647754 1072551182 /nfs/dbraw/zinc/55/11/82/1072551182.db2.gz QXAAZVPILATBRW-WBVHZDCISA-N 2 2 389.500 -0.142 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC[N@@H+]1CC(C)(C)O ZINC000423647754 1072551175 /nfs/dbraw/zinc/55/11/75/1072551175.db2.gz QXAAZVPILATBRW-WBVHZDCISA-N 2 2 389.500 -0.142 20 0 GBADLP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423651913 1072554186 /nfs/dbraw/zinc/55/41/86/1072554186.db2.gz WMHMQFXWWJHPDE-AEFFLSMTSA-N 2 2 387.484 -0.265 20 0 GBADLP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423651914 1072553723 /nfs/dbraw/zinc/55/37/23/1072553723.db2.gz WMHMQFXWWJHPDE-FUHWJXTLSA-N 2 2 387.484 -0.265 20 0 GBADLP O=C(C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423651915 1072554030 /nfs/dbraw/zinc/55/40/30/1072554030.db2.gz WMHMQFXWWJHPDE-SJLPKXTDSA-N 2 2 387.484 -0.265 20 0 GBADLP O=C(C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423651916 1072554241 /nfs/dbraw/zinc/55/42/41/1072554241.db2.gz WMHMQFXWWJHPDE-WMZOPIPTSA-N 2 2 387.484 -0.265 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423662772 1072556429 /nfs/dbraw/zinc/55/64/29/1072556429.db2.gz FSSPWAMYDRYPHK-GOSISDBHSA-N 2 2 392.500 -0.485 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423662776 1072556833 /nfs/dbraw/zinc/55/68/33/1072556833.db2.gz FSSPWAMYDRYPHK-SFHVURJKSA-N 2 2 392.500 -0.485 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423667840 1072558356 /nfs/dbraw/zinc/55/83/56/1072558356.db2.gz OOEDXDDDZYODOX-KRWDZBQOSA-N 2 2 378.473 -0.875 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423667843 1072558460 /nfs/dbraw/zinc/55/84/60/1072558460.db2.gz OOEDXDDDZYODOX-QGZVFWFLSA-N 2 2 378.473 -0.875 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423687214 1072564519 /nfs/dbraw/zinc/56/45/19/1072564519.db2.gz WKAXMAZJRVBEII-INIZCTEOSA-N 2 2 397.520 -0.987 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423687215 1072564961 /nfs/dbraw/zinc/56/49/61/1072564961.db2.gz WKAXMAZJRVBEII-MRXNPFEDSA-N 2 2 397.520 -0.987 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423706408 1072565638 /nfs/dbraw/zinc/56/56/38/1072565638.db2.gz BMMPXVWQAMIANG-JLJPHGGASA-N 2 2 378.448 -0.396 20 0 GBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423706409 1072565738 /nfs/dbraw/zinc/56/57/38/1072565738.db2.gz BMMPXVWQAMIANG-UKPHBRMFSA-N 2 2 378.448 -0.396 20 0 GBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000423734452 1072574119 /nfs/dbraw/zinc/57/41/19/1072574119.db2.gz QXZHRKAFQKPIPV-OLMNPRSZSA-N 2 2 392.475 -0.006 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000423734456 1072574280 /nfs/dbraw/zinc/57/42/80/1072574280.db2.gz QXZHRKAFQKPIPV-QGTPRVQTSA-N 2 2 392.475 -0.006 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423741507 1072572140 /nfs/dbraw/zinc/57/21/40/1072572140.db2.gz YAFFOYHJOZFQDF-RRQGHBQHSA-N 2 2 378.448 -0.396 20 0 GBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423741509 1072572041 /nfs/dbraw/zinc/57/20/41/1072572041.db2.gz YAFFOYHJOZFQDF-XOKHGSTOSA-N 2 2 378.448 -0.396 20 0 GBADLP COC[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]C1 ZINC000423767792 1072575281 /nfs/dbraw/zinc/57/52/81/1072575281.db2.gz CPRCWEBATGERKH-IBGZPJMESA-N 2 2 390.488 -0.412 20 0 GBADLP COC[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[NH2+]C1 ZINC000423767792 1072575272 /nfs/dbraw/zinc/57/52/72/1072575272.db2.gz CPRCWEBATGERKH-IBGZPJMESA-N 2 2 390.488 -0.412 20 0 GBADLP COC[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]C1 ZINC000423767795 1072574921 /nfs/dbraw/zinc/57/49/21/1072574921.db2.gz CPRCWEBATGERKH-LJQANCHMSA-N 2 2 390.488 -0.412 20 0 GBADLP COC[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[NH2+]C1 ZINC000423767795 1072574912 /nfs/dbraw/zinc/57/49/12/1072574912.db2.gz CPRCWEBATGERKH-LJQANCHMSA-N 2 2 390.488 -0.412 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424338655 1072589505 /nfs/dbraw/zinc/58/95/05/1072589505.db2.gz UTIACOGSDBOVOO-HUUCEWRRSA-N 2 2 399.517 -0.016 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]2[NH3+])cn1 ZINC000424450976 1072596739 /nfs/dbraw/zinc/59/67/39/1072596739.db2.gz CFOWQMBYDPCDMO-DLBZAZTESA-N 2 2 399.503 -0.532 20 0 GBADLP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1n1cc[nH+]c1 ZINC000424494553 1072599789 /nfs/dbraw/zinc/59/97/89/1072599789.db2.gz NSKXFQZYWKXDLF-LLLHUVSDSA-N 2 2 385.472 -0.021 20 0 GBADLP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1n1cc[nH+]c1 ZINC000424494556 1072599771 /nfs/dbraw/zinc/59/97/71/1072599771.db2.gz NSKXFQZYWKXDLF-QMCVQRASSA-N 2 2 385.472 -0.021 20 0 GBADLP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1n1cc[nH+]c1 ZINC000424494557 1072599819 /nfs/dbraw/zinc/59/98/19/1072599819.db2.gz NSKXFQZYWKXDLF-XBVQOTNRSA-N 2 2 385.472 -0.021 20 0 GBADLP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1n1cc[nH+]c1 ZINC000424494559 1072599582 /nfs/dbraw/zinc/59/95/82/1072599582.db2.gz NSKXFQZYWKXDLF-XLNGHYISSA-N 2 2 385.472 -0.021 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C[C@H]2[NH3+])cn1 ZINC000424497800 1072600398 /nfs/dbraw/zinc/60/03/98/1072600398.db2.gz XZOPGXYKFSCNIU-IXDOHACOSA-N 2 2 384.440 -0.252 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)C[C@H]2[NH3+])cn1 ZINC000424497801 1072600384 /nfs/dbraw/zinc/60/03/84/1072600384.db2.gz XZOPGXYKFSCNIU-YESZJQIVSA-N 2 2 384.440 -0.252 20 0 GBADLP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424498405 1072600679 /nfs/dbraw/zinc/60/06/79/1072600679.db2.gz ZLWWAFDJXFBQSN-CVEARBPZSA-N 2 2 382.505 -0.872 20 0 GBADLP C[C@H]1CC2(CN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424498406 1072600615 /nfs/dbraw/zinc/60/06/15/1072600615.db2.gz ZLWWAFDJXFBQSN-HOTGVXAUSA-N 2 2 382.505 -0.872 20 0 GBADLP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424498407 1072600497 /nfs/dbraw/zinc/60/04/97/1072600497.db2.gz ZLWWAFDJXFBQSN-HZPDHXFCSA-N 2 2 382.505 -0.872 20 0 GBADLP C[C@H]1CC2(CN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424498408 1072600586 /nfs/dbraw/zinc/60/05/86/1072600586.db2.gz ZLWWAFDJXFBQSN-JKSUJKDBSA-N 2 2 382.505 -0.872 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@H]2[NH3+])cn1 ZINC000424534755 1072602358 /nfs/dbraw/zinc/60/23/58/1072602358.db2.gz ZOAMTYIBSAXMQQ-HRCADAONSA-N 2 2 383.456 -0.537 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@H]2[NH3+])cn1 ZINC000424534758 1072602005 /nfs/dbraw/zinc/60/20/05/1072602005.db2.gz ZOAMTYIBSAXMQQ-OWCLPIDISA-N 2 2 383.456 -0.537 20 0 GBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000424537291 1072603210 /nfs/dbraw/zinc/60/32/10/1072603210.db2.gz CAPUVUCKZQBFOJ-HDEZJCGLSA-N 2 2 392.504 -0.759 20 0 GBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000424537291 1072603207 /nfs/dbraw/zinc/60/32/07/1072603207.db2.gz CAPUVUCKZQBFOJ-HDEZJCGLSA-N 2 2 392.504 -0.759 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2[NH3+])cn1 ZINC000424537456 1072602827 /nfs/dbraw/zinc/60/28/27/1072602827.db2.gz CLBSUODPUQZFNW-JKSUJKDBSA-N 2 2 383.456 -0.583 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000424544161 1072605083 /nfs/dbraw/zinc/60/50/83/1072605083.db2.gz HAYKKWDAYRICPR-BBWFWOEESA-N 2 2 392.504 -0.854 20 0 GBADLP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000424544163 1072605127 /nfs/dbraw/zinc/60/51/27/1072605127.db2.gz HAYKKWDAYRICPR-GVDBMIGSSA-N 2 2 392.504 -0.854 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]2[NH3+])cn1 ZINC000424544835 1072604925 /nfs/dbraw/zinc/60/49/25/1072604925.db2.gz HLJXNLOFTDAHPY-DLBZAZTESA-N 2 2 397.483 -0.015 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424547917 1072605986 /nfs/dbraw/zinc/60/59/86/1072605986.db2.gz PITWUQUXMIIBML-DLBZAZTESA-N 2 2 392.504 -0.758 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)C[C@H]2[NH3+])cn1 ZINC000424548876 1072605717 /nfs/dbraw/zinc/60/57/17/1072605717.db2.gz QJLLVZRICOHMPY-BHYGNILZSA-N 2 2 399.499 -0.112 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)C[C@H]2[NH3+])cn1 ZINC000424548879 1072606052 /nfs/dbraw/zinc/60/60/52/1072606052.db2.gz QJLLVZRICOHMPY-HYVNUMGLSA-N 2 2 399.499 -0.112 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000425381300 1072695847 /nfs/dbraw/zinc/69/58/47/1072695847.db2.gz FVFXVFZWFMMZQV-UHFFFAOYSA-N 2 2 396.532 -0.121 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425382181 1072696979 /nfs/dbraw/zinc/69/69/79/1072696979.db2.gz GXGPUUDAFZKKHJ-KRWDZBQOSA-N 2 2 391.520 -0.074 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425382181 1072696974 /nfs/dbraw/zinc/69/69/74/1072696974.db2.gz GXGPUUDAFZKKHJ-KRWDZBQOSA-N 2 2 391.520 -0.074 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000425382182 1072696916 /nfs/dbraw/zinc/69/69/16/1072696916.db2.gz GXGPUUDAFZKKHJ-QGZVFWFLSA-N 2 2 391.520 -0.074 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000425382182 1072696910 /nfs/dbraw/zinc/69/69/10/1072696910.db2.gz GXGPUUDAFZKKHJ-QGZVFWFLSA-N 2 2 391.520 -0.074 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425385241 1072697912 /nfs/dbraw/zinc/69/79/12/1072697912.db2.gz KJELKAOYIPQCAH-JKSUJKDBSA-N 2 2 379.505 -0.839 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425385241 1072697909 /nfs/dbraw/zinc/69/79/09/1072697909.db2.gz KJELKAOYIPQCAH-JKSUJKDBSA-N 2 2 379.505 -0.839 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000425400848 1072708081 /nfs/dbraw/zinc/70/80/81/1072708081.db2.gz KVNRBGBVSUFXNB-INIZCTEOSA-N 2 2 398.548 -0.141 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000425400848 1072708075 /nfs/dbraw/zinc/70/80/75/1072708075.db2.gz KVNRBGBVSUFXNB-INIZCTEOSA-N 2 2 398.548 -0.141 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000425400850 1073170347 /nfs/dbraw/zinc/17/03/47/1073170347.db2.gz KVNRBGBVSUFXNB-MRXNPFEDSA-N 2 2 398.548 -0.141 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000425400850 1073170345 /nfs/dbraw/zinc/17/03/45/1073170345.db2.gz KVNRBGBVSUFXNB-MRXNPFEDSA-N 2 2 398.548 -0.141 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H](C)C1 ZINC000425401438 1072709084 /nfs/dbraw/zinc/70/90/84/1072709084.db2.gz LNXUSFNLNDDMPT-HRCADAONSA-N 2 2 380.489 -0.365 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@@H](C)C1 ZINC000425401438 1072709074 /nfs/dbraw/zinc/70/90/74/1072709074.db2.gz LNXUSFNLNDDMPT-HRCADAONSA-N 2 2 380.489 -0.365 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@@H](C)C1 ZINC000425401438 1072709065 /nfs/dbraw/zinc/70/90/65/1072709065.db2.gz LNXUSFNLNDDMPT-HRCADAONSA-N 2 2 380.489 -0.365 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@@H](C)C1 ZINC000425401438 1072709058 /nfs/dbraw/zinc/70/90/58/1072709058.db2.gz LNXUSFNLNDDMPT-HRCADAONSA-N 2 2 380.489 -0.365 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@H](C)C1 ZINC000425401440 1072709019 /nfs/dbraw/zinc/70/90/19/1072709019.db2.gz LNXUSFNLNDDMPT-OWCLPIDISA-N 2 2 380.489 -0.365 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@H](C)C1 ZINC000425401440 1072709013 /nfs/dbraw/zinc/70/90/13/1072709013.db2.gz LNXUSFNLNDDMPT-OWCLPIDISA-N 2 2 380.489 -0.365 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@H](C)C1 ZINC000425401440 1072709003 /nfs/dbraw/zinc/70/90/03/1072709003.db2.gz LNXUSFNLNDDMPT-OWCLPIDISA-N 2 2 380.489 -0.365 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@H](C)C1 ZINC000425401440 1072708993 /nfs/dbraw/zinc/70/89/93/1072708993.db2.gz LNXUSFNLNDDMPT-OWCLPIDISA-N 2 2 380.489 -0.365 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000425401546 1072708757 /nfs/dbraw/zinc/70/87/57/1072708757.db2.gz MAYYTBBPUAZRMC-INIZCTEOSA-N 2 2 398.548 -0.141 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000425401546 1072708752 /nfs/dbraw/zinc/70/87/52/1072708752.db2.gz MAYYTBBPUAZRMC-INIZCTEOSA-N 2 2 398.548 -0.141 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000425401547 1072708792 /nfs/dbraw/zinc/70/87/92/1072708792.db2.gz MAYYTBBPUAZRMC-MRXNPFEDSA-N 2 2 398.548 -0.141 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000425401547 1072708786 /nfs/dbraw/zinc/70/87/86/1072708786.db2.gz MAYYTBBPUAZRMC-MRXNPFEDSA-N 2 2 398.548 -0.141 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425402431 1072712492 /nfs/dbraw/zinc/71/24/92/1072712492.db2.gz NEJZIJXMODSJHN-DOTOQJQBSA-N 2 2 382.505 -0.655 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425402431 1072712481 /nfs/dbraw/zinc/71/24/81/1072712481.db2.gz NEJZIJXMODSJHN-DOTOQJQBSA-N 2 2 382.505 -0.655 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000425405083 1072715196 /nfs/dbraw/zinc/71/51/96/1072715196.db2.gz QHZMHNUOOWXCGC-KRWDZBQOSA-N 2 2 396.532 -0.264 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000425405087 1072715351 /nfs/dbraw/zinc/71/53/51/1072715351.db2.gz QHZMHNUOOWXCGC-QGZVFWFLSA-N 2 2 396.532 -0.264 20 0 GBADLP CCOC(=O)Cn1cnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000425697179 1072773576 /nfs/dbraw/zinc/77/35/76/1072773576.db2.gz CGWUNOKTNQYMST-UHFFFAOYSA-N 2 2 393.492 0.521 20 0 GBADLP CCOC(=O)Cn1cnc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000425706514 1072776093 /nfs/dbraw/zinc/77/60/93/1072776093.db2.gz XXWMKQCFMMRHFA-UHFFFAOYSA-N 2 2 381.481 0.331 20 0 GBADLP CCOC(=O)Cn1cnc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000425706514 1072776083 /nfs/dbraw/zinc/77/60/83/1072776083.db2.gz XXWMKQCFMMRHFA-UHFFFAOYSA-N 2 2 381.481 0.331 20 0 GBADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000425821279 1072823702 /nfs/dbraw/zinc/82/37/02/1072823702.db2.gz QNCKVDVSMFNWNQ-DOTOQJQBSA-N 2 2 390.488 -0.294 20 0 GBADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000425821279 1072823693 /nfs/dbraw/zinc/82/36/93/1072823693.db2.gz QNCKVDVSMFNWNQ-DOTOQJQBSA-N 2 2 390.488 -0.294 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000425868882 1072837593 /nfs/dbraw/zinc/83/75/93/1072837593.db2.gz JAUNJNMIBIQYII-UHFFFAOYSA-N 2 2 384.521 -0.216 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000425873856 1072838427 /nfs/dbraw/zinc/83/84/27/1072838427.db2.gz QNTRQQYMYNWJTG-KRWDZBQOSA-N 2 2 397.564 -0.445 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000425873857 1072838156 /nfs/dbraw/zinc/83/81/56/1072838156.db2.gz QNTRQQYMYNWJTG-QGZVFWFLSA-N 2 2 397.564 -0.445 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000425874311 1072838305 /nfs/dbraw/zinc/83/83/05/1072838305.db2.gz RIYPCOZDNLRGTE-UHFFFAOYSA-N 2 2 397.564 -0.302 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000425890552 1072844104 /nfs/dbraw/zinc/84/41/04/1072844104.db2.gz WWIRQKFSDHRSEC-INIZCTEOSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000425890553 1072844274 /nfs/dbraw/zinc/84/42/74/1072844274.db2.gz WWIRQKFSDHRSEC-MRXNPFEDSA-N 2 2 384.521 -0.360 20 0 GBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425892052 1072845967 /nfs/dbraw/zinc/84/59/67/1072845967.db2.gz ZNZVOHFDYMCIEA-INIZCTEOSA-N 2 2 384.521 -0.217 20 0 GBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425892052 1072845949 /nfs/dbraw/zinc/84/59/49/1072845949.db2.gz ZNZVOHFDYMCIEA-INIZCTEOSA-N 2 2 384.521 -0.217 20 0 GBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425892057 1073034888 /nfs/dbraw/zinc/03/48/88/1073034888.db2.gz ZNZVOHFDYMCIEA-MRXNPFEDSA-N 2 2 384.521 -0.217 20 0 GBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425892057 1073034887 /nfs/dbraw/zinc/03/48/87/1073034887.db2.gz ZNZVOHFDYMCIEA-MRXNPFEDSA-N 2 2 384.521 -0.217 20 0 GBADLP COc1ccnc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000425897150 1073081480 /nfs/dbraw/zinc/08/14/80/1073081480.db2.gz INZOTOCVKHBCLM-UHFFFAOYSA-N 2 2 378.477 -0.414 20 0 GBADLP COc1ccnc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000425897150 1073081473 /nfs/dbraw/zinc/08/14/73/1073081473.db2.gz INZOTOCVKHBCLM-UHFFFAOYSA-N 2 2 378.477 -0.414 20 0 GBADLP COCC[NH+]1CCN(c2nc(OC)nc(N3CC[NH+](CCOC)CC3)n2)CC1 ZINC000426610864 1072994223 /nfs/dbraw/zinc/99/42/23/1072994223.db2.gz GVEBHPXFCXXHPF-UHFFFAOYSA-N 2 2 395.508 -0.583 20 0 GBADLP COc1nc(NCC[NH+]2CCSCC2)nc(NCC[NH+]2CCSCC2)n1 ZINC000426879231 1073044290 /nfs/dbraw/zinc/04/42/90/1073044290.db2.gz PVYSZBRFTYEISJ-UHFFFAOYSA-N 2 2 399.590 -0.355 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1CCO ZINC000427293296 1073064624 /nfs/dbraw/zinc/06/46/24/1073064624.db2.gz ZWKWBFUOIIXKMP-AWEZNQCLSA-N 2 2 378.477 -0.387 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1CCO ZINC000427293296 1073064614 /nfs/dbraw/zinc/06/46/14/1073064614.db2.gz ZWKWBFUOIIXKMP-AWEZNQCLSA-N 2 2 378.477 -0.387 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1CCO ZINC000427293297 1073064981 /nfs/dbraw/zinc/06/49/81/1073064981.db2.gz ZWKWBFUOIIXKMP-CQSZACIVSA-N 2 2 378.477 -0.387 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1CCO ZINC000427293297 1073064972 /nfs/dbraw/zinc/06/49/72/1073064972.db2.gz ZWKWBFUOIIXKMP-CQSZACIVSA-N 2 2 378.477 -0.387 20 0 GBADLP O=C(C[C@@H]1CC[NH2+]C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427301381 1073064953 /nfs/dbraw/zinc/06/49/53/1073064953.db2.gz JGDVJPAARZBHRL-HNNXBMFYSA-N 2 2 381.502 -0.351 20 0 GBADLP O=C(C[C@H]1CC[NH2+]C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427301384 1073065084 /nfs/dbraw/zinc/06/50/84/1073065084.db2.gz JGDVJPAARZBHRL-OAHLLOKOSA-N 2 2 381.502 -0.351 20 0 GBADLP CN(C(=O)CC(=O)NCC1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000427456442 1073073910 /nfs/dbraw/zinc/07/39/10/1073073910.db2.gz PJDNFFMGPYGHOZ-UHFFFAOYSA-N 2 2 393.532 -0.401 20 0 GBADLP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@H]2C1 ZINC000427868204 1073215239 /nfs/dbraw/zinc/21/52/39/1073215239.db2.gz UBZLPVQYGDUXMT-GASCZTMLSA-N 2 2 376.461 -0.826 20 0 GBADLP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@H]2C1 ZINC000427868204 1073215228 /nfs/dbraw/zinc/21/52/28/1073215228.db2.gz UBZLPVQYGDUXMT-GASCZTMLSA-N 2 2 376.461 -0.826 20 0 GBADLP OCC[NH+]1CCN(c2cc(C3CC3)nc(N3CC[NH+](CCO)CC3)n2)CC1 ZINC000427984702 1073218555 /nfs/dbraw/zinc/21/85/55/1073218555.db2.gz NWAWDRSJPWJBSL-UHFFFAOYSA-N 2 2 376.505 -0.417 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428052638 1073222127 /nfs/dbraw/zinc/22/21/27/1073222127.db2.gz IGXGSBKQAFZCGX-GDBMZVCRSA-N 2 2 384.488 -0.304 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428052639 1073222165 /nfs/dbraw/zinc/22/21/65/1073222165.db2.gz IGXGSBKQAFZCGX-GOEBONIOSA-N 2 2 384.488 -0.304 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428052641 1073222070 /nfs/dbraw/zinc/22/20/70/1073222070.db2.gz IGXGSBKQAFZCGX-HOCLYGCPSA-N 2 2 384.488 -0.304 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428052642 1073221938 /nfs/dbraw/zinc/22/19/38/1073221938.db2.gz IGXGSBKQAFZCGX-ZBFHGGJFSA-N 2 2 384.488 -0.304 20 0 GBADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000428131669 1073224259 /nfs/dbraw/zinc/22/42/59/1073224259.db2.gz QSGYRZASHBJUET-GOSISDBHSA-N 2 2 389.500 -0.142 20 0 GBADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000428131680 1073224232 /nfs/dbraw/zinc/22/42/32/1073224232.db2.gz QSGYRZASHBJUET-SFHVURJKSA-N 2 2 389.500 -0.142 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428492813 1073653020 /nfs/dbraw/zinc/65/30/20/1073653020.db2.gz GPJOPDXQTXZXOG-ROUUACIJSA-N 2 2 398.548 -0.403 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C2(C(=O)N3CC[NH+](C[C@H](C)O)CC3)CCC2)CC1 ZINC000428504615 1073784451 /nfs/dbraw/zinc/78/44/51/1073784451.db2.gz VFCXMIQCIYHQQE-IRXDYDNUSA-N 2 2 396.532 -0.793 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428508725 1073840055 /nfs/dbraw/zinc/84/00/55/1073840055.db2.gz GXSACYKVFRVJKF-IRXDYDNUSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)C2(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)CCC2)CC[NH+]1CCO ZINC000428516310 1073844878 /nfs/dbraw/zinc/84/48/78/1073844878.db2.gz MLMCFEREADYVJX-IAGOWNOFSA-N 2 2 396.532 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)C2(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)CCC2)CC[NH+]1CCO ZINC000428516310 1073844874 /nfs/dbraw/zinc/84/48/74/1073844874.db2.gz MLMCFEREADYVJX-IAGOWNOFSA-N 2 2 396.532 -0.793 20 0 GBADLP C[C@H]1CN(C(=O)C2(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CCC2)CC[NH+]1CCO ZINC000428516311 1073844386 /nfs/dbraw/zinc/84/43/86/1073844386.db2.gz MLMCFEREADYVJX-IRXDYDNUSA-N 2 2 396.532 -0.793 20 0 GBADLP C[C@H]1CN(C(=O)C2(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CCC2)CC[NH+]1CCO ZINC000428516311 1073844370 /nfs/dbraw/zinc/84/43/70/1073844370.db2.gz MLMCFEREADYVJX-IRXDYDNUSA-N 2 2 396.532 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)CCCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000428533437 1073864790 /nfs/dbraw/zinc/86/47/90/1073864790.db2.gz HAGKOWCFPMHOEL-CALCHBBNSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)CCCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000428533437 1073864781 /nfs/dbraw/zinc/86/47/81/1073864781.db2.gz HAGKOWCFPMHOEL-CALCHBBNSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)CCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428533437 1073864774 /nfs/dbraw/zinc/86/47/74/1073864774.db2.gz HAGKOWCFPMHOEL-CALCHBBNSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)CCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428533437 1073864763 /nfs/dbraw/zinc/86/47/63/1073864763.db2.gz HAGKOWCFPMHOEL-CALCHBBNSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)CCCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428533440 1073865426 /nfs/dbraw/zinc/86/54/26/1073865426.db2.gz HAGKOWCFPMHOEL-IAGOWNOFSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)CCCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428533440 1073865420 /nfs/dbraw/zinc/86/54/20/1073865420.db2.gz HAGKOWCFPMHOEL-IAGOWNOFSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@H]1CN(C(=O)CCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428533443 1073865365 /nfs/dbraw/zinc/86/53/65/1073865365.db2.gz HAGKOWCFPMHOEL-IRXDYDNUSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@H]1CN(C(=O)CCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428533443 1073865350 /nfs/dbraw/zinc/86/53/50/1073865350.db2.gz HAGKOWCFPMHOEL-IRXDYDNUSA-N 2 2 384.521 -0.793 20 0 GBADLP C[C@@H]1CN(C(=O)CCCCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000428538258 1073885603 /nfs/dbraw/zinc/88/56/03/1073885603.db2.gz XBAWBQVIBLVDCO-HDICACEKSA-N 2 2 398.548 -0.403 20 0 GBADLP C[C@@H]1CN(C(=O)CCCCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000428538258 1073885599 /nfs/dbraw/zinc/88/55/99/1073885599.db2.gz XBAWBQVIBLVDCO-HDICACEKSA-N 2 2 398.548 -0.403 20 0 GBADLP C[C@@H]1CN(C(=O)CCCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428538258 1073885593 /nfs/dbraw/zinc/88/55/93/1073885593.db2.gz XBAWBQVIBLVDCO-HDICACEKSA-N 2 2 398.548 -0.403 20 0 GBADLP C[C@@H]1CN(C(=O)CCCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428538258 1073885586 /nfs/dbraw/zinc/88/55/86/1073885586.db2.gz XBAWBQVIBLVDCO-HDICACEKSA-N 2 2 398.548 -0.403 20 0 GBADLP C[C@@H]1CN(C(=O)CCCCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428538259 1073885639 /nfs/dbraw/zinc/88/56/39/1073885639.db2.gz XBAWBQVIBLVDCO-QZTJIDSGSA-N 2 2 398.548 -0.403 20 0 GBADLP C[C@@H]1CN(C(=O)CCCCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428538259 1073885634 /nfs/dbraw/zinc/88/56/34/1073885634.db2.gz XBAWBQVIBLVDCO-QZTJIDSGSA-N 2 2 398.548 -0.403 20 0 GBADLP C[C@H]1CN(C(=O)CCCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428538260 1073884856 /nfs/dbraw/zinc/88/48/56/1073884856.db2.gz XBAWBQVIBLVDCO-ROUUACIJSA-N 2 2 398.548 -0.403 20 0 GBADLP C[C@H]1CN(C(=O)CCCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428538260 1073884839 /nfs/dbraw/zinc/88/48/39/1073884839.db2.gz XBAWBQVIBLVDCO-ROUUACIJSA-N 2 2 398.548 -0.403 20 0 GBADLP C[NH+](CCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428802678 530108941 /nfs/dbraw/zinc/10/89/41/530108941.db2.gz HMWWFDKUUAQUFR-GASCZTMLSA-N 2 2 396.579 -0.692 20 0 GBADLP C[NH+](CCC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428802678 530108939 /nfs/dbraw/zinc/10/89/39/530108939.db2.gz HMWWFDKUUAQUFR-GASCZTMLSA-N 2 2 396.579 -0.692 20 0 GBADLP C[NH+](CCC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428802678 530108937 /nfs/dbraw/zinc/10/89/37/530108937.db2.gz HMWWFDKUUAQUFR-GASCZTMLSA-N 2 2 396.579 -0.692 20 0 GBADLP C[NH+](CCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428802678 530108935 /nfs/dbraw/zinc/10/89/35/530108935.db2.gz HMWWFDKUUAQUFR-GASCZTMLSA-N 2 2 396.579 -0.692 20 0 GBADLP C[NH+](CCC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428802682 530108829 /nfs/dbraw/zinc/10/88/29/530108829.db2.gz HMWWFDKUUAQUFR-GJZGRUSLSA-N 2 2 396.579 -0.692 20 0 GBADLP C[NH+](CCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428802682 530108826 /nfs/dbraw/zinc/10/88/26/530108826.db2.gz HMWWFDKUUAQUFR-GJZGRUSLSA-N 2 2 396.579 -0.692 20 0 GBADLP C[NH+](CCC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428802684 530108872 /nfs/dbraw/zinc/10/88/72/530108872.db2.gz HMWWFDKUUAQUFR-HUUCEWRRSA-N 2 2 396.579 -0.692 20 0 GBADLP C[NH+](CCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428802684 530108871 /nfs/dbraw/zinc/10/88/71/530108871.db2.gz HMWWFDKUUAQUFR-HUUCEWRRSA-N 2 2 396.579 -0.692 20 0 GBADLP CC(C)NS(=O)(=O)NCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000428950006 530375816 /nfs/dbraw/zinc/37/58/16/530375816.db2.gz CPWOAPLAURTRAI-UHFFFAOYSA-N 2 2 378.543 -0.856 20 0 GBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)ccn2)CC1 ZINC000429807885 1073656680 /nfs/dbraw/zinc/65/66/80/1073656680.db2.gz ZRFUQLMRJZGLRV-UHFFFAOYSA-N 2 2 388.472 -0.428 20 0 GBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)ccn2)CC1 ZINC000429807885 1073656678 /nfs/dbraw/zinc/65/66/78/1073656678.db2.gz ZRFUQLMRJZGLRV-UHFFFAOYSA-N 2 2 388.472 -0.428 20 0 GBADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000429814058 1073711686 /nfs/dbraw/zinc/71/16/86/1073711686.db2.gz YFSDHLVGIXBQHW-UHFFFAOYSA-N 2 2 394.520 0.200 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000430546164 1072558618 /nfs/dbraw/zinc/55/86/18/1072558618.db2.gz JEWUYJSEEFJNRC-KRWDZBQOSA-N 2 2 399.517 -0.159 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)CC1 ZINC000430546166 1072558235 /nfs/dbraw/zinc/55/82/35/1072558235.db2.gz JEWUYJSEEFJNRC-QGZVFWFLSA-N 2 2 399.517 -0.159 20 0 GBADLP CC[NH2+]CC1CC[NH+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000430567698 530377662 /nfs/dbraw/zinc/37/76/62/530377662.db2.gz GCBKUOCNXZKYGC-INIZCTEOSA-N 2 2 375.535 -0.030 20 0 GBADLP CC[NH2+]CC1CC[NH+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430567702 530377713 /nfs/dbraw/zinc/37/77/13/530377713.db2.gz GCBKUOCNXZKYGC-MRXNPFEDSA-N 2 2 375.535 -0.030 20 0 GBADLP CC[NH2+]CC1CC[NH+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000430579926 1072574892 /nfs/dbraw/zinc/57/48/92/1072574892.db2.gz GVIJEZCQWNVBLL-KRWDZBQOSA-N 2 2 386.562 -0.361 20 0 GBADLP CC[NH2+]CC1CC[NH+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000430579930 1072574830 /nfs/dbraw/zinc/57/48/30/1072574830.db2.gz GVIJEZCQWNVBLL-QGZVFWFLSA-N 2 2 386.562 -0.361 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000430593743 1072579606 /nfs/dbraw/zinc/57/96/06/1072579606.db2.gz FLNBUUTZAAUGCZ-CABCVRRESA-N 2 2 384.488 -0.162 20 0 GBADLP CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430603042 1072586111 /nfs/dbraw/zinc/58/61/11/1072586111.db2.gz ISWFHFDZAZYJMU-UHFFFAOYSA-N 2 2 389.500 -0.179 20 0 GBADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000430612378 1072607861 /nfs/dbraw/zinc/60/78/61/1072607861.db2.gz RAGUBJXWEBACNE-ZNMIVQPWSA-N 2 2 388.534 -0.803 20 0 GBADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000430612378 1072607858 /nfs/dbraw/zinc/60/78/58/1072607858.db2.gz RAGUBJXWEBACNE-ZNMIVQPWSA-N 2 2 388.534 -0.803 20 0 GBADLP CN(CC(=O)N1CC[NH2+]CC1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000430620170 1072616860 /nfs/dbraw/zinc/61/68/60/1072616860.db2.gz BZOPOSPPUSPFGU-UHFFFAOYSA-N 2 2 379.530 -0.244 20 0 GBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430623734 1072619173 /nfs/dbraw/zinc/61/91/73/1072619173.db2.gz HVRKHESTXDFJSX-KRWDZBQOSA-N 3 2 388.516 -0.093 20 0 GBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430623734 1072619166 /nfs/dbraw/zinc/61/91/66/1072619166.db2.gz HVRKHESTXDFJSX-KRWDZBQOSA-N 3 2 388.516 -0.093 20 0 GBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430623738 1072619135 /nfs/dbraw/zinc/61/91/35/1072619135.db2.gz HVRKHESTXDFJSX-QGZVFWFLSA-N 3 2 388.516 -0.093 20 0 GBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430623738 1072619129 /nfs/dbraw/zinc/61/91/29/1072619129.db2.gz HVRKHESTXDFJSX-QGZVFWFLSA-N 3 2 388.516 -0.093 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCC[NH2+]1 ZINC000430697212 1072203858 /nfs/dbraw/zinc/20/38/58/1072203858.db2.gz DNLUQDYGFFXLOH-OAHLLOKOSA-N 2 2 381.502 -0.208 20 0 GBADLP C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000430712585 1072212233 /nfs/dbraw/zinc/21/22/33/1072212233.db2.gz DLNADBUBTGGEHG-KRWDZBQOSA-N 2 2 381.502 -0.351 20 0 GBADLP C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000430712587 1072211895 /nfs/dbraw/zinc/21/18/95/1072211895.db2.gz DLNADBUBTGGEHG-QGZVFWFLSA-N 2 2 381.502 -0.351 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000430712611 1072212324 /nfs/dbraw/zinc/21/23/24/1072212324.db2.gz DNLUQDYGFFXLOH-HNNXBMFYSA-N 2 2 381.502 -0.208 20 0 GBADLP O=C(C[NH2+]CC1CC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430712800 1072211988 /nfs/dbraw/zinc/21/19/88/1072211988.db2.gz DVMOAOJVNOHTAT-UHFFFAOYSA-N 2 2 381.502 -0.351 20 0 GBADLP O=C(C[C@H]1C[NH2+]CCO1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430714469 1072212058 /nfs/dbraw/zinc/21/20/58/1072212058.db2.gz LEEJAMRUAFECID-HNNXBMFYSA-N 2 2 397.501 -0.972 20 0 GBADLP O=C(C[C@@H]1C[NH2+]CCO1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430714473 1072212392 /nfs/dbraw/zinc/21/23/92/1072212392.db2.gz LEEJAMRUAFECID-OAHLLOKOSA-N 2 2 397.501 -0.972 20 0 GBADLP O=C(C[C@@H]1CCC[NH2+]1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430714925 1072211831 /nfs/dbraw/zinc/21/18/31/1072211831.db2.gz NGVLSLYRGDLICA-HNNXBMFYSA-N 2 2 381.502 -0.208 20 0 GBADLP O=C(C[C@H]1CCC[NH2+]1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430714926 1072212365 /nfs/dbraw/zinc/21/23/65/1072212365.db2.gz NGVLSLYRGDLICA-OAHLLOKOSA-N 2 2 381.502 -0.208 20 0 GBADLP [NH3+][C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430718819 1072212044 /nfs/dbraw/zinc/21/20/44/1072212044.db2.gz YHCFHMUWCBNDNY-CABCVRRESA-N 2 2 381.502 -0.223 20 0 GBADLP [NH3+][C@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430718821 1072213246 /nfs/dbraw/zinc/21/32/46/1072213246.db2.gz YHCFHMUWCBNDNY-GJZGRUSLSA-N 2 2 381.502 -0.223 20 0 GBADLP [NH3+][C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430718824 1072213307 /nfs/dbraw/zinc/21/33/07/1072213307.db2.gz YHCFHMUWCBNDNY-HUUCEWRRSA-N 2 2 381.502 -0.223 20 0 GBADLP [NH3+][C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430718825 1072213039 /nfs/dbraw/zinc/21/30/39/1072213039.db2.gz YHCFHMUWCBNDNY-LSDHHAIUSA-N 2 2 381.502 -0.223 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CSC[NH2+]1 ZINC000430719222 530377686 /nfs/dbraw/zinc/37/76/86/530377686.db2.gz ZHDUJYQFIQLSCN-CYBMUJFWSA-N 2 2 385.515 -0.688 20 0 GBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)CC1 ZINC000430730373 1072212881 /nfs/dbraw/zinc/21/28/81/1072212881.db2.gz AUPSDGTWVJZMSJ-UHFFFAOYSA-N 2 2 379.505 -0.789 20 0 GBADLP O=C(CN1CC[NH2+]CC1=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430744983 1072213097 /nfs/dbraw/zinc/21/30/97/1072213097.db2.gz XDRAJMQPCVNHDV-UHFFFAOYSA-N 2 2 387.484 -0.440 20 0 GBADLP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)CC1 ZINC000430871119 1072218916 /nfs/dbraw/zinc/21/89/16/1072218916.db2.gz CFFJJJXUCQXMNN-UHFFFAOYSA-N 2 2 387.484 -0.203 20 0 GBADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3=O)c2)C1 ZINC000430881740 1072219665 /nfs/dbraw/zinc/21/96/65/1072219665.db2.gz DXYAIKNAHLRDIZ-KRWDZBQOSA-N 2 2 387.484 -0.568 20 0 GBADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3=O)c2)C1 ZINC000430881740 1072219656 /nfs/dbraw/zinc/21/96/56/1072219656.db2.gz DXYAIKNAHLRDIZ-KRWDZBQOSA-N 2 2 387.484 -0.568 20 0 GBADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3=O)c2)C1 ZINC000430881741 1072219915 /nfs/dbraw/zinc/21/99/15/1072219915.db2.gz DXYAIKNAHLRDIZ-QGZVFWFLSA-N 2 2 387.484 -0.568 20 0 GBADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3=O)c2)C1 ZINC000430881741 1072219909 /nfs/dbraw/zinc/21/99/09/1072219909.db2.gz DXYAIKNAHLRDIZ-QGZVFWFLSA-N 2 2 387.484 -0.568 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430914827 1072221796 /nfs/dbraw/zinc/22/17/96/1072221796.db2.gz AMUYELZRURBEOG-DOMZBBRYSA-N 2 2 399.517 -0.207 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430914827 1072221791 /nfs/dbraw/zinc/22/17/91/1072221791.db2.gz AMUYELZRURBEOG-DOMZBBRYSA-N 2 2 399.517 -0.207 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430914828 1072221753 /nfs/dbraw/zinc/22/17/53/1072221753.db2.gz AMUYELZRURBEOG-IUODEOHRSA-N 2 2 399.517 -0.207 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430914828 1072221746 /nfs/dbraw/zinc/22/17/46/1072221746.db2.gz AMUYELZRURBEOG-IUODEOHRSA-N 2 2 399.517 -0.207 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430914829 1072221636 /nfs/dbraw/zinc/22/16/36/1072221636.db2.gz AMUYELZRURBEOG-SWLSCSKDSA-N 2 2 399.517 -0.207 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430914829 1072221628 /nfs/dbraw/zinc/22/16/28/1072221628.db2.gz AMUYELZRURBEOG-SWLSCSKDSA-N 2 2 399.517 -0.207 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430914830 1072221327 /nfs/dbraw/zinc/22/13/27/1072221327.db2.gz AMUYELZRURBEOG-WFASDCNBSA-N 2 2 399.517 -0.207 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430914830 1072221322 /nfs/dbraw/zinc/22/13/22/1072221322.db2.gz AMUYELZRURBEOG-WFASDCNBSA-N 2 2 399.517 -0.207 20 0 GBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000430950100 1072224266 /nfs/dbraw/zinc/22/42/66/1072224266.db2.gz QBNBYEPPAIOFOI-HNNXBMFYSA-N 2 2 399.517 -0.334 20 0 GBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000430950100 1072224255 /nfs/dbraw/zinc/22/42/55/1072224255.db2.gz QBNBYEPPAIOFOI-HNNXBMFYSA-N 2 2 399.517 -0.334 20 0 GBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000430950106 1072223981 /nfs/dbraw/zinc/22/39/81/1072223981.db2.gz QBNBYEPPAIOFOI-OAHLLOKOSA-N 2 2 399.517 -0.334 20 0 GBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000430950106 1072223972 /nfs/dbraw/zinc/22/39/72/1072223972.db2.gz QBNBYEPPAIOFOI-OAHLLOKOSA-N 2 2 399.517 -0.334 20 0 GBADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000430952757 1072225340 /nfs/dbraw/zinc/22/53/40/1072225340.db2.gz QWUCQYIJJOGAGM-HNNXBMFYSA-N 2 2 396.513 -0.396 20 0 GBADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000430952757 1072225333 /nfs/dbraw/zinc/22/53/33/1072225333.db2.gz QWUCQYIJJOGAGM-HNNXBMFYSA-N 2 2 396.513 -0.396 20 0 GBADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000430952762 1072225546 /nfs/dbraw/zinc/22/55/46/1072225546.db2.gz QWUCQYIJJOGAGM-OAHLLOKOSA-N 2 2 396.513 -0.396 20 0 GBADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000430952762 1072225540 /nfs/dbraw/zinc/22/55/40/1072225540.db2.gz QWUCQYIJJOGAGM-OAHLLOKOSA-N 2 2 396.513 -0.396 20 0 GBADLP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000430955095 1072224629 /nfs/dbraw/zinc/22/46/29/1072224629.db2.gz LJZKLXSOKZMMPC-UHFFFAOYSA-N 3 2 386.504 -0.057 20 0 GBADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)CN3CC[NH2+]CC3=O)C2)cc(OC)c1 ZINC000431005638 1072233260 /nfs/dbraw/zinc/23/32/60/1072233260.db2.gz WCBQDCZGDKAVIU-HNNXBMFYSA-N 2 2 376.457 -0.174 20 0 GBADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)CN3CC[NH2+]CC3=O)C2)cc(OC)c1 ZINC000431005638 1072233250 /nfs/dbraw/zinc/23/32/50/1072233250.db2.gz WCBQDCZGDKAVIU-HNNXBMFYSA-N 2 2 376.457 -0.174 20 0 GBADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3=O)C2)cc(OC)c1 ZINC000431005640 1072232740 /nfs/dbraw/zinc/23/27/40/1072232740.db2.gz WCBQDCZGDKAVIU-OAHLLOKOSA-N 2 2 376.457 -0.174 20 0 GBADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CN3CC[NH2+]CC3=O)C2)cc(OC)c1 ZINC000431005640 1072232734 /nfs/dbraw/zinc/23/27/34/1072232734.db2.gz WCBQDCZGDKAVIU-OAHLLOKOSA-N 2 2 376.457 -0.174 20 0 GBADLP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000431006645 1072232778 /nfs/dbraw/zinc/23/27/78/1072232778.db2.gz OAUNWWOIMOBZDH-UHFFFAOYSA-N 2 2 389.500 -0.293 20 0 GBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)CC1 ZINC000431018898 1072232832 /nfs/dbraw/zinc/23/28/32/1072232832.db2.gz YRHYPVPIXVPFLT-UHFFFAOYSA-N 2 2 387.484 -0.237 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000431186197 1072247289 /nfs/dbraw/zinc/24/72/89/1072247289.db2.gz FIGWCANZXWZTIR-INIZCTEOSA-N 2 2 393.532 -0.212 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000431186197 1072247280 /nfs/dbraw/zinc/24/72/80/1072247280.db2.gz FIGWCANZXWZTIR-INIZCTEOSA-N 2 2 393.532 -0.212 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000431186198 1072247093 /nfs/dbraw/zinc/24/70/93/1072247093.db2.gz FIGWCANZXWZTIR-MRXNPFEDSA-N 2 2 393.532 -0.212 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000431186198 1072247089 /nfs/dbraw/zinc/24/70/89/1072247089.db2.gz FIGWCANZXWZTIR-MRXNPFEDSA-N 2 2 393.532 -0.212 20 0 GBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431284749 1072289184 /nfs/dbraw/zinc/28/91/84/1072289184.db2.gz RFDZFRQCQPJZQO-KRWDZBQOSA-N 2 2 382.553 -0.086 20 0 GBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431284752 1072289088 /nfs/dbraw/zinc/28/90/88/1072289088.db2.gz RFDZFRQCQPJZQO-QGZVFWFLSA-N 2 2 382.553 -0.086 20 0 GBADLP O=C(CNS(=O)(=O)CCC[NH+]1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000431600761 1072601724 /nfs/dbraw/zinc/60/17/24/1072601724.db2.gz AESGUOSOFQXUOX-UHFFFAOYSA-N 2 2 390.550 -0.380 20 0 GBADLP COCCCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431788337 530378586 /nfs/dbraw/zinc/37/85/86/530378586.db2.gz KSVWKYPNWOQIEQ-UHFFFAOYSA-N 2 2 378.539 -0.573 20 0 GBADLP COCCCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000431788337 530378584 /nfs/dbraw/zinc/37/85/84/530378584.db2.gz KSVWKYPNWOQIEQ-UHFFFAOYSA-N 2 2 378.539 -0.573 20 0 GBADLP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000432831530 1073778356 /nfs/dbraw/zinc/77/83/56/1073778356.db2.gz KGWKOLFRTKOCJU-HUUCEWRRSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000432835938 1073781864 /nfs/dbraw/zinc/78/18/64/1073781864.db2.gz KGWKOLFRTKOCJU-GJZGRUSLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)n1 ZINC000432847082 1073787534 /nfs/dbraw/zinc/78/75/34/1073787534.db2.gz RKZZWRTUFDGTLV-GASCZTMLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)n1 ZINC000432847082 1073787522 /nfs/dbraw/zinc/78/75/22/1073787522.db2.gz RKZZWRTUFDGTLV-GASCZTMLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000432847082 1073787514 /nfs/dbraw/zinc/78/75/14/1073787514.db2.gz RKZZWRTUFDGTLV-GASCZTMLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000432847082 1073787509 /nfs/dbraw/zinc/78/75/09/1073787509.db2.gz RKZZWRTUFDGTLV-GASCZTMLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000432847083 1073787169 /nfs/dbraw/zinc/78/71/69/1073787169.db2.gz RKZZWRTUFDGTLV-GJZGRUSLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000432847083 1073787160 /nfs/dbraw/zinc/78/71/60/1073787160.db2.gz RKZZWRTUFDGTLV-GJZGRUSLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000432847084 1073787453 /nfs/dbraw/zinc/78/74/53/1073787453.db2.gz RKZZWRTUFDGTLV-HUUCEWRRSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000432847084 1073787451 /nfs/dbraw/zinc/78/74/51/1073787451.db2.gz RKZZWRTUFDGTLV-HUUCEWRRSA-N 2 2 379.509 -0.814 20 0 GBADLP COc1cc(CN2CC[NH+](CCO)CC2)cc(CN2CC[NH+](CCO)CC2)c1 ZINC000432936412 1073848619 /nfs/dbraw/zinc/84/86/19/1073848619.db2.gz DEZVRLLLLZCPRJ-UHFFFAOYSA-N 2 2 392.544 -0.085 20 0 GBADLP [NH3+]C1CC[NH+](CCCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000433161125 1073885996 /nfs/dbraw/zinc/88/59/96/1073885996.db2.gz QQCMOJKAQMPMST-UHFFFAOYSA-N 3 2 375.521 -0.082 20 0 GBADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cn2)CC1 ZINC000433171627 1073887843 /nfs/dbraw/zinc/88/78/43/1073887843.db2.gz FGKJKUYLEPCTSF-UHFFFAOYSA-N 3 2 391.520 -0.201 20 0 GBADLP CC(C)[C@H](C[NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433172837 1073890831 /nfs/dbraw/zinc/89/08/31/1073890831.db2.gz IPDQXJVVEYYYHO-HNNXBMFYSA-N 2 2 383.518 -0.120 20 0 GBADLP CC(C)[C@@H](C[NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433172839 1073891327 /nfs/dbraw/zinc/89/13/27/1073891327.db2.gz IPDQXJVVEYYYHO-OAHLLOKOSA-N 2 2 383.518 -0.120 20 0 GBADLP O=C(CCCCCC(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](CCO)CC1 ZINC000433836633 1073970908 /nfs/dbraw/zinc/97/09/08/1073970908.db2.gz AFAKCAPGVPRGPB-UHFFFAOYSA-N 2 2 384.521 -0.790 20 0 GBADLP C[C@](O)(CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000434323027 1072619537 /nfs/dbraw/zinc/61/95/37/1072619537.db2.gz YOFPEGAYPAQWIS-FQEVSTJZSA-N 2 2 391.516 -0.207 20 0 GBADLP C[C@@](O)(CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000434323029 1072619319 /nfs/dbraw/zinc/61/93/19/1072619319.db2.gz YOFPEGAYPAQWIS-HXUWFJFHSA-N 2 2 391.516 -0.207 20 0 GBADLP C[NH+]1CCN(c2cc(C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)ccn2)CC1 ZINC000434328236 1072619296 /nfs/dbraw/zinc/61/92/96/1072619296.db2.gz UGRZZWTZRSJHIM-IBGZPJMESA-N 2 2 377.489 -0.354 20 0 GBADLP C[NH+]1CCN(c2cc(C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)ccn2)CC1 ZINC000434328237 1072618984 /nfs/dbraw/zinc/61/89/84/1072618984.db2.gz UGRZZWTZRSJHIM-LJQANCHMSA-N 2 2 377.489 -0.354 20 0 GBADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000434422279 1072623476 /nfs/dbraw/zinc/62/34/76/1072623476.db2.gz QOTAXJAQQLRUBK-DLBZAZTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000434422280 1072622962 /nfs/dbraw/zinc/62/29/62/1072622962.db2.gz QOTAXJAQQLRUBK-IAGOWNOFSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000434422281 1072623114 /nfs/dbraw/zinc/62/31/14/1072623114.db2.gz QOTAXJAQQLRUBK-IRXDYDNUSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000434422282 1072623099 /nfs/dbraw/zinc/62/30/99/1072623099.db2.gz QOTAXJAQQLRUBK-SJORKVTESA-N 2 2 382.505 -0.870 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000434480008 1072625831 /nfs/dbraw/zinc/62/58/31/1072625831.db2.gz LPVGXHRSTHAGBI-KRWDZBQOSA-N 2 2 377.489 -0.402 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000434480009 1072626017 /nfs/dbraw/zinc/62/60/17/1072626017.db2.gz LPVGXHRSTHAGBI-QGZVFWFLSA-N 2 2 377.489 -0.402 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000434745437 1072643755 /nfs/dbraw/zinc/64/37/55/1072643755.db2.gz KHRQCQGLDFJWGL-IBGZPJMESA-N 2 2 398.471 -0.776 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000434745437 1072643745 /nfs/dbraw/zinc/64/37/45/1072643745.db2.gz KHRQCQGLDFJWGL-IBGZPJMESA-N 2 2 398.471 -0.776 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000434745440 1072643853 /nfs/dbraw/zinc/64/38/53/1072643853.db2.gz KHRQCQGLDFJWGL-LJQANCHMSA-N 2 2 398.471 -0.776 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000434745440 1072643849 /nfs/dbraw/zinc/64/38/49/1072643849.db2.gz KHRQCQGLDFJWGL-LJQANCHMSA-N 2 2 398.471 -0.776 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000435230352 1072676449 /nfs/dbraw/zinc/67/64/49/1072676449.db2.gz PHAQVXBFBSOSEF-HNNXBMFYSA-N 2 2 384.488 -0.162 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000435230353 1072676599 /nfs/dbraw/zinc/67/65/99/1072676599.db2.gz PHAQVXBFBSOSEF-OAHLLOKOSA-N 2 2 384.488 -0.162 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000435248061 1072678594 /nfs/dbraw/zinc/67/85/94/1072678594.db2.gz DTBCMCRMMPNWHZ-UHFFFAOYSA-N 2 2 380.493 -0.048 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000435248061 1072678592 /nfs/dbraw/zinc/67/85/92/1072678592.db2.gz DTBCMCRMMPNWHZ-UHFFFAOYSA-N 2 2 380.493 -0.048 20 0 GBADLP OCCN1CC[NH+](CCCCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000435350642 1072690632 /nfs/dbraw/zinc/69/06/32/1072690632.db2.gz OTLQQLUAAZKXBY-KRWDZBQOSA-N 2 2 378.521 -0.287 20 0 GBADLP OCCN1CC[NH+](CCCCNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000435350643 1072690472 /nfs/dbraw/zinc/69/04/72/1072690472.db2.gz OTLQQLUAAZKXBY-QGZVFWFLSA-N 2 2 378.521 -0.287 20 0 GBADLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc(OC)c1OCC(N)=O ZINC000435382672 1072693037 /nfs/dbraw/zinc/69/30/37/1072693037.db2.gz FAPHCFUWENDHAV-UHFFFAOYSA-N 2 2 380.445 -0.569 20 0 GBADLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc(OC)c1OCC(N)=O ZINC000435382672 1072693030 /nfs/dbraw/zinc/69/30/30/1072693030.db2.gz FAPHCFUWENDHAV-UHFFFAOYSA-N 2 2 380.445 -0.569 20 0 GBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435499901 1072698407 /nfs/dbraw/zinc/69/84/07/1072698407.db2.gz IIPZCAKRBPRFTN-DLBZAZTESA-N 2 2 399.536 -0.736 20 0 GBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435499901 1072698405 /nfs/dbraw/zinc/69/84/05/1072698405.db2.gz IIPZCAKRBPRFTN-DLBZAZTESA-N 2 2 399.536 -0.736 20 0 GBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435499902 1072698647 /nfs/dbraw/zinc/69/86/47/1072698647.db2.gz IIPZCAKRBPRFTN-IAGOWNOFSA-N 2 2 399.536 -0.736 20 0 GBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435499902 1072698639 /nfs/dbraw/zinc/69/86/39/1072698639.db2.gz IIPZCAKRBPRFTN-IAGOWNOFSA-N 2 2 399.536 -0.736 20 0 GBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435499903 1072698772 /nfs/dbraw/zinc/69/87/72/1072698772.db2.gz IIPZCAKRBPRFTN-IRXDYDNUSA-N 2 2 399.536 -0.736 20 0 GBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435499903 1072698764 /nfs/dbraw/zinc/69/87/64/1072698764.db2.gz IIPZCAKRBPRFTN-IRXDYDNUSA-N 2 2 399.536 -0.736 20 0 GBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435499904 1072698624 /nfs/dbraw/zinc/69/86/24/1072698624.db2.gz IIPZCAKRBPRFTN-SJORKVTESA-N 2 2 399.536 -0.736 20 0 GBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435499904 1072698621 /nfs/dbraw/zinc/69/86/21/1072698621.db2.gz IIPZCAKRBPRFTN-SJORKVTESA-N 2 2 399.536 -0.736 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000435515609 1072699572 /nfs/dbraw/zinc/69/95/72/1072699572.db2.gz QBMNKVWDAKRBNA-KRWDZBQOSA-N 2 2 384.521 -0.034 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000435515610 1072699496 /nfs/dbraw/zinc/69/94/96/1072699496.db2.gz QBMNKVWDAKRBNA-QGZVFWFLSA-N 2 2 384.521 -0.034 20 0 GBADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](CNS(C)(=O)=O)C3)cn2)CC1 ZINC000435771325 1072717386 /nfs/dbraw/zinc/71/73/86/1072717386.db2.gz LHNJOQGFEHUXED-HNNXBMFYSA-N 2 2 382.534 -0.010 20 0 GBADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](CNS(C)(=O)=O)C3)cn2)CC1 ZINC000435771325 1072717382 /nfs/dbraw/zinc/71/73/82/1072717382.db2.gz LHNJOQGFEHUXED-HNNXBMFYSA-N 2 2 382.534 -0.010 20 0 GBADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](CNS(C)(=O)=O)C3)cn2)CC1 ZINC000435771326 1072717334 /nfs/dbraw/zinc/71/73/34/1072717334.db2.gz LHNJOQGFEHUXED-OAHLLOKOSA-N 2 2 382.534 -0.010 20 0 GBADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](CNS(C)(=O)=O)C3)cn2)CC1 ZINC000435771326 1072717326 /nfs/dbraw/zinc/71/73/26/1072717326.db2.gz LHNJOQGFEHUXED-OAHLLOKOSA-N 2 2 382.534 -0.010 20 0 GBADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436051078 1072729081 /nfs/dbraw/zinc/72/90/81/1072729081.db2.gz KBUCQMCZSFIEOZ-AWEZNQCLSA-N 2 2 397.501 -0.408 20 0 GBADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436051078 1072729076 /nfs/dbraw/zinc/72/90/76/1072729076.db2.gz KBUCQMCZSFIEOZ-AWEZNQCLSA-N 2 2 397.501 -0.408 20 0 GBADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436051082 1072729200 /nfs/dbraw/zinc/72/92/00/1072729200.db2.gz KBUCQMCZSFIEOZ-CQSZACIVSA-N 2 2 397.501 -0.408 20 0 GBADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436051082 1072729193 /nfs/dbraw/zinc/72/91/93/1072729193.db2.gz KBUCQMCZSFIEOZ-CQSZACIVSA-N 2 2 397.501 -0.408 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053136 1072730860 /nfs/dbraw/zinc/73/08/60/1072730860.db2.gz NUMXQXDXZKGLCW-MSOLQXFVSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053136 1072730857 /nfs/dbraw/zinc/73/08/57/1072730857.db2.gz NUMXQXDXZKGLCW-MSOLQXFVSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053136 1072730853 /nfs/dbraw/zinc/73/08/53/1072730853.db2.gz NUMXQXDXZKGLCW-MSOLQXFVSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053136 1072730849 /nfs/dbraw/zinc/73/08/49/1072730849.db2.gz NUMXQXDXZKGLCW-MSOLQXFVSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053137 1072730999 /nfs/dbraw/zinc/73/09/99/1072730999.db2.gz NUMXQXDXZKGLCW-QZTJIDSGSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053137 1072730996 /nfs/dbraw/zinc/73/09/96/1072730996.db2.gz NUMXQXDXZKGLCW-QZTJIDSGSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053137 1072730992 /nfs/dbraw/zinc/73/09/92/1072730992.db2.gz NUMXQXDXZKGLCW-QZTJIDSGSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053137 1072730988 /nfs/dbraw/zinc/73/09/88/1072730988.db2.gz NUMXQXDXZKGLCW-QZTJIDSGSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053138 1072731159 /nfs/dbraw/zinc/73/11/59/1072731159.db2.gz NUMXQXDXZKGLCW-ROUUACIJSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053138 1072731150 /nfs/dbraw/zinc/73/11/50/1072731150.db2.gz NUMXQXDXZKGLCW-ROUUACIJSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053138 1072731144 /nfs/dbraw/zinc/73/11/44/1072731144.db2.gz NUMXQXDXZKGLCW-ROUUACIJSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053138 1072731141 /nfs/dbraw/zinc/73/11/41/1072731141.db2.gz NUMXQXDXZKGLCW-ROUUACIJSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053139 1072731274 /nfs/dbraw/zinc/73/12/74/1072731274.db2.gz NUMXQXDXZKGLCW-ZWKOTPCHSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053139 1072731266 /nfs/dbraw/zinc/73/12/66/1072731266.db2.gz NUMXQXDXZKGLCW-ZWKOTPCHSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053139 1072731255 /nfs/dbraw/zinc/73/12/55/1072731255.db2.gz NUMXQXDXZKGLCW-ZWKOTPCHSA-N 3 2 397.564 -0.221 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053139 1072731253 /nfs/dbraw/zinc/73/12/53/1072731253.db2.gz NUMXQXDXZKGLCW-ZWKOTPCHSA-N 3 2 397.564 -0.221 20 0 GBADLP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062581 1072730189 /nfs/dbraw/zinc/73/01/89/1072730189.db2.gz RYHPFLHEBZKVBT-CVEARBPZSA-N 2 2 381.521 -0.177 20 0 GBADLP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062581 1072730187 /nfs/dbraw/zinc/73/01/87/1072730187.db2.gz RYHPFLHEBZKVBT-CVEARBPZSA-N 2 2 381.521 -0.177 20 0 GBADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062583 1072730212 /nfs/dbraw/zinc/73/02/12/1072730212.db2.gz RYHPFLHEBZKVBT-HOTGVXAUSA-N 2 2 381.521 -0.177 20 0 GBADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062583 1072730206 /nfs/dbraw/zinc/73/02/06/1072730206.db2.gz RYHPFLHEBZKVBT-HOTGVXAUSA-N 2 2 381.521 -0.177 20 0 GBADLP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062584 1072730075 /nfs/dbraw/zinc/73/00/75/1072730075.db2.gz RYHPFLHEBZKVBT-HZPDHXFCSA-N 2 2 381.521 -0.177 20 0 GBADLP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062584 1072730068 /nfs/dbraw/zinc/73/00/68/1072730068.db2.gz RYHPFLHEBZKVBT-HZPDHXFCSA-N 2 2 381.521 -0.177 20 0 GBADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062585 1072730267 /nfs/dbraw/zinc/73/02/67/1072730267.db2.gz RYHPFLHEBZKVBT-JKSUJKDBSA-N 2 2 381.521 -0.177 20 0 GBADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062585 1072730262 /nfs/dbraw/zinc/73/02/62/1072730262.db2.gz RYHPFLHEBZKVBT-JKSUJKDBSA-N 2 2 381.521 -0.177 20 0 GBADLP CNC(=O)[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063145 1072730380 /nfs/dbraw/zinc/73/03/80/1072730380.db2.gz XDFANBXALRXPES-APWZRJJASA-N 2 2 389.500 -0.091 20 0 GBADLP CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063145 1072730373 /nfs/dbraw/zinc/73/03/73/1072730373.db2.gz XDFANBXALRXPES-APWZRJJASA-N 2 2 389.500 -0.091 20 0 GBADLP CNC(=O)[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063146 1072730362 /nfs/dbraw/zinc/73/03/62/1072730362.db2.gz XDFANBXALRXPES-LPHOPBHVSA-N 2 2 389.500 -0.091 20 0 GBADLP CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063146 1072730358 /nfs/dbraw/zinc/73/03/58/1072730358.db2.gz XDFANBXALRXPES-LPHOPBHVSA-N 2 2 389.500 -0.091 20 0 GBADLP CNC(=O)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063147 1072730100 /nfs/dbraw/zinc/73/01/00/1072730100.db2.gz XDFANBXALRXPES-QFBILLFUSA-N 2 2 389.500 -0.091 20 0 GBADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063147 1072730097 /nfs/dbraw/zinc/73/00/97/1072730097.db2.gz XDFANBXALRXPES-QFBILLFUSA-N 2 2 389.500 -0.091 20 0 GBADLP CNC(=O)[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063148 1072730144 /nfs/dbraw/zinc/73/01/44/1072730144.db2.gz XDFANBXALRXPES-VQIMIIECSA-N 2 2 389.500 -0.091 20 0 GBADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063148 1072730139 /nfs/dbraw/zinc/73/01/39/1072730139.db2.gz XDFANBXALRXPES-VQIMIIECSA-N 2 2 389.500 -0.091 20 0 GBADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436063778 1072729909 /nfs/dbraw/zinc/72/99/09/1072729909.db2.gz LHYHYANGXSAGGR-AWEZNQCLSA-N 2 2 397.501 -0.408 20 0 GBADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436063778 1072729898 /nfs/dbraw/zinc/72/98/98/1072729898.db2.gz LHYHYANGXSAGGR-AWEZNQCLSA-N 2 2 397.501 -0.408 20 0 GBADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436063779 1072730033 /nfs/dbraw/zinc/73/00/33/1072730033.db2.gz LHYHYANGXSAGGR-CQSZACIVSA-N 2 2 397.501 -0.408 20 0 GBADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436063779 1072730027 /nfs/dbraw/zinc/73/00/27/1072730027.db2.gz LHYHYANGXSAGGR-CQSZACIVSA-N 2 2 397.501 -0.408 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000436140710 1072732862 /nfs/dbraw/zinc/73/28/62/1072732862.db2.gz KVGBTWVRZRFVHW-GOSISDBHSA-N 2 2 399.580 -0.137 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000436140710 1072732859 /nfs/dbraw/zinc/73/28/59/1072732859.db2.gz KVGBTWVRZRFVHW-GOSISDBHSA-N 2 2 399.580 -0.137 20 0 GBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000436140711 1072732528 /nfs/dbraw/zinc/73/25/28/1072732528.db2.gz KVGBTWVRZRFVHW-SFHVURJKSA-N 2 2 399.580 -0.137 20 0 GBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000436140711 1072732518 /nfs/dbraw/zinc/73/25/18/1072732518.db2.gz KVGBTWVRZRFVHW-SFHVURJKSA-N 2 2 399.580 -0.137 20 0 GBADLP C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@H+]1CC(C)(C)O ZINC000436147938 1072733371 /nfs/dbraw/zinc/73/33/71/1072733371.db2.gz DUXTUJKXOGQMBB-GOSISDBHSA-N 2 2 399.580 -0.137 20 0 GBADLP C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1CC(C)(C)O ZINC000436147938 1072733364 /nfs/dbraw/zinc/73/33/64/1072733364.db2.gz DUXTUJKXOGQMBB-GOSISDBHSA-N 2 2 399.580 -0.137 20 0 GBADLP C[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@H+]1CC(C)(C)O ZINC000436147939 1072733780 /nfs/dbraw/zinc/73/37/80/1072733780.db2.gz DUXTUJKXOGQMBB-SFHVURJKSA-N 2 2 399.580 -0.137 20 0 GBADLP C[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1CC(C)(C)O ZINC000436147939 1072733768 /nfs/dbraw/zinc/73/37/68/1072733768.db2.gz DUXTUJKXOGQMBB-SFHVURJKSA-N 2 2 399.580 -0.137 20 0 GBADLP CNC(=O)CCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000436423352 1072744736 /nfs/dbraw/zinc/74/47/36/1072744736.db2.gz SCBICNLAJWJTSZ-UHFFFAOYSA-N 2 2 381.521 -0.401 20 0 GBADLP Cc1cnc(N2CC[NH+](C[C@@H](C)O)CC2)nc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000436459867 1072747727 /nfs/dbraw/zinc/74/77/27/1072747727.db2.gz SMOVMEZTDBRNHV-IAGOWNOFSA-N 2 2 378.521 -0.209 20 0 GBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000436964033 1072769032 /nfs/dbraw/zinc/76/90/32/1072769032.db2.gz QRNAWDKPXAJLBY-GASCZTMLSA-N 2 2 380.493 -0.049 20 0 GBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000436964033 1072769019 /nfs/dbraw/zinc/76/90/19/1072769019.db2.gz QRNAWDKPXAJLBY-GASCZTMLSA-N 2 2 380.493 -0.049 20 0 GBADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437286132 1072798752 /nfs/dbraw/zinc/79/87/52/1072798752.db2.gz NOXBFYGBAXAHJZ-INIZCTEOSA-N 2 2 392.504 -0.046 20 0 GBADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437286132 1072798746 /nfs/dbraw/zinc/79/87/46/1072798746.db2.gz NOXBFYGBAXAHJZ-INIZCTEOSA-N 2 2 392.504 -0.046 20 0 GBADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437286148 1072798658 /nfs/dbraw/zinc/79/86/58/1072798658.db2.gz NOXBFYGBAXAHJZ-MRXNPFEDSA-N 2 2 392.504 -0.046 20 0 GBADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437286148 1072798651 /nfs/dbraw/zinc/79/86/51/1072798651.db2.gz NOXBFYGBAXAHJZ-MRXNPFEDSA-N 2 2 392.504 -0.046 20 0 GBADLP CN(C)c1ncncc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437433206 1072816439 /nfs/dbraw/zinc/81/64/39/1072816439.db2.gz QXLDTEBEVUTXOY-UHFFFAOYSA-N 2 2 377.493 -0.035 20 0 GBADLP CN(C)c1ncncc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437433206 1072816429 /nfs/dbraw/zinc/81/64/29/1072816429.db2.gz QXLDTEBEVUTXOY-UHFFFAOYSA-N 2 2 377.493 -0.035 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000437442977 1072816714 /nfs/dbraw/zinc/81/67/14/1072816714.db2.gz AAVWUTZQJFZERY-UHFFFAOYSA-N 2 2 386.447 0.571 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000437442977 1072816709 /nfs/dbraw/zinc/81/67/09/1072816709.db2.gz AAVWUTZQJFZERY-UHFFFAOYSA-N 2 2 386.447 0.571 20 0 GBADLP CN(C)c1ncc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000437446119 1072816639 /nfs/dbraw/zinc/81/66/39/1072816639.db2.gz KSPPKQRYUWNYPM-UHFFFAOYSA-N 2 2 377.493 -0.035 20 0 GBADLP CN(C)c1ncc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000437446119 1072816633 /nfs/dbraw/zinc/81/66/33/1072816633.db2.gz KSPPKQRYUWNYPM-UHFFFAOYSA-N 2 2 377.493 -0.035 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000437457835 1072817259 /nfs/dbraw/zinc/81/72/59/1072817259.db2.gz ZKKCHRZWKWFSOT-UHFFFAOYSA-N 2 2 379.509 0.456 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000437457835 1072817253 /nfs/dbraw/zinc/81/72/53/1072817253.db2.gz ZKKCHRZWKWFSOT-UHFFFAOYSA-N 2 2 379.509 0.456 20 0 GBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438309596 1072877541 /nfs/dbraw/zinc/87/75/41/1072877541.db2.gz ZEOKIJPKXFDWGM-INIZCTEOSA-N 2 2 380.493 0.448 20 0 GBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438309597 1072878194 /nfs/dbraw/zinc/87/81/94/1072878194.db2.gz ZEOKIJPKXFDWGM-MRXNPFEDSA-N 2 2 380.493 0.448 20 0 GBADLP COCC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438317893 1072880120 /nfs/dbraw/zinc/88/01/20/1072880120.db2.gz DSSFNXDNHRWUMW-UHFFFAOYSA-N 2 2 380.493 0.448 20 0 GBADLP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438322668 1072879866 /nfs/dbraw/zinc/87/98/66/1072879866.db2.gz HWDLPXCETXLIFB-KRWDZBQOSA-N 2 2 394.520 0.430 20 0 GBADLP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438322669 1072879659 /nfs/dbraw/zinc/87/96/59/1072879659.db2.gz HWDLPXCETXLIFB-QGZVFWFLSA-N 2 2 394.520 0.430 20 0 GBADLP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438325950 1072879808 /nfs/dbraw/zinc/87/98/08/1072879808.db2.gz IDPAGQITAJTXPD-KRWDZBQOSA-N 2 2 394.520 0.574 20 0 GBADLP O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438325950 1072879798 /nfs/dbraw/zinc/87/97/98/1072879798.db2.gz IDPAGQITAJTXPD-KRWDZBQOSA-N 2 2 394.520 0.574 20 0 GBADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438325955 1072879959 /nfs/dbraw/zinc/87/99/59/1072879959.db2.gz IDPAGQITAJTXPD-QGZVFWFLSA-N 2 2 394.520 0.574 20 0 GBADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438325955 1072879949 /nfs/dbraw/zinc/87/99/49/1072879949.db2.gz IDPAGQITAJTXPD-QGZVFWFLSA-N 2 2 394.520 0.574 20 0 GBADLP C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000438330294 1072879037 /nfs/dbraw/zinc/87/90/37/1072879037.db2.gz YOMIRGCPQWWMLR-INIZCTEOSA-N 2 2 380.493 0.305 20 0 GBADLP C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000438330295 1072878657 /nfs/dbraw/zinc/87/86/57/1072878657.db2.gz YOMIRGCPQWWMLR-MRXNPFEDSA-N 2 2 380.493 0.305 20 0 GBADLP CC[NH+]1CCN(c2nc(N3CCOCC3)nc(N3CC[NH+](CC)CC3)n2)CC1 ZINC000438401173 1072883735 /nfs/dbraw/zinc/88/37/35/1072883735.db2.gz QMUBXLWVLUEAFS-UHFFFAOYSA-N 2 2 390.536 -0.008 20 0 GBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@H+]1CCCOCC1 ZINC000438693041 1072904030 /nfs/dbraw/zinc/90/40/30/1072904030.db2.gz RROWCBREBMPOBC-KRWDZBQOSA-N 2 2 382.505 -0.462 20 0 GBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000438693041 1072904023 /nfs/dbraw/zinc/90/40/23/1072904023.db2.gz RROWCBREBMPOBC-KRWDZBQOSA-N 2 2 382.505 -0.462 20 0 GBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@H+]1CCCOCC1 ZINC000438693050 1072903575 /nfs/dbraw/zinc/90/35/75/1072903575.db2.gz RROWCBREBMPOBC-QGZVFWFLSA-N 2 2 382.505 -0.462 20 0 GBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000438693050 1072903565 /nfs/dbraw/zinc/90/35/65/1072903565.db2.gz RROWCBREBMPOBC-QGZVFWFLSA-N 2 2 382.505 -0.462 20 0 GBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000439205245 1072934848 /nfs/dbraw/zinc/93/48/48/1072934848.db2.gz MFMLEMLHGQQWRF-UHFFFAOYSA-N 2 2 378.477 -0.292 20 0 GBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439214671 1072936671 /nfs/dbraw/zinc/93/66/71/1072936671.db2.gz OMXJHIOZVUSXSV-UHFFFAOYSA-N 2 2 378.477 -0.292 20 0 GBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000439339150 1072943211 /nfs/dbraw/zinc/94/32/11/1072943211.db2.gz FGHDGYGCRSYIMR-HNNXBMFYSA-N 2 2 378.477 -0.294 20 0 GBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000439339150 1072943203 /nfs/dbraw/zinc/94/32/03/1072943203.db2.gz FGHDGYGCRSYIMR-HNNXBMFYSA-N 2 2 378.477 -0.294 20 0 GBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000439339152 1072943082 /nfs/dbraw/zinc/94/30/82/1072943082.db2.gz FGHDGYGCRSYIMR-OAHLLOKOSA-N 2 2 378.477 -0.294 20 0 GBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000439339152 1072943080 /nfs/dbraw/zinc/94/30/80/1072943080.db2.gz FGHDGYGCRSYIMR-OAHLLOKOSA-N 2 2 378.477 -0.294 20 0 GBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439352608 1072945400 /nfs/dbraw/zinc/94/54/00/1072945400.db2.gz PLLVNIYXMUTMCC-HNNXBMFYSA-N 2 2 378.477 -0.294 20 0 GBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439352608 1072945395 /nfs/dbraw/zinc/94/53/95/1072945395.db2.gz PLLVNIYXMUTMCC-HNNXBMFYSA-N 2 2 378.477 -0.294 20 0 GBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439352609 1072945472 /nfs/dbraw/zinc/94/54/72/1072945472.db2.gz PLLVNIYXMUTMCC-OAHLLOKOSA-N 2 2 378.477 -0.294 20 0 GBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439352609 1072945459 /nfs/dbraw/zinc/94/54/59/1072945459.db2.gz PLLVNIYXMUTMCC-OAHLLOKOSA-N 2 2 378.477 -0.294 20 0 GBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)ccn2)CC1 ZINC000439546896 1072956144 /nfs/dbraw/zinc/95/61/44/1072956144.db2.gz VXSAJYOBFJCGGH-UHFFFAOYSA-N 2 2 390.488 -0.088 20 0 GBADLP CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000439591420 1072959309 /nfs/dbraw/zinc/95/93/09/1072959309.db2.gz TZAHBVAUWHSEJQ-KRWDZBQOSA-N 2 2 390.488 -0.151 20 0 GBADLP CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439591420 1072959304 /nfs/dbraw/zinc/95/93/04/1072959304.db2.gz TZAHBVAUWHSEJQ-KRWDZBQOSA-N 2 2 390.488 -0.151 20 0 GBADLP CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000439591422 1072959012 /nfs/dbraw/zinc/95/90/12/1072959012.db2.gz TZAHBVAUWHSEJQ-QGZVFWFLSA-N 2 2 390.488 -0.151 20 0 GBADLP CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439591422 1072959003 /nfs/dbraw/zinc/95/90/03/1072959003.db2.gz TZAHBVAUWHSEJQ-QGZVFWFLSA-N 2 2 390.488 -0.151 20 0 GBADLP Cc1cn2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)ccc2[nH+]1 ZINC000439638229 1072961684 /nfs/dbraw/zinc/96/16/84/1072961684.db2.gz VNDCEWIKRICHHR-UHFFFAOYSA-N 2 2 377.445 -0.020 20 0 GBADLP CCS(=O)(=O)N1CC(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000439910328 530385766 /nfs/dbraw/zinc/38/57/66/530385766.db2.gz MLAZHWYFKVEFFI-UHFFFAOYSA-N 2 2 375.539 -0.407 20 0 GBADLP CCS(=O)(=O)N1CC(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000439941352 1072979358 /nfs/dbraw/zinc/97/93/58/1072979358.db2.gz MXKLDMVHGUDZOS-UHFFFAOYSA-N 2 2 389.566 -0.065 20 0 GBADLP CCS(=O)(=O)N1CC(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000439941352 1072979345 /nfs/dbraw/zinc/97/93/45/1072979345.db2.gz MXKLDMVHGUDZOS-UHFFFAOYSA-N 2 2 389.566 -0.065 20 0 GBADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000440272305 1072997812 /nfs/dbraw/zinc/99/78/12/1072997812.db2.gz PGJSOXHKLOLMKM-UHFFFAOYSA-N 2 2 392.504 0.098 20 0 GBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000440276848 1072998297 /nfs/dbraw/zinc/99/82/97/1072998297.db2.gz OBCZUNFCYGOBOK-UHFFFAOYSA-N 2 2 385.472 0.302 20 0 GBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000440276848 1072998287 /nfs/dbraw/zinc/99/82/87/1072998287.db2.gz OBCZUNFCYGOBOK-UHFFFAOYSA-N 2 2 385.472 0.302 20 0 GBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000441088716 1073108143 /nfs/dbraw/zinc/10/81/43/1073108143.db2.gz QKTMVYWUHTWFQV-CVEARBPZSA-N 2 2 392.504 0.095 20 0 GBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000441088716 1073108140 /nfs/dbraw/zinc/10/81/40/1073108140.db2.gz QKTMVYWUHTWFQV-CVEARBPZSA-N 2 2 392.504 0.095 20 0 GBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000441088717 1073107932 /nfs/dbraw/zinc/10/79/32/1073107932.db2.gz QKTMVYWUHTWFQV-HOTGVXAUSA-N 2 2 392.504 0.095 20 0 GBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000441088717 1073107927 /nfs/dbraw/zinc/10/79/27/1073107927.db2.gz QKTMVYWUHTWFQV-HOTGVXAUSA-N 2 2 392.504 0.095 20 0 GBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000441088718 1073107961 /nfs/dbraw/zinc/10/79/61/1073107961.db2.gz QKTMVYWUHTWFQV-HZPDHXFCSA-N 2 2 392.504 0.095 20 0 GBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000441088718 1073107957 /nfs/dbraw/zinc/10/79/57/1073107957.db2.gz QKTMVYWUHTWFQV-HZPDHXFCSA-N 2 2 392.504 0.095 20 0 GBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000441088719 1073108184 /nfs/dbraw/zinc/10/81/84/1073108184.db2.gz QKTMVYWUHTWFQV-JKSUJKDBSA-N 2 2 392.504 0.095 20 0 GBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000441088719 1073108182 /nfs/dbraw/zinc/10/81/82/1073108182.db2.gz QKTMVYWUHTWFQV-JKSUJKDBSA-N 2 2 392.504 0.095 20 0 GBADLP CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000441113367 1073108099 /nfs/dbraw/zinc/10/80/99/1073108099.db2.gz MPFXSYCDGYASLT-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP CCOC(=O)CNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000441113369 1073107825 /nfs/dbraw/zinc/10/78/25/1073107825.db2.gz MPFXSYCDGYASLT-OAHLLOKOSA-N 2 2 382.505 -0.070 20 0 GBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441242366 1073112347 /nfs/dbraw/zinc/11/23/47/1073112347.db2.gz DYVSVIKWQYTMJN-FGTMMUONSA-N 2 2 395.548 -0.598 20 0 GBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441242366 1073112344 /nfs/dbraw/zinc/11/23/44/1073112344.db2.gz DYVSVIKWQYTMJN-FGTMMUONSA-N 2 2 395.548 -0.598 20 0 GBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441242367 1073112411 /nfs/dbraw/zinc/11/24/11/1073112411.db2.gz DYVSVIKWQYTMJN-KZNAEPCWSA-N 2 2 395.548 -0.598 20 0 GBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441242367 1073112406 /nfs/dbraw/zinc/11/24/06/1073112406.db2.gz DYVSVIKWQYTMJN-KZNAEPCWSA-N 2 2 395.548 -0.598 20 0 GBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441242368 1073112315 /nfs/dbraw/zinc/11/23/15/1073112315.db2.gz DYVSVIKWQYTMJN-OKZBNKHCSA-N 2 2 395.548 -0.598 20 0 GBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441242368 1073112312 /nfs/dbraw/zinc/11/23/12/1073112312.db2.gz DYVSVIKWQYTMJN-OKZBNKHCSA-N 2 2 395.548 -0.598 20 0 GBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441242369 1073112500 /nfs/dbraw/zinc/11/25/00/1073112500.db2.gz DYVSVIKWQYTMJN-RCCFBDPRSA-N 2 2 395.548 -0.598 20 0 GBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441242369 1073112488 /nfs/dbraw/zinc/11/24/88/1073112488.db2.gz DYVSVIKWQYTMJN-RCCFBDPRSA-N 2 2 395.548 -0.598 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)N(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000441448707 1073166972 /nfs/dbraw/zinc/16/69/72/1073166972.db2.gz HBGYIKPAHINDOE-FZDBZEDMSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)N(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000441448707 1073166969 /nfs/dbraw/zinc/16/69/69/1073166969.db2.gz HBGYIKPAHINDOE-FZDBZEDMSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)N(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)C1 ZINC000441448707 1073166967 /nfs/dbraw/zinc/16/69/67/1073166967.db2.gz HBGYIKPAHINDOE-FZDBZEDMSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)N(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)C1 ZINC000441448707 1073166964 /nfs/dbraw/zinc/16/69/64/1073166964.db2.gz HBGYIKPAHINDOE-FZDBZEDMSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)N(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000441448709 1073166807 /nfs/dbraw/zinc/16/68/07/1073166807.db2.gz HBGYIKPAHINDOE-MHORFTMASA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)N(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000441448709 1073166802 /nfs/dbraw/zinc/16/68/02/1073166802.db2.gz HBGYIKPAHINDOE-MHORFTMASA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)N(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)C1 ZINC000441448709 1073166797 /nfs/dbraw/zinc/16/67/97/1073166797.db2.gz HBGYIKPAHINDOE-MHORFTMASA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)N(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)C1 ZINC000441448709 1073166791 /nfs/dbraw/zinc/16/67/91/1073166791.db2.gz HBGYIKPAHINDOE-MHORFTMASA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H](C)N(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)C1 ZINC000441448710 1073166769 /nfs/dbraw/zinc/16/67/69/1073166769.db2.gz HBGYIKPAHINDOE-USTZCAOPSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H](C)N(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)C1 ZINC000441448710 1073166767 /nfs/dbraw/zinc/16/67/67/1073166767.db2.gz HBGYIKPAHINDOE-USTZCAOPSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)N(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000441448710 1073166760 /nfs/dbraw/zinc/16/67/60/1073166760.db2.gz HBGYIKPAHINDOE-USTZCAOPSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)N(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000441448710 1073166755 /nfs/dbraw/zinc/16/67/55/1073166755.db2.gz HBGYIKPAHINDOE-USTZCAOPSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)N(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000441448712 1073166871 /nfs/dbraw/zinc/16/68/71/1073166871.db2.gz HBGYIKPAHINDOE-XMTFNYHQSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)N(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C)C1 ZINC000441448712 1073166865 /nfs/dbraw/zinc/16/68/65/1073166865.db2.gz HBGYIKPAHINDOE-XMTFNYHQSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H](C)N(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)C1 ZINC000441448712 1073166862 /nfs/dbraw/zinc/16/68/62/1073166862.db2.gz HBGYIKPAHINDOE-XMTFNYHQSA-N 2 2 396.532 -0.124 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H](C)N(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)C1 ZINC000441448712 1073166857 /nfs/dbraw/zinc/16/68/57/1073166857.db2.gz HBGYIKPAHINDOE-XMTFNYHQSA-N 2 2 396.532 -0.124 20 0 GBADLP C[N@H+]1CCN(CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1(C)C ZINC000441671384 1073191919 /nfs/dbraw/zinc/19/19/19/1073191919.db2.gz PEBKQLBIUDESQC-UHFFFAOYSA-N 2 2 393.536 0.363 20 0 GBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441836175 1073229066 /nfs/dbraw/zinc/22/90/66/1073229066.db2.gz XXGXLFRJXQVXGH-UHFFFAOYSA-N 2 2 379.461 -0.140 20 0 GBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441922068 1073233552 /nfs/dbraw/zinc/23/35/52/1073233552.db2.gz LLHBUMGREAPTSQ-UHFFFAOYSA-N 2 2 378.477 -0.294 20 0 GBADLP C[N@H+]1CCN(CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1(C)C ZINC000442170376 1073247153 /nfs/dbraw/zinc/24/71/53/1073247153.db2.gz LXKFABOBLZYPIA-UHFFFAOYSA-N 2 2 398.596 -0.298 20 0 GBADLP C[N@@H+]1CCN(CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1(C)C ZINC000442170376 1073247149 /nfs/dbraw/zinc/24/71/49/1073247149.db2.gz LXKFABOBLZYPIA-UHFFFAOYSA-N 2 2 398.596 -0.298 20 0 GBADLP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000442198222 1073249438 /nfs/dbraw/zinc/24/94/38/1073249438.db2.gz ZMGJCQRAPGOHNU-UHFFFAOYSA-N 2 2 379.461 -0.093 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)NCCn1cc[nH+]c1)NCCn1cc[nH+]c1 ZINC000442914110 530389221 /nfs/dbraw/zinc/38/92/21/530389221.db2.gz SWIUTBDHJKHRON-UHFFFAOYSA-N 2 2 390.491 -0.991 20 0 GBADLP COCCNc1nc(N2CC[NH+](C)C[C@H]2C)nc(N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000443441829 1073295815 /nfs/dbraw/zinc/29/58/15/1073295815.db2.gz KWFQBIOCOFNRSE-GASCZTMLSA-N 2 2 378.525 -0.368 20 0 GBADLP COCCNc1nc(N2CC[N@@H+](C)C[C@H]2C)nc(N2CC[NH+](C)C[C@@H]2C)n1 ZINC000443441829 1073295791 /nfs/dbraw/zinc/29/57/91/1073295791.db2.gz KWFQBIOCOFNRSE-GASCZTMLSA-N 2 2 378.525 -0.368 20 0 GBADLP COCCNc1nc(N2CC[N@H+](C)C[C@H]2C)nc(N2CC[NH+](C)C[C@@H]2C)n1 ZINC000443441829 1073295781 /nfs/dbraw/zinc/29/57/81/1073295781.db2.gz KWFQBIOCOFNRSE-GASCZTMLSA-N 2 2 378.525 -0.368 20 0 GBADLP C[C@@H]1C[NH+](C)CCN1c1nc(N2CCOCC2)nc(N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000443443521 1073296088 /nfs/dbraw/zinc/29/60/88/1073296088.db2.gz NKXOAHFJVPXWPP-IYBDPMFKSA-N 2 2 390.536 -0.011 20 0 GBADLP C[C@@H]1C[N@@H+](C)CCN1c1nc(N2CCOCC2)nc(N2CC[NH+](C)C[C@@H]2C)n1 ZINC000443443521 1073296082 /nfs/dbraw/zinc/29/60/82/1073296082.db2.gz NKXOAHFJVPXWPP-IYBDPMFKSA-N 2 2 390.536 -0.011 20 0 GBADLP C[C@@H]1C[N@H+](C)CCN1c1nc(N2CCOCC2)nc(N2CC[NH+](C)C[C@@H]2C)n1 ZINC000443443521 1073296077 /nfs/dbraw/zinc/29/60/77/1073296077.db2.gz NKXOAHFJVPXWPP-IYBDPMFKSA-N 2 2 390.536 -0.011 20 0 GBADLP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000443921231 1073379615 /nfs/dbraw/zinc/37/96/15/1073379615.db2.gz RRNGEOWQJSTGSR-MRXNPFEDSA-N 2 2 380.493 0.136 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444054287 1073433758 /nfs/dbraw/zinc/43/37/58/1073433758.db2.gz XNSKTUSXQNOWPJ-HOTGVXAUSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444054287 1073433752 /nfs/dbraw/zinc/43/37/52/1073433752.db2.gz XNSKTUSXQNOWPJ-HOTGVXAUSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444054289 1073434017 /nfs/dbraw/zinc/43/40/17/1073434017.db2.gz XNSKTUSXQNOWPJ-HZPDHXFCSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444054289 1073434012 /nfs/dbraw/zinc/43/40/12/1073434012.db2.gz XNSKTUSXQNOWPJ-HZPDHXFCSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000444054291 1073433834 /nfs/dbraw/zinc/43/38/34/1073433834.db2.gz XNSKTUSXQNOWPJ-IYBDPMFKSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000444054291 1073433828 /nfs/dbraw/zinc/43/38/28/1073433828.db2.gz XNSKTUSXQNOWPJ-IYBDPMFKSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444054291 1073433824 /nfs/dbraw/zinc/43/38/24/1073433824.db2.gz XNSKTUSXQNOWPJ-IYBDPMFKSA-N 2 2 398.548 -0.406 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000444054291 1073433814 /nfs/dbraw/zinc/43/38/14/1073433814.db2.gz XNSKTUSXQNOWPJ-IYBDPMFKSA-N 2 2 398.548 -0.406 20 0 GBADLP Cc1cnc(NC[C@@H]2C[NH+](C)CCN2C)nc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000444084755 1073445814 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/nfs/dbraw/zinc/60/62/36/1073606236.db2.gz BJMHZBHVQPHQSA-MJEZEWASSA-N 2 2 394.516 -0.432 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@H+]1CCCOCC1 ZINC000446498813 1073610054 /nfs/dbraw/zinc/61/00/54/1073610054.db2.gz SLVFLEQEPQXXCY-UHFFFAOYSA-N 2 2 377.493 -0.380 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000446498813 1073610050 /nfs/dbraw/zinc/61/00/50/1073610050.db2.gz SLVFLEQEPQXXCY-UHFFFAOYSA-N 2 2 377.493 -0.380 20 0 GBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000446603361 1073613842 /nfs/dbraw/zinc/61/38/42/1073613842.db2.gz HUFCSWLSKAGYQY-DLBZAZTESA-N 2 2 396.532 -0.312 20 0 GBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000446603362 1073613642 /nfs/dbraw/zinc/61/36/42/1073613642.db2.gz HUFCSWLSKAGYQY-IAGOWNOFSA-N 2 2 396.532 -0.312 20 0 GBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000446603363 1073613921 /nfs/dbraw/zinc/61/39/21/1073613921.db2.gz HUFCSWLSKAGYQY-IRXDYDNUSA-N 2 2 396.532 -0.312 20 0 GBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000446603364 1073614070 /nfs/dbraw/zinc/61/40/70/1073614070.db2.gz HUFCSWLSKAGYQY-SJORKVTESA-N 2 2 396.532 -0.312 20 0 GBADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446743927 1073619598 /nfs/dbraw/zinc/61/95/98/1073619598.db2.gz HEBCZJHXFGGXCS-INIZCTEOSA-N 2 2 392.504 -0.046 20 0 GBADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446743927 1073619596 /nfs/dbraw/zinc/61/95/96/1073619596.db2.gz HEBCZJHXFGGXCS-INIZCTEOSA-N 2 2 392.504 -0.046 20 0 GBADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446743929 1073619564 /nfs/dbraw/zinc/61/95/64/1073619564.db2.gz HEBCZJHXFGGXCS-MRXNPFEDSA-N 2 2 392.504 -0.046 20 0 GBADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446743929 1073619559 /nfs/dbraw/zinc/61/95/59/1073619559.db2.gz HEBCZJHXFGGXCS-MRXNPFEDSA-N 2 2 392.504 -0.046 20 0 GBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+](C)C1CC1 ZINC000446776820 1073621729 /nfs/dbraw/zinc/62/17/29/1073621729.db2.gz MOHWSVLPEVMIRC-AWEZNQCLSA-N 2 2 378.477 -0.247 20 0 GBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+](C)C1CC1 ZINC000446776820 1073621725 /nfs/dbraw/zinc/62/17/25/1073621725.db2.gz MOHWSVLPEVMIRC-AWEZNQCLSA-N 2 2 378.477 -0.247 20 0 GBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+](C)C1CC1 ZINC000446776821 1073621956 /nfs/dbraw/zinc/62/19/56/1073621956.db2.gz MOHWSVLPEVMIRC-CQSZACIVSA-N 2 2 378.477 -0.247 20 0 GBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+](C)C1CC1 ZINC000446776821 1073621952 /nfs/dbraw/zinc/62/19/52/1073621952.db2.gz MOHWSVLPEVMIRC-CQSZACIVSA-N 2 2 378.477 -0.247 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000446780561 1073623640 /nfs/dbraw/zinc/62/36/40/1073623640.db2.gz LMIAOFAKXKKWFJ-AWEZNQCLSA-N 2 2 376.461 -0.493 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000446780561 1073623635 /nfs/dbraw/zinc/62/36/35/1073623635.db2.gz LMIAOFAKXKKWFJ-AWEZNQCLSA-N 2 2 376.461 -0.493 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000446780562 1073623949 /nfs/dbraw/zinc/62/39/49/1073623949.db2.gz LMIAOFAKXKKWFJ-CQSZACIVSA-N 2 2 376.461 -0.493 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000446780562 1073623946 /nfs/dbraw/zinc/62/39/46/1073623946.db2.gz LMIAOFAKXKKWFJ-CQSZACIVSA-N 2 2 376.461 -0.493 20 0 GBADLP C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446782771 1073623580 /nfs/dbraw/zinc/62/35/80/1073623580.db2.gz CWELYTAFYBCSDM-UHFFFAOYSA-N 2 2 392.504 0.002 20 0 GBADLP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446789177 1073621519 /nfs/dbraw/zinc/62/15/19/1073621519.db2.gz BZHMDQUSJXFBRK-UHFFFAOYSA-N 2 2 387.444 -0.801 20 0 GBADLP CO[C@H](C[NH3+])CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447438392 1073646873 /nfs/dbraw/zinc/64/68/73/1073646873.db2.gz FHEYXIKYSHMMEZ-AWEZNQCLSA-N 2 2 385.490 -0.987 20 0 GBADLP CO[C@@H](C[NH3+])CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447438395 1073646849 /nfs/dbraw/zinc/64/68/49/1073646849.db2.gz FHEYXIKYSHMMEZ-CQSZACIVSA-N 2 2 385.490 -0.987 20 0 GBADLP CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000447787912 530398139 /nfs/dbraw/zinc/39/81/39/530398139.db2.gz PFKWLAQUQRACMQ-UHFFFAOYSA-N 2 2 398.595 -0.445 20 0 GBADLP CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000447787912 530398138 /nfs/dbraw/zinc/39/81/38/530398138.db2.gz PFKWLAQUQRACMQ-UHFFFAOYSA-N 2 2 398.595 -0.445 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447903737 1073666900 /nfs/dbraw/zinc/66/69/00/1073666900.db2.gz ICGZDJAXXDJZIU-CABCVRRESA-N 2 2 389.460 -0.859 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447903738 1073666983 /nfs/dbraw/zinc/66/69/83/1073666983.db2.gz ICGZDJAXXDJZIU-GJZGRUSLSA-N 2 2 389.460 -0.859 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H](CO)[C@H]2CCCO2)CC1 ZINC000447903739 1073666615 /nfs/dbraw/zinc/66/66/15/1073666615.db2.gz ICGZDJAXXDJZIU-HUUCEWRRSA-N 2 2 389.460 -0.859 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447903740 1073666843 /nfs/dbraw/zinc/66/68/43/1073666843.db2.gz ICGZDJAXXDJZIU-LSDHHAIUSA-N 2 2 389.460 -0.859 20 0 GBADLP O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448476375 1073694143 /nfs/dbraw/zinc/69/41/43/1073694143.db2.gz AQGBVKLYCNRVEY-UHFFFAOYSA-N 2 2 392.504 0.146 20 0 GBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000448479272 1073694388 /nfs/dbraw/zinc/69/43/88/1073694388.db2.gz SVYJGRLKRVCZJH-MRXNPFEDSA-N 2 2 392.504 0.002 20 0 GBADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000448479272 1073694383 /nfs/dbraw/zinc/69/43/83/1073694383.db2.gz SVYJGRLKRVCZJH-MRXNPFEDSA-N 2 2 392.504 0.002 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000448486823 1073693306 /nfs/dbraw/zinc/69/33/06/1073693306.db2.gz ZUHRKQXUMOMHLL-DLBZAZTESA-N 2 2 390.488 -0.103 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000448486823 1073693301 /nfs/dbraw/zinc/69/33/01/1073693301.db2.gz ZUHRKQXUMOMHLL-DLBZAZTESA-N 2 2 390.488 -0.103 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000448486824 1073693316 /nfs/dbraw/zinc/69/33/16/1073693316.db2.gz ZUHRKQXUMOMHLL-IAGOWNOFSA-N 2 2 390.488 -0.103 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000448486824 1073693315 /nfs/dbraw/zinc/69/33/15/1073693315.db2.gz ZUHRKQXUMOMHLL-IAGOWNOFSA-N 2 2 390.488 -0.103 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000448486825 1073694369 /nfs/dbraw/zinc/69/43/69/1073694369.db2.gz ZUHRKQXUMOMHLL-IRXDYDNUSA-N 2 2 390.488 -0.103 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000448486825 1073694365 /nfs/dbraw/zinc/69/43/65/1073694365.db2.gz ZUHRKQXUMOMHLL-IRXDYDNUSA-N 2 2 390.488 -0.103 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000448486826 1073694434 /nfs/dbraw/zinc/69/44/34/1073694434.db2.gz ZUHRKQXUMOMHLL-SJORKVTESA-N 2 2 390.488 -0.103 20 0 GBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000448486826 1073694432 /nfs/dbraw/zinc/69/44/32/1073694432.db2.gz ZUHRKQXUMOMHLL-SJORKVTESA-N 2 2 390.488 -0.103 20 0 GBADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448491176 1073694469 /nfs/dbraw/zinc/69/44/69/1073694469.db2.gz SQAHKKGVNWGLQN-OAHLLOKOSA-N 2 2 380.493 0.000 20 0 GBADLP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448505769 1073695898 /nfs/dbraw/zinc/69/58/98/1073695898.db2.gz QDURDJOYHNZBJA-UHFFFAOYSA-N 2 2 392.504 -0.046 20 0 GBADLP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000448507715 1073696274 /nfs/dbraw/zinc/69/62/74/1073696274.db2.gz KTEYYRBQVHATHA-UHFFFAOYSA-N 2 2 392.504 -0.046 20 0 GBADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000448532224 1073696889 /nfs/dbraw/zinc/69/68/89/1073696889.db2.gz XUYFKPGSSFLVJR-GJZGRUSLSA-N 2 2 394.520 0.387 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCN(C)CC1 ZINC000448532242 1073697401 /nfs/dbraw/zinc/69/74/01/1073697401.db2.gz YAPCQATZWUFWOA-INIZCTEOSA-N 2 2 393.536 -0.229 20 0 GBADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000448533032 1073696982 /nfs/dbraw/zinc/69/69/82/1073696982.db2.gz RNBXRRXLAKEZFU-UHFFFAOYSA-N 2 2 392.504 0.144 20 0 GBADLP O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448535320 1073698519 /nfs/dbraw/zinc/69/85/19/1073698519.db2.gz RYIGQNRDDRTHDK-UHFFFAOYSA-N 2 2 378.477 -0.244 20 0 GBADLP CC1[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000449079330 1073711487 /nfs/dbraw/zinc/71/14/87/1073711487.db2.gz YBQMXCGMYRJXNI-QZTJIDSGSA-N 2 2 396.532 -0.455 20 0 GBADLP CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450353913 1073737912 /nfs/dbraw/zinc/73/79/12/1073737912.db2.gz HXOVWIACOBUUIG-CVEARBPZSA-N 2 2 389.566 -0.164 20 0 GBADLP CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450353913 1073737905 /nfs/dbraw/zinc/73/79/05/1073737905.db2.gz HXOVWIACOBUUIG-CVEARBPZSA-N 2 2 389.566 -0.164 20 0 GBADLP CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450353914 1073737832 /nfs/dbraw/zinc/73/78/32/1073737832.db2.gz HXOVWIACOBUUIG-HOTGVXAUSA-N 2 2 389.566 -0.164 20 0 GBADLP CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450353914 1073737830 /nfs/dbraw/zinc/73/78/30/1073737830.db2.gz HXOVWIACOBUUIG-HOTGVXAUSA-N 2 2 389.566 -0.164 20 0 GBADLP CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450353915 1073738293 /nfs/dbraw/zinc/73/82/93/1073738293.db2.gz HXOVWIACOBUUIG-HZPDHXFCSA-N 2 2 389.566 -0.164 20 0 GBADLP CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450353915 1073738286 /nfs/dbraw/zinc/73/82/86/1073738286.db2.gz HXOVWIACOBUUIG-HZPDHXFCSA-N 2 2 389.566 -0.164 20 0 GBADLP CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450353916 1073737803 /nfs/dbraw/zinc/73/78/03/1073737803.db2.gz HXOVWIACOBUUIG-JKSUJKDBSA-N 2 2 389.566 -0.164 20 0 GBADLP CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450353916 1073737794 /nfs/dbraw/zinc/73/77/94/1073737794.db2.gz HXOVWIACOBUUIG-JKSUJKDBSA-N 2 2 389.566 -0.164 20 0 GBADLP Cc1cnc(N2CC[NH+](CCO)C[C@H]2C)nc1N1CC[N@@H+](CCO)C[C@@H]1C ZINC000450950250 1073761217 /nfs/dbraw/zinc/76/12/17/1073761217.db2.gz CJNGDPQJVHEECY-DLBZAZTESA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[NH+](CCO)C[C@H]2C)nc1N1CC[N@H+](CCO)C[C@@H]1C ZINC000450950250 1073761209 /nfs/dbraw/zinc/76/12/09/1073761209.db2.gz CJNGDPQJVHEECY-DLBZAZTESA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[N@H+](CCO)C[C@H]2C)nc1N1CC[NH+](CCO)C[C@@H]1C ZINC000450950250 1073761199 /nfs/dbraw/zinc/76/11/99/1073761199.db2.gz CJNGDPQJVHEECY-DLBZAZTESA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[N@@H+](CCO)C[C@H]2C)nc1N1CC[NH+](CCO)C[C@@H]1C ZINC000450950250 1073761189 /nfs/dbraw/zinc/76/11/89/1073761189.db2.gz CJNGDPQJVHEECY-DLBZAZTESA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[NH+](CCO)C[C@H]2C)nc1N1CC[N@@H+](CCO)C[C@H]1C ZINC000450950251 1073761483 /nfs/dbraw/zinc/76/14/83/1073761483.db2.gz CJNGDPQJVHEECY-IAGOWNOFSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[NH+](CCO)C[C@H]2C)nc1N1CC[N@H+](CCO)C[C@H]1C ZINC000450950251 1073761478 /nfs/dbraw/zinc/76/14/78/1073761478.db2.gz CJNGDPQJVHEECY-IAGOWNOFSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[N@H+](CCO)C[C@H]2C)nc1N1CC[NH+](CCO)C[C@H]1C ZINC000450950251 1073761471 /nfs/dbraw/zinc/76/14/71/1073761471.db2.gz CJNGDPQJVHEECY-IAGOWNOFSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[N@@H+](CCO)C[C@H]2C)nc1N1CC[NH+](CCO)C[C@H]1C ZINC000450950251 1073761466 /nfs/dbraw/zinc/76/14/66/1073761466.db2.gz CJNGDPQJVHEECY-IAGOWNOFSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[NH+](CCO)C[C@@H]2C)nc1N1CC[N@@H+](CCO)C[C@@H]1C ZINC000450950252 1073761588 /nfs/dbraw/zinc/76/15/88/1073761588.db2.gz CJNGDPQJVHEECY-IRXDYDNUSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[NH+](CCO)C[C@@H]2C)nc1N1CC[N@H+](CCO)C[C@@H]1C ZINC000450950252 1073761583 /nfs/dbraw/zinc/76/15/83/1073761583.db2.gz CJNGDPQJVHEECY-IRXDYDNUSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[N@H+](CCO)C[C@@H]2C)nc1N1CC[NH+](CCO)C[C@@H]1C ZINC000450950252 1073761580 /nfs/dbraw/zinc/76/15/80/1073761580.db2.gz CJNGDPQJVHEECY-IRXDYDNUSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[N@@H+](CCO)C[C@@H]2C)nc1N1CC[NH+](CCO)C[C@@H]1C ZINC000450950252 1073761576 /nfs/dbraw/zinc/76/15/76/1073761576.db2.gz CJNGDPQJVHEECY-IRXDYDNUSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[NH+](CCO)C[C@@H]2C)nc1N1CC[N@@H+](CCO)C[C@H]1C ZINC000450950253 1073761431 /nfs/dbraw/zinc/76/14/31/1073761431.db2.gz CJNGDPQJVHEECY-SJORKVTESA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[NH+](CCO)C[C@@H]2C)nc1N1CC[N@H+](CCO)C[C@H]1C ZINC000450950253 1073761419 /nfs/dbraw/zinc/76/14/19/1073761419.db2.gz CJNGDPQJVHEECY-SJORKVTESA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[N@H+](CCO)C[C@@H]2C)nc1N1CC[NH+](CCO)C[C@H]1C ZINC000450950253 1073761407 /nfs/dbraw/zinc/76/14/07/1073761407.db2.gz CJNGDPQJVHEECY-SJORKVTESA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1cnc(N2CC[N@@H+](CCO)C[C@@H]2C)nc1N1CC[NH+](CCO)C[C@H]1C ZINC000450950253 1073761397 /nfs/dbraw/zinc/76/13/97/1073761397.db2.gz CJNGDPQJVHEECY-SJORKVTESA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1nc(N2CC[N@@H+](CCO)C[C@H]2C)nc(N2CC[NH+](CCO)C[C@@H]2C)n1 ZINC000450952903 1073761733 /nfs/dbraw/zinc/76/17/33/1073761733.db2.gz JHOQBWAMMMLFSM-GASCZTMLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[N@H+](CCO)C[C@H]2C)nc(N2CC[NH+](CCO)C[C@@H]2C)n1 ZINC000450952903 1073761720 /nfs/dbraw/zinc/76/17/20/1073761720.db2.gz JHOQBWAMMMLFSM-GASCZTMLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@H+](CCO)C[C@@H]2C)n1 ZINC000450952903 1073761704 /nfs/dbraw/zinc/76/17/04/1073761704.db2.gz JHOQBWAMMMLFSM-GASCZTMLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@@H+](CCO)C[C@@H]2C)n1 ZINC000450952903 1073761696 /nfs/dbraw/zinc/76/16/96/1073761696.db2.gz JHOQBWAMMMLFSM-GASCZTMLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)C[C@@H]2C)nc(N2CC[N@H+](CCO)C[C@@H]2C)n1 ZINC000450952904 1073761076 /nfs/dbraw/zinc/76/10/76/1073761076.db2.gz JHOQBWAMMMLFSM-GJZGRUSLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)C[C@@H]2C)nc(N2CC[N@@H+](CCO)C[C@@H]2C)n1 ZINC000450952904 1073761067 /nfs/dbraw/zinc/76/10/67/1073761067.db2.gz JHOQBWAMMMLFSM-GJZGRUSLSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@H+](CCO)C[C@H]2C)n1 ZINC000450952905 1073761307 /nfs/dbraw/zinc/76/13/07/1073761307.db2.gz JHOQBWAMMMLFSM-HUUCEWRRSA-N 2 2 379.509 -0.814 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@@H+](CCO)C[C@H]2C)n1 ZINC000450952905 1073761299 /nfs/dbraw/zinc/76/12/99/1073761299.db2.gz JHOQBWAMMMLFSM-HUUCEWRRSA-N 2 2 379.509 -0.814 20 0 GBADLP CCOC(=O)[C@H]1C[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC12COC2 ZINC000451122844 1073766025 /nfs/dbraw/zinc/76/60/25/1073766025.db2.gz AJJDSNZEECCWKP-DLBZAZTESA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@H]1C[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC12COC2 ZINC000451122844 1073766016 /nfs/dbraw/zinc/76/60/16/1073766016.db2.gz AJJDSNZEECCWKP-DLBZAZTESA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC12COC2 ZINC000451122844 1073766002 /nfs/dbraw/zinc/76/60/02/1073766002.db2.gz AJJDSNZEECCWKP-DLBZAZTESA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@H]1C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC12COC2 ZINC000451122844 1073765989 /nfs/dbraw/zinc/76/59/89/1073765989.db2.gz AJJDSNZEECCWKP-DLBZAZTESA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@H]1C[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC12COC2 ZINC000451122845 1073766408 /nfs/dbraw/zinc/76/64/08/1073766408.db2.gz AJJDSNZEECCWKP-IAGOWNOFSA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@H]1C[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC12COC2 ZINC000451122845 1073766404 /nfs/dbraw/zinc/76/64/04/1073766404.db2.gz AJJDSNZEECCWKP-IAGOWNOFSA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC12COC2 ZINC000451122845 1073766400 /nfs/dbraw/zinc/76/64/00/1073766400.db2.gz AJJDSNZEECCWKP-IAGOWNOFSA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@H]1C[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC12COC2 ZINC000451122845 1073766395 /nfs/dbraw/zinc/76/63/95/1073766395.db2.gz AJJDSNZEECCWKP-IAGOWNOFSA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@@H]1C[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC12COC2 ZINC000451122846 1073766262 /nfs/dbraw/zinc/76/62/62/1073766262.db2.gz AJJDSNZEECCWKP-IRXDYDNUSA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@@H]1C[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC12COC2 ZINC000451122846 1073766255 /nfs/dbraw/zinc/76/62/55/1073766255.db2.gz AJJDSNZEECCWKP-IRXDYDNUSA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC12COC2 ZINC000451122846 1073766244 /nfs/dbraw/zinc/76/62/44/1073766244.db2.gz AJJDSNZEECCWKP-IRXDYDNUSA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC12COC2 ZINC000451122846 1073766238 /nfs/dbraw/zinc/76/62/38/1073766238.db2.gz AJJDSNZEECCWKP-IRXDYDNUSA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@@H]1C[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC12COC2 ZINC000451122847 1073766383 /nfs/dbraw/zinc/76/63/83/1073766383.db2.gz AJJDSNZEECCWKP-SJORKVTESA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@@H]1C[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC12COC2 ZINC000451122847 1073766380 /nfs/dbraw/zinc/76/63/80/1073766380.db2.gz AJJDSNZEECCWKP-SJORKVTESA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC12COC2 ZINC000451122847 1073766377 /nfs/dbraw/zinc/76/63/77/1073766377.db2.gz AJJDSNZEECCWKP-SJORKVTESA-N 2 2 397.516 -0.029 20 0 GBADLP CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC12COC2 ZINC000451122847 1073766373 /nfs/dbraw/zinc/76/63/73/1073766373.db2.gz AJJDSNZEECCWKP-SJORKVTESA-N 2 2 397.516 -0.029 20 0 GBADLP C[NH+](CC1(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)COC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451136722 1073767329 /nfs/dbraw/zinc/76/73/29/1073767329.db2.gz HBGABJXTWOUEMB-MUGJNUQGSA-N 2 2 394.560 -0.187 20 0 GBADLP C[NH+](CC1(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)COC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451136722 1073767323 /nfs/dbraw/zinc/76/73/23/1073767323.db2.gz HBGABJXTWOUEMB-MUGJNUQGSA-N 2 2 394.560 -0.187 20 0 GBADLP C[NH+](CC1(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)COC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451136724 1073767461 /nfs/dbraw/zinc/76/74/61/1073767461.db2.gz HBGABJXTWOUEMB-ZRNYENFQSA-N 2 2 394.560 -0.187 20 0 GBADLP C[NH+](CC1(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)COC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451136724 1073767450 /nfs/dbraw/zinc/76/74/50/1073767450.db2.gz HBGABJXTWOUEMB-ZRNYENFQSA-N 2 2 394.560 -0.187 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452161793 1073792333 /nfs/dbraw/zinc/79/23/33/1073792333.db2.gz GQQPSVSDCSFZSZ-IKGGRYGDSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC[C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452161793 1073792328 /nfs/dbraw/zinc/79/23/28/1073792328.db2.gz GQQPSVSDCSFZSZ-IKGGRYGDSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)CCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452161793 1073792321 /nfs/dbraw/zinc/79/23/21/1073792321.db2.gz GQQPSVSDCSFZSZ-IKGGRYGDSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)CCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452161793 1073792313 /nfs/dbraw/zinc/79/23/13/1073792313.db2.gz GQQPSVSDCSFZSZ-IKGGRYGDSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000452161794 1073792106 /nfs/dbraw/zinc/79/21/06/1073792106.db2.gz GQQPSVSDCSFZSZ-IXDOHACOSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC[C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000452161794 1073792100 /nfs/dbraw/zinc/79/21/00/1073792100.db2.gz GQQPSVSDCSFZSZ-IXDOHACOSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)CCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452161794 1073792094 /nfs/dbraw/zinc/79/20/94/1073792094.db2.gz GQQPSVSDCSFZSZ-IXDOHACOSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)CCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452161794 1073792088 /nfs/dbraw/zinc/79/20/88/1073792088.db2.gz GQQPSVSDCSFZSZ-IXDOHACOSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452161795 1073793143 /nfs/dbraw/zinc/79/31/43/1073793143.db2.gz GQQPSVSDCSFZSZ-ULQDDVLXSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC[C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452161795 1073793134 /nfs/dbraw/zinc/79/31/34/1073793134.db2.gz GQQPSVSDCSFZSZ-ULQDDVLXSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)CCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452161795 1073793126 /nfs/dbraw/zinc/79/31/26/1073793126.db2.gz GQQPSVSDCSFZSZ-ULQDDVLXSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)CCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452161795 1073793121 /nfs/dbraw/zinc/79/31/21/1073793121.db2.gz GQQPSVSDCSFZSZ-ULQDDVLXSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC[C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000452161796 1073793318 /nfs/dbraw/zinc/79/33/18/1073793318.db2.gz GQQPSVSDCSFZSZ-YESZJQIVSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC[C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000452161796 1073793317 /nfs/dbraw/zinc/79/33/17/1073793317.db2.gz GQQPSVSDCSFZSZ-YESZJQIVSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452161796 1073793313 /nfs/dbraw/zinc/79/33/13/1073793313.db2.gz GQQPSVSDCSFZSZ-YESZJQIVSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452161796 1073793310 /nfs/dbraw/zinc/79/33/10/1073793310.db2.gz GQQPSVSDCSFZSZ-YESZJQIVSA-N 2 2 384.521 -0.171 20 0 GBADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452352663 1073796403 /nfs/dbraw/zinc/79/64/03/1073796403.db2.gz SLMCXNPPVZIVMK-DLBZAZTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452352663 1073796385 /nfs/dbraw/zinc/79/63/85/1073796385.db2.gz SLMCXNPPVZIVMK-DLBZAZTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452352664 1073796525 /nfs/dbraw/zinc/79/65/25/1073796525.db2.gz SLMCXNPPVZIVMK-IAGOWNOFSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452352664 1073796515 /nfs/dbraw/zinc/79/65/15/1073796515.db2.gz SLMCXNPPVZIVMK-IAGOWNOFSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452352665 1073796448 /nfs/dbraw/zinc/79/64/48/1073796448.db2.gz SLMCXNPPVZIVMK-IRXDYDNUSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452352665 1073796437 /nfs/dbraw/zinc/79/64/37/1073796437.db2.gz SLMCXNPPVZIVMK-IRXDYDNUSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452352666 1073796764 /nfs/dbraw/zinc/79/67/64/1073796764.db2.gz SLMCXNPPVZIVMK-SJORKVTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452352666 1073796760 /nfs/dbraw/zinc/79/67/60/1073796760.db2.gz SLMCXNPPVZIVMK-SJORKVTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452378090 1073798898 /nfs/dbraw/zinc/79/88/98/1073798898.db2.gz VAZXZHSKHKIMIG-DLBZAZTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452378090 1073798894 /nfs/dbraw/zinc/79/88/94/1073798894.db2.gz VAZXZHSKHKIMIG-DLBZAZTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452378091 1073799026 /nfs/dbraw/zinc/79/90/26/1073799026.db2.gz VAZXZHSKHKIMIG-IAGOWNOFSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452378091 1073799023 /nfs/dbraw/zinc/79/90/23/1073799023.db2.gz VAZXZHSKHKIMIG-IAGOWNOFSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452378092 1073798265 /nfs/dbraw/zinc/79/82/65/1073798265.db2.gz VAZXZHSKHKIMIG-IRXDYDNUSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452378092 1073798259 /nfs/dbraw/zinc/79/82/59/1073798259.db2.gz VAZXZHSKHKIMIG-IRXDYDNUSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452378094 1073798808 /nfs/dbraw/zinc/79/88/08/1073798808.db2.gz VAZXZHSKHKIMIG-SJORKVTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452378094 1073798802 /nfs/dbraw/zinc/79/88/02/1073798802.db2.gz VAZXZHSKHKIMIG-SJORKVTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452393767 1073798577 /nfs/dbraw/zinc/79/85/77/1073798577.db2.gz UBVRGRGOCLDMIU-DLBZAZTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452393767 1073798569 /nfs/dbraw/zinc/79/85/69/1073798569.db2.gz UBVRGRGOCLDMIU-DLBZAZTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452393768 1073798997 /nfs/dbraw/zinc/79/89/97/1073798997.db2.gz UBVRGRGOCLDMIU-IAGOWNOFSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452393768 1073798992 /nfs/dbraw/zinc/79/89/92/1073798992.db2.gz UBVRGRGOCLDMIU-IAGOWNOFSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452393769 1073798914 /nfs/dbraw/zinc/79/89/14/1073798914.db2.gz UBVRGRGOCLDMIU-IRXDYDNUSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452393769 1073798910 /nfs/dbraw/zinc/79/89/10/1073798910.db2.gz UBVRGRGOCLDMIU-IRXDYDNUSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452393770 1073798179 /nfs/dbraw/zinc/79/81/79/1073798179.db2.gz UBVRGRGOCLDMIU-SJORKVTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000452393770 1073798173 /nfs/dbraw/zinc/79/81/73/1073798173.db2.gz UBVRGRGOCLDMIU-SJORKVTESA-N 2 2 382.505 -0.870 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NCCC(C)(C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452565525 1073803903 /nfs/dbraw/zinc/80/39/03/1073803903.db2.gz HZZTYTZGCLJUOS-CVEARBPZSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NCCC(C)(C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452565525 1073803898 /nfs/dbraw/zinc/80/38/98/1073803898.db2.gz HZZTYTZGCLJUOS-CVEARBPZSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC(C)(C)CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000452565525 1073803886 /nfs/dbraw/zinc/80/38/86/1073803886.db2.gz HZZTYTZGCLJUOS-CVEARBPZSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC(C)(C)CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000452565525 1073803871 /nfs/dbraw/zinc/80/38/71/1073803871.db2.gz HZZTYTZGCLJUOS-CVEARBPZSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC(C)(C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452565526 1073804117 /nfs/dbraw/zinc/80/41/17/1073804117.db2.gz HZZTYTZGCLJUOS-HOTGVXAUSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC(C)(C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452565526 1073804105 /nfs/dbraw/zinc/80/41/05/1073804105.db2.gz HZZTYTZGCLJUOS-HOTGVXAUSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC(C)(C)CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452565526 1073804092 /nfs/dbraw/zinc/80/40/92/1073804092.db2.gz HZZTYTZGCLJUOS-HOTGVXAUSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NC(C)(C)CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452565526 1073804078 /nfs/dbraw/zinc/80/40/78/1073804078.db2.gz HZZTYTZGCLJUOS-HOTGVXAUSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NCCC(C)(C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000452565527 1073804779 /nfs/dbraw/zinc/80/47/79/1073804779.db2.gz HZZTYTZGCLJUOS-HZPDHXFCSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NCCC(C)(C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000452565527 1073804768 /nfs/dbraw/zinc/80/47/68/1073804768.db2.gz HZZTYTZGCLJUOS-HZPDHXFCSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NC(C)(C)CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000452565527 1073804756 /nfs/dbraw/zinc/80/47/56/1073804756.db2.gz HZZTYTZGCLJUOS-HZPDHXFCSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NC(C)(C)CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000452565527 1073804740 /nfs/dbraw/zinc/80/47/40/1073804740.db2.gz HZZTYTZGCLJUOS-HZPDHXFCSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC(C)(C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000452565528 1073804450 /nfs/dbraw/zinc/80/44/50/1073804450.db2.gz HZZTYTZGCLJUOS-JKSUJKDBSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)NCCC(C)(C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000452565528 1073804441 /nfs/dbraw/zinc/80/44/41/1073804441.db2.gz HZZTYTZGCLJUOS-JKSUJKDBSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NC(C)(C)CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000452565528 1073804430 /nfs/dbraw/zinc/80/44/30/1073804430.db2.gz HZZTYTZGCLJUOS-JKSUJKDBSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)NC(C)(C)CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000452565528 1073804418 /nfs/dbraw/zinc/80/44/18/1073804418.db2.gz HZZTYTZGCLJUOS-JKSUJKDBSA-N 2 2 384.521 -0.171 20 0 GBADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000454008664 1073922054 /nfs/dbraw/zinc/92/20/54/1073922054.db2.gz WSQNSRBYVVRQDN-INIZCTEOSA-N 2 2 392.504 0.097 20 0 GBADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000454008665 1073922425 /nfs/dbraw/zinc/92/24/25/1073922425.db2.gz WSQNSRBYVVRQDN-MRXNPFEDSA-N 2 2 392.504 0.097 20 0 GBADLP C[C@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000462736828 530409613 /nfs/dbraw/zinc/40/96/13/530409613.db2.gz HZSAHZQEDSQXMI-AWEZNQCLSA-N 2 2 375.539 -0.312 20 0 GBADLP C[C@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000462736828 530409610 /nfs/dbraw/zinc/40/96/10/530409610.db2.gz HZSAHZQEDSQXMI-AWEZNQCLSA-N 2 2 375.539 -0.312 20 0 GBADLP C[C@@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000462736829 530409652 /nfs/dbraw/zinc/40/96/52/530409652.db2.gz HZSAHZQEDSQXMI-CQSZACIVSA-N 2 2 375.539 -0.312 20 0 GBADLP C[C@@H]1CN(C(=O)NCCS(=O)(=O)N(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000462736829 530409650 /nfs/dbraw/zinc/40/96/50/530409650.db2.gz HZSAHZQEDSQXMI-CQSZACIVSA-N 2 2 375.539 -0.312 20 0 GBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463354826 530410087 /nfs/dbraw/zinc/41/00/87/530410087.db2.gz QSHHYCVUUZNDEK-HNNXBMFYSA-N 2 2 376.523 -0.785 20 0 GBADLP NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463354826 530410084 /nfs/dbraw/zinc/41/00/84/530410084.db2.gz QSHHYCVUUZNDEK-HNNXBMFYSA-N 2 2 376.523 -0.785 20 0 GBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463354827 530188274 /nfs/dbraw/zinc/18/82/74/530188274.db2.gz QSHHYCVUUZNDEK-OAHLLOKOSA-N 2 2 376.523 -0.785 20 0 GBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463354827 530188272 /nfs/dbraw/zinc/18/82/72/530188272.db2.gz QSHHYCVUUZNDEK-OAHLLOKOSA-N 2 2 376.523 -0.785 20 0 GBADLP CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463418104 530410480 /nfs/dbraw/zinc/41/04/80/530410480.db2.gz XWYRYBRJPWRPQX-KRWDZBQOSA-N 2 2 376.567 -0.098 20 0 GBADLP CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463418106 530410306 /nfs/dbraw/zinc/41/03/06/530410306.db2.gz XWYRYBRJPWRPQX-QGZVFWFLSA-N 2 2 376.567 -0.098 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463843916 530410554 /nfs/dbraw/zinc/41/05/54/530410554.db2.gz GSHRWQCIJJSVAS-UHFFFAOYSA-N 2 2 376.523 -0.866 20 0 GBADLP CCOCCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466324840 530411733 /nfs/dbraw/zinc/41/17/33/530411733.db2.gz IHAIMIBDYDXZNA-UHFFFAOYSA-N 2 2 378.539 -0.573 20 0 GBADLP CCOCCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000466324840 530411731 /nfs/dbraw/zinc/41/17/31/530411731.db2.gz IHAIMIBDYDXZNA-UHFFFAOYSA-N 2 2 378.539 -0.573 20 0 GBADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000467173008 1072882000 /nfs/dbraw/zinc/88/20/00/1072882000.db2.gz ZZIXDSVIVJAXOY-UHFFFAOYSA-N 2 2 395.504 -0.328 20 0 GBADLP COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000467251329 1073493867 /nfs/dbraw/zinc/49/38/67/1073493867.db2.gz PCKCOPBOFVRHGN-CVEARBPZSA-N 2 2 380.489 -0.508 20 0 GBADLP CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000471219640 530416958 /nfs/dbraw/zinc/41/69/58/530416958.db2.gz SOAKJZJXFBUWLB-OAHLLOKOSA-N 2 2 375.539 -0.791 20 0 GBADLP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000471230273 1072238595 /nfs/dbraw/zinc/23/85/95/1072238595.db2.gz NUIWXGGTXHUUFO-UHFFFAOYSA-N 2 2 380.493 -0.046 20 0 GBADLP CC(C)(O)C[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000471552620 1072442015 /nfs/dbraw/zinc/44/20/15/1072442015.db2.gz VCXBXDGAGBEFNH-UHFFFAOYSA-N 2 2 385.553 -0.525 20 0 GBADLP CC(C)(O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000471552620 1072442010 /nfs/dbraw/zinc/44/20/10/1072442010.db2.gz VCXBXDGAGBEFNH-UHFFFAOYSA-N 2 2 385.553 -0.525 20 0 GBADLP C[NH+](C)CCOCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000471653258 1072583632 /nfs/dbraw/zinc/58/36/32/1072583632.db2.gz NMKZLJOETAKXOZ-UHFFFAOYSA-N 2 2 392.504 -0.002 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471659075 1072585613 /nfs/dbraw/zinc/58/56/13/1072585613.db2.gz PAJNESGZGRKPEZ-UHFFFAOYSA-N 2 2 376.465 -0.227 20 0 GBADLP CC(C)OCC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472155292 530417349 /nfs/dbraw/zinc/41/73/49/530417349.db2.gz KNXAPEZUBGKXGJ-INIZCTEOSA-N 2 2 378.539 -0.728 20 0 GBADLP CC(C)OCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472155296 530417392 /nfs/dbraw/zinc/41/73/92/530417392.db2.gz KNXAPEZUBGKXGJ-MRXNPFEDSA-N 2 2 378.539 -0.728 20 0 GBADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280503 1072432578 /nfs/dbraw/zinc/43/25/78/1072432578.db2.gz YEZSJOPNWCGVNM-KBPBESRZSA-N 2 2 395.504 -0.330 20 0 GBADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280503 1072432574 /nfs/dbraw/zinc/43/25/74/1072432574.db2.gz YEZSJOPNWCGVNM-KBPBESRZSA-N 2 2 395.504 -0.330 20 0 GBADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280507 1072432551 /nfs/dbraw/zinc/43/25/51/1072432551.db2.gz YEZSJOPNWCGVNM-KGLIPLIRSA-N 2 2 395.504 -0.330 20 0 GBADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280507 1072432547 /nfs/dbraw/zinc/43/25/47/1072432547.db2.gz YEZSJOPNWCGVNM-KGLIPLIRSA-N 2 2 395.504 -0.330 20 0 GBADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280509 1072432502 /nfs/dbraw/zinc/43/25/02/1072432502.db2.gz YEZSJOPNWCGVNM-UONOGXRCSA-N 2 2 395.504 -0.330 20 0 GBADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280509 1072432498 /nfs/dbraw/zinc/43/24/98/1072432498.db2.gz YEZSJOPNWCGVNM-UONOGXRCSA-N 2 2 395.504 -0.330 20 0 GBADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280511 1072432201 /nfs/dbraw/zinc/43/22/01/1072432201.db2.gz YEZSJOPNWCGVNM-ZIAGYGMSSA-N 2 2 395.504 -0.330 20 0 GBADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280511 1072432192 /nfs/dbraw/zinc/43/21/92/1072432192.db2.gz YEZSJOPNWCGVNM-ZIAGYGMSSA-N 2 2 395.504 -0.330 20 0 GBADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472287837 1072464778 /nfs/dbraw/zinc/46/47/78/1072464778.db2.gz PCCHPZMJLXMGKR-CYBMUJFWSA-N 2 2 381.477 -0.718 20 0 GBADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472287837 1072464770 /nfs/dbraw/zinc/46/47/70/1072464770.db2.gz PCCHPZMJLXMGKR-CYBMUJFWSA-N 2 2 381.477 -0.718 20 0 GBADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472287838 1072465159 /nfs/dbraw/zinc/46/51/59/1072465159.db2.gz PCCHPZMJLXMGKR-ZDUSSCGKSA-N 2 2 381.477 -0.718 20 0 GBADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472287838 1072465156 /nfs/dbraw/zinc/46/51/56/1072465156.db2.gz PCCHPZMJLXMGKR-ZDUSSCGKSA-N 2 2 381.477 -0.718 20 0 GBADLP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000472403722 1072783628 /nfs/dbraw/zinc/78/36/28/1072783628.db2.gz FBWIUJADWUJACT-KRWDZBQOSA-N 2 2 396.532 -0.481 20 0 GBADLP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000472403741 1072784229 /nfs/dbraw/zinc/78/42/29/1072784229.db2.gz FBWIUJADWUJACT-QGZVFWFLSA-N 2 2 396.532 -0.481 20 0 GBADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000472905334 1073224048 /nfs/dbraw/zinc/22/40/48/1073224048.db2.gz VWCASRLMQAHRLU-INIZCTEOSA-N 2 2 382.553 -0.136 20 0 GBADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000472905334 1073224042 /nfs/dbraw/zinc/22/40/42/1073224042.db2.gz VWCASRLMQAHRLU-INIZCTEOSA-N 2 2 382.553 -0.136 20 0 GBADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000472905340 1073224817 /nfs/dbraw/zinc/22/48/17/1073224817.db2.gz VWCASRLMQAHRLU-MRXNPFEDSA-N 2 2 382.553 -0.136 20 0 GBADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000472905340 1073224812 /nfs/dbraw/zinc/22/48/12/1073224812.db2.gz VWCASRLMQAHRLU-MRXNPFEDSA-N 2 2 382.553 -0.136 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000473030807 1073312831 /nfs/dbraw/zinc/31/28/31/1073312831.db2.gz GPMTZTDBXMHOAY-UHFFFAOYSA-N 2 2 383.537 -0.691 20 0 GBADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000473171459 1073553857 /nfs/dbraw/zinc/55/38/57/1073553857.db2.gz RTEKPAXKKNUHSX-MNEFBYGVSA-N 2 2 377.485 -0.049 20 0 GBADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000473171459 1073553852 /nfs/dbraw/zinc/55/38/52/1073553852.db2.gz RTEKPAXKKNUHSX-MNEFBYGVSA-N 2 2 377.485 -0.049 20 0 GBADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000473171468 1073554108 /nfs/dbraw/zinc/55/41/08/1073554108.db2.gz RTEKPAXKKNUHSX-SNRMKQJTSA-N 2 2 377.485 -0.049 20 0 GBADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000473171468 1073554102 /nfs/dbraw/zinc/55/41/02/1073554102.db2.gz RTEKPAXKKNUHSX-SNRMKQJTSA-N 2 2 377.485 -0.049 20 0 GBADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473254683 1073759701 /nfs/dbraw/zinc/75/97/01/1073759701.db2.gz MRBRDJDRYQWDCK-INIZCTEOSA-N 2 2 389.566 -0.211 20 0 GBADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473254684 1073780127 /nfs/dbraw/zinc/78/01/27/1073780127.db2.gz MRBRDJDRYQWDCK-MRXNPFEDSA-N 2 2 389.566 -0.211 20 0 GBADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473876463 1073079228 /nfs/dbraw/zinc/07/92/28/1073079228.db2.gz NCOFIWQWFDBLCY-UHFFFAOYSA-N 2 2 382.553 -0.182 20 0 GBADLP CNC(=O)C[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000473894298 1073106114 /nfs/dbraw/zinc/10/61/14/1073106114.db2.gz FCAQADAZWARMNJ-UHFFFAOYSA-N 2 2 382.553 -0.088 20 0 GBADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473944167 1073126831 /nfs/dbraw/zinc/12/68/31/1073126831.db2.gz IYWIBMWVSNKSEY-UHFFFAOYSA-N 2 2 382.509 -0.998 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000473963039 1073130495 /nfs/dbraw/zinc/13/04/95/1073130495.db2.gz BZMNMMFDGUYJTM-UHFFFAOYSA-N 2 2 396.536 -0.656 20 0 GBADLP C[C@@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000474035513 1073269988 /nfs/dbraw/zinc/26/99/88/1073269988.db2.gz UDJYAEZYUSBBGI-KRWDZBQOSA-N 2 2 382.553 -0.325 20 0 GBADLP C[C@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000474035515 1073269827 /nfs/dbraw/zinc/26/98/27/1073269827.db2.gz UDJYAEZYUSBBGI-QGZVFWFLSA-N 2 2 382.553 -0.325 20 0 GBADLP O=C(NCCC[NH+]1CCOCC1)C1(C(=O)NCCC[NH+]2CCOCC2)CCC1 ZINC000474064492 1073298960 /nfs/dbraw/zinc/29/89/60/1073298960.db2.gz DSPCQXZNABWOIB-UHFFFAOYSA-N 2 2 396.532 -0.166 20 0 GBADLP COC(=O)[C@@H](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000474704239 1073339163 /nfs/dbraw/zinc/33/91/63/1073339163.db2.gz IKSBIOZUUCDOFF-HNNXBMFYSA-N 2 2 382.505 -0.118 20 0 GBADLP COC(=O)[C@H](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000474704240 1073339085 /nfs/dbraw/zinc/33/90/85/1073339085.db2.gz IKSBIOZUUCDOFF-OAHLLOKOSA-N 2 2 382.505 -0.118 20 0 GBADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000475255080 1073485232 /nfs/dbraw/zinc/48/52/32/1073485232.db2.gz RTEKPAXKKNUHSX-AYOQOUSVSA-N 2 2 377.485 -0.049 20 0 GBADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000475255080 1073485227 /nfs/dbraw/zinc/48/52/27/1073485227.db2.gz RTEKPAXKKNUHSX-AYOQOUSVSA-N 2 2 377.485 -0.049 20 0 GBADLP COC(=O)CN1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000475310208 1073488805 /nfs/dbraw/zinc/48/88/05/1073488805.db2.gz BHILARCQUABNNZ-UHFFFAOYSA-N 2 2 375.473 -0.089 20 0 GBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000475442281 1073498643 /nfs/dbraw/zinc/49/86/43/1073498643.db2.gz BYHAHUVFEIWSES-INIZCTEOSA-N 2 2 378.477 -0.390 20 0 GBADLP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000475442295 1073498999 /nfs/dbraw/zinc/49/89/99/1073498999.db2.gz BYHAHUVFEIWSES-MRXNPFEDSA-N 2 2 378.477 -0.390 20 0 GBADLP CN(C)C(=O)Cn1cnc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000475862354 1073932573 /nfs/dbraw/zinc/93/25/73/1073932573.db2.gz GOLDEAVDKZLXHA-UHFFFAOYSA-N 2 2 380.497 -0.144 20 0 GBADLP CN(C)C(=O)Cn1cnc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000475862354 1073932560 /nfs/dbraw/zinc/93/25/60/1073932560.db2.gz GOLDEAVDKZLXHA-UHFFFAOYSA-N 2 2 380.497 -0.144 20 0 GBADLP Cc1nc(NCC[NH+]2CCSCC2)nc(NCC[NH+]2CCSCC2)n1 ZINC000480130208 530425053 /nfs/dbraw/zinc/42/50/53/530425053.db2.gz HVTYEAKGUWKBFI-UHFFFAOYSA-N 2 2 383.591 -0.055 20 0 GBADLP CC(C)OCCS(=O)(=O)NCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000481995683 530429263 /nfs/dbraw/zinc/42/92/63/530429263.db2.gz WQTVASVYHKHDHT-UHFFFAOYSA-N 2 2 378.539 -0.527 20 0 GBADLP COCCSCCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000486815268 530433996 /nfs/dbraw/zinc/43/39/96/530433996.db2.gz MVOOHKNVWKAUMI-UHFFFAOYSA-N 2 2 380.580 -0.134 20 0 GBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489709376 530438813 /nfs/dbraw/zinc/43/88/13/530438813.db2.gz QDNGUMDFSJLGJD-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489709376 530438812 /nfs/dbraw/zinc/43/88/12/530438812.db2.gz QDNGUMDFSJLGJD-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489709376 530438809 /nfs/dbraw/zinc/43/88/09/530438809.db2.gz QDNGUMDFSJLGJD-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489709376 530438807 /nfs/dbraw/zinc/43/88/07/530438807.db2.gz QDNGUMDFSJLGJD-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489709379 530438530 /nfs/dbraw/zinc/43/85/30/530438530.db2.gz QDNGUMDFSJLGJD-GJZGRUSLSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000489709379 530438528 /nfs/dbraw/zinc/43/85/28/530438528.db2.gz QDNGUMDFSJLGJD-GJZGRUSLSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000489709380 530438650 /nfs/dbraw/zinc/43/86/50/530438650.db2.gz QDNGUMDFSJLGJD-HUUCEWRRSA-N 2 2 396.579 -0.596 20 0 GBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000489709380 530438649 /nfs/dbraw/zinc/43/86/49/530438649.db2.gz QDNGUMDFSJLGJD-HUUCEWRRSA-N 2 2 396.579 -0.596 20 0 GBADLP CC(C)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000498908642 530443989 /nfs/dbraw/zinc/44/39/89/530443989.db2.gz KBORKXKWTPLMLP-KRWDZBQOSA-N 2 2 376.567 -0.100 20 0 GBADLP CC(C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000498908643 530443922 /nfs/dbraw/zinc/44/39/22/530443922.db2.gz KBORKXKWTPLMLP-QGZVFWFLSA-N 2 2 376.567 -0.100 20 0 GBADLP C[NH+]1CCC(Nc2nc(N3CCOCC3)nc(NC3CC[NH+](C)CC3)[nH+]2)CC1 ZINC000500289868 1073334805 /nfs/dbraw/zinc/33/48/05/1073334805.db2.gz BHTZXKXKRDWMOJ-UHFFFAOYSA-N 3 2 390.536 -0.436 20 0 GBADLP C[NH+]1CCC(Nc2nc(NC3CC[NH+](C)CC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC000500289868 1073334800 /nfs/dbraw/zinc/33/48/00/1073334800.db2.gz BHTZXKXKRDWMOJ-UHFFFAOYSA-N 3 2 390.536 -0.436 20 0 GBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000500328071 1073339986 /nfs/dbraw/zinc/33/99/86/1073339986.db2.gz SJOQKPIOPHJIGP-UHFFFAOYSA-N 2 2 398.467 -0.283 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500472819 1073704082 /nfs/dbraw/zinc/70/40/82/1073704082.db2.gz OQHKRZIWHVLUML-UHFFFAOYSA-N 2 2 395.548 -0.010 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500472819 1073704076 /nfs/dbraw/zinc/70/40/76/1073704076.db2.gz OQHKRZIWHVLUML-UHFFFAOYSA-N 2 2 395.548 -0.010 20 0 GBADLP COC(=O)CCN1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000501043896 1072169175 /nfs/dbraw/zinc/16/91/75/1072169175.db2.gz IXLBOKCPLQDGDS-INIZCTEOSA-N 2 2 397.520 -0.182 20 0 GBADLP COC(=O)CCN1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000501043896 1072169172 /nfs/dbraw/zinc/16/91/72/1072169172.db2.gz IXLBOKCPLQDGDS-INIZCTEOSA-N 2 2 397.520 -0.182 20 0 GBADLP COC(=O)CCN1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000501043897 1072169325 /nfs/dbraw/zinc/16/93/25/1072169325.db2.gz IXLBOKCPLQDGDS-MRXNPFEDSA-N 2 2 397.520 -0.182 20 0 GBADLP COC(=O)CCN1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000501043897 1072169322 /nfs/dbraw/zinc/16/93/22/1072169322.db2.gz IXLBOKCPLQDGDS-MRXNPFEDSA-N 2 2 397.520 -0.182 20 0 GBADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501108405 1072180339 /nfs/dbraw/zinc/18/03/39/1072180339.db2.gz HCRIDZCVTPHOPC-UHFFFAOYSA-N 2 2 384.521 -0.481 20 0 GBADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCCCN1CCCC1=O ZINC000501110172 1072180312 /nfs/dbraw/zinc/18/03/12/1072180312.db2.gz JJZICHRLPQOJBO-UHFFFAOYSA-N 2 2 382.505 -0.726 20 0 GBADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501586403 1072262327 /nfs/dbraw/zinc/26/23/27/1072262327.db2.gz FEMQHHFUPGYPFX-INIZCTEOSA-N 2 2 382.505 -0.606 20 0 GBADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501586404 1072262368 /nfs/dbraw/zinc/26/23/68/1072262368.db2.gz FEMQHHFUPGYPFX-MRXNPFEDSA-N 2 2 382.505 -0.606 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501622133 1072272909 /nfs/dbraw/zinc/27/29/09/1072272909.db2.gz ICPBJZKYQCDEPB-MSOLQXFVSA-N 2 2 396.532 -0.481 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501622133 1072272899 /nfs/dbraw/zinc/27/28/99/1072272899.db2.gz ICPBJZKYQCDEPB-MSOLQXFVSA-N 2 2 396.532 -0.481 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501622134 1072272646 /nfs/dbraw/zinc/27/26/46/1072272646.db2.gz ICPBJZKYQCDEPB-QZTJIDSGSA-N 2 2 396.532 -0.481 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501622134 1072272637 /nfs/dbraw/zinc/27/26/37/1072272637.db2.gz ICPBJZKYQCDEPB-QZTJIDSGSA-N 2 2 396.532 -0.481 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501622135 1072272748 /nfs/dbraw/zinc/27/27/48/1072272748.db2.gz ICPBJZKYQCDEPB-ROUUACIJSA-N 2 2 396.532 -0.481 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501622135 1072272741 /nfs/dbraw/zinc/27/27/41/1072272741.db2.gz ICPBJZKYQCDEPB-ROUUACIJSA-N 2 2 396.532 -0.481 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501622136 1072272728 /nfs/dbraw/zinc/27/27/28/1072272728.db2.gz ICPBJZKYQCDEPB-ZWKOTPCHSA-N 2 2 396.532 -0.481 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501622136 1072272721 /nfs/dbraw/zinc/27/27/21/1072272721.db2.gz ICPBJZKYQCDEPB-ZWKOTPCHSA-N 2 2 396.532 -0.481 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501642634 1072279077 /nfs/dbraw/zinc/27/90/77/1072279077.db2.gz UNDCLTXOLUNAKP-KRWDZBQOSA-N 2 2 396.532 -0.216 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501642635 1072279586 /nfs/dbraw/zinc/27/95/86/1072279586.db2.gz UNDCLTXOLUNAKP-QGZVFWFLSA-N 2 2 396.532 -0.216 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000501961060 1072294456 /nfs/dbraw/zinc/29/44/56/1072294456.db2.gz CNQZHKUZMNTUQR-INIZCTEOSA-N 2 2 377.489 -0.402 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000501961062 1072294830 /nfs/dbraw/zinc/29/48/30/1072294830.db2.gz CNQZHKUZMNTUQR-MRXNPFEDSA-N 2 2 377.489 -0.402 20 0 GBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000501962976 530446911 /nfs/dbraw/zinc/44/69/11/530446911.db2.gz QXTIFVXJMPKPRT-CVEARBPZSA-N 2 2 375.535 -0.078 20 0 GBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000501962977 530446906 /nfs/dbraw/zinc/44/69/06/530446906.db2.gz QXTIFVXJMPKPRT-HOTGVXAUSA-N 2 2 375.535 -0.078 20 0 GBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000501962978 530446934 /nfs/dbraw/zinc/44/69/34/530446934.db2.gz QXTIFVXJMPKPRT-HZPDHXFCSA-N 2 2 375.535 -0.078 20 0 GBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000501962979 530446930 /nfs/dbraw/zinc/44/69/30/530446930.db2.gz QXTIFVXJMPKPRT-JKSUJKDBSA-N 2 2 375.535 -0.078 20 0 GBADLP C[NH+]1CCN(c2cccc(C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)n2)CC1 ZINC000502034781 1072298737 /nfs/dbraw/zinc/29/87/37/1072298737.db2.gz VBSVIWSGHYLAKQ-IBGZPJMESA-N 2 2 377.489 -0.354 20 0 GBADLP C[NH+]1CCN(c2cccc(C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)n2)CC1 ZINC000502034783 1072298644 /nfs/dbraw/zinc/29/86/44/1072298644.db2.gz VBSVIWSGHYLAKQ-LJQANCHMSA-N 2 2 377.489 -0.354 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502260264 1072312808 /nfs/dbraw/zinc/31/28/08/1072312808.db2.gz RYDLRNKFQQHSPT-DLBZAZTESA-N 2 2 393.532 -0.260 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502260264 1072312795 /nfs/dbraw/zinc/31/27/95/1072312795.db2.gz RYDLRNKFQQHSPT-DLBZAZTESA-N 2 2 393.532 -0.260 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502260265 1072312610 /nfs/dbraw/zinc/31/26/10/1072312610.db2.gz RYDLRNKFQQHSPT-IAGOWNOFSA-N 2 2 393.532 -0.260 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502260265 1072312604 /nfs/dbraw/zinc/31/26/04/1072312604.db2.gz RYDLRNKFQQHSPT-IAGOWNOFSA-N 2 2 393.532 -0.260 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502260803 1072313002 /nfs/dbraw/zinc/31/30/02/1072313002.db2.gz RYDLRNKFQQHSPT-IRXDYDNUSA-N 2 2 393.532 -0.260 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502260803 1072312995 /nfs/dbraw/zinc/31/29/95/1072312995.db2.gz RYDLRNKFQQHSPT-IRXDYDNUSA-N 2 2 393.532 -0.260 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502260804 1072312677 /nfs/dbraw/zinc/31/26/77/1072312677.db2.gz RYDLRNKFQQHSPT-SJORKVTESA-N 2 2 393.532 -0.260 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502260804 1072312672 /nfs/dbraw/zinc/31/26/72/1072312672.db2.gz RYDLRNKFQQHSPT-SJORKVTESA-N 2 2 393.532 -0.260 20 0 GBADLP CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502267405 1072314388 /nfs/dbraw/zinc/31/43/88/1072314388.db2.gz DHQCDQLVUYQWKG-DLBZAZTESA-N 2 2 384.521 -0.219 20 0 GBADLP CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000502267405 1072314378 /nfs/dbraw/zinc/31/43/78/1072314378.db2.gz DHQCDQLVUYQWKG-DLBZAZTESA-N 2 2 384.521 -0.219 20 0 GBADLP CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502267406 1072314561 /nfs/dbraw/zinc/31/45/61/1072314561.db2.gz DHQCDQLVUYQWKG-IAGOWNOFSA-N 2 2 384.521 -0.219 20 0 GBADLP CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000502267406 1072314550 /nfs/dbraw/zinc/31/45/50/1072314550.db2.gz DHQCDQLVUYQWKG-IAGOWNOFSA-N 2 2 384.521 -0.219 20 0 GBADLP CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502267407 1072315021 /nfs/dbraw/zinc/31/50/21/1072315021.db2.gz DHQCDQLVUYQWKG-IRXDYDNUSA-N 2 2 384.521 -0.219 20 0 GBADLP CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000502267407 1072315018 /nfs/dbraw/zinc/31/50/18/1072315018.db2.gz DHQCDQLVUYQWKG-IRXDYDNUSA-N 2 2 384.521 -0.219 20 0 GBADLP CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502267408 1072314978 /nfs/dbraw/zinc/31/49/78/1072314978.db2.gz DHQCDQLVUYQWKG-SJORKVTESA-N 2 2 384.521 -0.219 20 0 GBADLP CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000502267408 1072314972 /nfs/dbraw/zinc/31/49/72/1072314972.db2.gz DHQCDQLVUYQWKG-SJORKVTESA-N 2 2 384.521 -0.219 20 0 GBADLP O=C(NCC[NH+]1CCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502628232 1072329353 /nfs/dbraw/zinc/32/93/53/1072329353.db2.gz POQQAUZFXFZVKO-UHFFFAOYSA-N 2 2 396.517 -0.462 20 0 GBADLP NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000502867135 1072340734 /nfs/dbraw/zinc/34/07/34/1072340734.db2.gz BOWJIGHKAWEUJJ-IBGZPJMESA-N 2 2 376.457 -0.943 20 0 GBADLP NC(=O)[C@]1(O)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000502867135 1072340719 /nfs/dbraw/zinc/34/07/19/1072340719.db2.gz BOWJIGHKAWEUJJ-IBGZPJMESA-N 2 2 376.457 -0.943 20 0 GBADLP NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000502867136 1072340781 /nfs/dbraw/zinc/34/07/81/1072340781.db2.gz BOWJIGHKAWEUJJ-LJQANCHMSA-N 2 2 376.457 -0.943 20 0 GBADLP NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000502867136 1072340773 /nfs/dbraw/zinc/34/07/73/1072340773.db2.gz BOWJIGHKAWEUJJ-LJQANCHMSA-N 2 2 376.457 -0.943 20 0 GBADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881692 1072340989 /nfs/dbraw/zinc/34/09/89/1072340989.db2.gz TXSVQQOUNXTLRD-FQEVSTJZSA-N 2 2 390.484 -0.348 20 0 GBADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881692 1072340981 /nfs/dbraw/zinc/34/09/81/1072340981.db2.gz TXSVQQOUNXTLRD-FQEVSTJZSA-N 2 2 390.484 -0.348 20 0 GBADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881692 1072340976 /nfs/dbraw/zinc/34/09/76/1072340976.db2.gz TXSVQQOUNXTLRD-FQEVSTJZSA-N 2 2 390.484 -0.348 20 0 GBADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881692 1072340967 /nfs/dbraw/zinc/34/09/67/1072340967.db2.gz TXSVQQOUNXTLRD-FQEVSTJZSA-N 2 2 390.484 -0.348 20 0 GBADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881693 1072340582 /nfs/dbraw/zinc/34/05/82/1072340582.db2.gz TXSVQQOUNXTLRD-HXUWFJFHSA-N 2 2 390.484 -0.348 20 0 GBADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881693 1072340573 /nfs/dbraw/zinc/34/05/73/1072340573.db2.gz TXSVQQOUNXTLRD-HXUWFJFHSA-N 2 2 390.484 -0.348 20 0 GBADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881693 1072340564 /nfs/dbraw/zinc/34/05/64/1072340564.db2.gz TXSVQQOUNXTLRD-HXUWFJFHSA-N 2 2 390.484 -0.348 20 0 GBADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881693 1072340557 /nfs/dbraw/zinc/34/05/57/1072340557.db2.gz TXSVQQOUNXTLRD-HXUWFJFHSA-N 2 2 390.484 -0.348 20 0 GBADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000502891244 1072340028 /nfs/dbraw/zinc/34/00/28/1072340028.db2.gz AFSYNIUSVACTPA-FOIQADDNSA-N 2 2 390.484 -0.554 20 0 GBADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000502891244 1072340020 /nfs/dbraw/zinc/34/00/20/1072340020.db2.gz AFSYNIUSVACTPA-FOIQADDNSA-N 2 2 390.484 -0.554 20 0 GBADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000502891245 1072340832 /nfs/dbraw/zinc/34/08/32/1072340832.db2.gz AFSYNIUSVACTPA-MGPUTAFESA-N 2 2 390.484 -0.554 20 0 GBADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000502891245 1072340823 /nfs/dbraw/zinc/34/08/23/1072340823.db2.gz AFSYNIUSVACTPA-MGPUTAFESA-N 2 2 390.484 -0.554 20 0 GBADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000502891246 1072340473 /nfs/dbraw/zinc/34/04/73/1072340473.db2.gz AFSYNIUSVACTPA-QRWLVFNGSA-N 2 2 390.484 -0.554 20 0 GBADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000502891246 1072340465 /nfs/dbraw/zinc/34/04/65/1072340465.db2.gz AFSYNIUSVACTPA-QRWLVFNGSA-N 2 2 390.484 -0.554 20 0 GBADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000502891247 1072340176 /nfs/dbraw/zinc/34/01/76/1072340176.db2.gz AFSYNIUSVACTPA-YWZLYKJASA-N 2 2 390.484 -0.554 20 0 GBADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000502891247 1072340164 /nfs/dbraw/zinc/34/01/64/1072340164.db2.gz AFSYNIUSVACTPA-YWZLYKJASA-N 2 2 390.484 -0.554 20 0 GBADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@@](O)(C(N)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000502898674 1072340418 /nfs/dbraw/zinc/34/04/18/1072340418.db2.gz HHLJUOMFTVGNNA-IBGZPJMESA-N 2 2 390.488 -0.521 20 0 GBADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@@](O)(C(N)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000502898674 1072340407 /nfs/dbraw/zinc/34/04/07/1072340407.db2.gz HHLJUOMFTVGNNA-IBGZPJMESA-N 2 2 390.488 -0.521 20 0 GBADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@](O)(C(N)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000502898675 1072339956 /nfs/dbraw/zinc/33/99/56/1072339956.db2.gz HHLJUOMFTVGNNA-LJQANCHMSA-N 2 2 390.488 -0.521 20 0 GBADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@](O)(C(N)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000502898675 1072339944 /nfs/dbraw/zinc/33/99/44/1072339944.db2.gz HHLJUOMFTVGNNA-LJQANCHMSA-N 2 2 390.488 -0.521 20 0 GBADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000503637477 1072476776 /nfs/dbraw/zinc/47/67/76/1072476776.db2.gz SEKLKHFGQIYLLT-UHFFFAOYSA-N 2 2 387.484 -0.237 20 0 GBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504524048 1072577670 /nfs/dbraw/zinc/57/76/70/1072577670.db2.gz AGPOCTAQFKFLTG-GOSISDBHSA-N 2 2 379.461 -0.406 20 0 GBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504524051 1072577479 /nfs/dbraw/zinc/57/74/79/1072577479.db2.gz AGPOCTAQFKFLTG-SFHVURJKSA-N 2 2 379.461 -0.406 20 0 GBADLP COC(=O)c1cn(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000504722093 1072586016 /nfs/dbraw/zinc/58/60/16/1072586016.db2.gz GDDNBISNFCBLBJ-UHFFFAOYSA-N 2 2 381.481 -0.268 20 0 GBADLP COC(=O)c1cn(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000504722093 1072586002 /nfs/dbraw/zinc/58/60/02/1072586002.db2.gz GDDNBISNFCBLBJ-UHFFFAOYSA-N 2 2 381.481 -0.268 20 0 GBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000506482043 1072930155 /nfs/dbraw/zinc/93/01/55/1072930155.db2.gz AHLCRIBQSCWGOL-IBGZPJMESA-N 2 2 392.504 -0.268 20 0 GBADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000506482049 1072929837 /nfs/dbraw/zinc/92/98/37/1072929837.db2.gz AHLCRIBQSCWGOL-LJQANCHMSA-N 2 2 392.504 -0.268 20 0 GBADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(C(=O)NCCCO)CC3)cn2)CC1 ZINC000506925406 1073039408 /nfs/dbraw/zinc/03/94/08/1073039408.db2.gz IIFNLQULZBATGN-UHFFFAOYSA-N 2 2 376.505 -0.061 20 0 GBADLP CCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000507370744 1073058392 /nfs/dbraw/zinc/05/83/92/1073058392.db2.gz MQRNVDZCOUJZDO-UHFFFAOYSA-N 2 2 394.476 -0.877 20 0 GBADLP CC[NH+](CC)CC(=O)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000507717872 1073077366 /nfs/dbraw/zinc/07/73/66/1073077366.db2.gz LHBAMNPQPBUVRU-UHFFFAOYSA-N 2 2 397.564 -0.301 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000507940686 1073211419 /nfs/dbraw/zinc/21/14/19/1073211419.db2.gz PXKHUQOHJBVUSE-HMQMGEFJSA-N 2 2 382.505 -0.731 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000507940686 1073211409 /nfs/dbraw/zinc/21/14/09/1073211409.db2.gz PXKHUQOHJBVUSE-HMQMGEFJSA-N 2 2 382.505 -0.731 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000507940690 1073210617 /nfs/dbraw/zinc/21/06/17/1073210617.db2.gz PXKHUQOHJBVUSE-NPYXIHBLSA-N 2 2 382.505 -0.731 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000507940690 1073210606 /nfs/dbraw/zinc/21/06/06/1073210606.db2.gz PXKHUQOHJBVUSE-NPYXIHBLSA-N 2 2 382.505 -0.731 20 0 GBADLP O=C(CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000508644122 1073888241 /nfs/dbraw/zinc/88/82/41/1073888241.db2.gz TVYATKDCKMYCAN-GOSISDBHSA-N 2 2 376.501 -0.134 20 0 GBADLP O=C(CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000508644126 1073887777 /nfs/dbraw/zinc/88/77/77/1073887777.db2.gz TVYATKDCKMYCAN-SFHVURJKSA-N 2 2 376.501 -0.134 20 0 GBADLP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000509546353 1072912655 /nfs/dbraw/zinc/91/26/55/1072912655.db2.gz YFDRWSQOECECLG-DLBZAZTESA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000509546353 1072912650 /nfs/dbraw/zinc/91/26/50/1072912650.db2.gz YFDRWSQOECECLG-DLBZAZTESA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000509546353 1072912648 /nfs/dbraw/zinc/91/26/48/1072912648.db2.gz YFDRWSQOECECLG-DLBZAZTESA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000509546353 1072912643 /nfs/dbraw/zinc/91/26/43/1072912643.db2.gz YFDRWSQOECECLG-DLBZAZTESA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000509546357 1072913095 /nfs/dbraw/zinc/91/30/95/1072913095.db2.gz YFDRWSQOECECLG-IAGOWNOFSA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000509546357 1072913087 /nfs/dbraw/zinc/91/30/87/1072913087.db2.gz YFDRWSQOECECLG-IAGOWNOFSA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000509546357 1072913080 /nfs/dbraw/zinc/91/30/80/1072913080.db2.gz YFDRWSQOECECLG-IAGOWNOFSA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000509546357 1072913075 /nfs/dbraw/zinc/91/30/75/1072913075.db2.gz YFDRWSQOECECLG-IAGOWNOFSA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000509546359 1072912519 /nfs/dbraw/zinc/91/25/19/1072912519.db2.gz YFDRWSQOECECLG-IRXDYDNUSA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000509546359 1072912514 /nfs/dbraw/zinc/91/25/14/1072912514.db2.gz YFDRWSQOECECLG-IRXDYDNUSA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000509546359 1072912508 /nfs/dbraw/zinc/91/25/08/1072912508.db2.gz YFDRWSQOECECLG-IRXDYDNUSA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000509546359 1072912500 /nfs/dbraw/zinc/91/25/00/1072912500.db2.gz YFDRWSQOECECLG-IRXDYDNUSA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000509546362 1072912571 /nfs/dbraw/zinc/91/25/71/1072912571.db2.gz YFDRWSQOECECLG-SJORKVTESA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000509546362 1072912566 /nfs/dbraw/zinc/91/25/66/1072912566.db2.gz YFDRWSQOECECLG-SJORKVTESA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000509546362 1072912561 /nfs/dbraw/zinc/91/25/61/1072912561.db2.gz YFDRWSQOECECLG-SJORKVTESA-N 2 2 382.505 -0.513 20 0 GBADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000509546362 1072912555 /nfs/dbraw/zinc/91/25/55/1072912555.db2.gz YFDRWSQOECECLG-SJORKVTESA-N 2 2 382.505 -0.513 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000510659875 530456622 /nfs/dbraw/zinc/45/66/22/530456622.db2.gz RDUYPBMUHYOHIB-CABCVRRESA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000510659875 530456621 /nfs/dbraw/zinc/45/66/21/530456621.db2.gz RDUYPBMUHYOHIB-CABCVRRESA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000510659875 530456619 /nfs/dbraw/zinc/45/66/19/530456619.db2.gz RDUYPBMUHYOHIB-CABCVRRESA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000510659875 530456618 /nfs/dbraw/zinc/45/66/18/530456618.db2.gz RDUYPBMUHYOHIB-CABCVRRESA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000510659876 530456740 /nfs/dbraw/zinc/45/67/40/530456740.db2.gz RDUYPBMUHYOHIB-GJZGRUSLSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000510659876 530456739 /nfs/dbraw/zinc/45/67/39/530456739.db2.gz RDUYPBMUHYOHIB-GJZGRUSLSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000510659876 530456738 /nfs/dbraw/zinc/45/67/38/530456738.db2.gz RDUYPBMUHYOHIB-GJZGRUSLSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000510659876 530456737 /nfs/dbraw/zinc/45/67/37/530456737.db2.gz RDUYPBMUHYOHIB-GJZGRUSLSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000510659877 530456713 /nfs/dbraw/zinc/45/67/13/530456713.db2.gz RDUYPBMUHYOHIB-HUUCEWRRSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000510659877 530456712 /nfs/dbraw/zinc/45/67/12/530456712.db2.gz RDUYPBMUHYOHIB-HUUCEWRRSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000510659877 530456710 /nfs/dbraw/zinc/45/67/10/530456710.db2.gz RDUYPBMUHYOHIB-HUUCEWRRSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000510659877 530456708 /nfs/dbraw/zinc/45/67/08/530456708.db2.gz RDUYPBMUHYOHIB-HUUCEWRRSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000510659878 530456463 /nfs/dbraw/zinc/45/64/63/530456463.db2.gz RDUYPBMUHYOHIB-LSDHHAIUSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000510659878 530456462 /nfs/dbraw/zinc/45/64/62/530456462.db2.gz RDUYPBMUHYOHIB-LSDHHAIUSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000510659878 530456460 /nfs/dbraw/zinc/45/64/60/530456460.db2.gz RDUYPBMUHYOHIB-LSDHHAIUSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000510659878 530456458 /nfs/dbraw/zinc/45/64/58/530456458.db2.gz RDUYPBMUHYOHIB-LSDHHAIUSA-N 2 2 376.523 -0.788 20 0 GBADLP CC(C)(CNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)[NH+]1CCOCC1 ZINC000510750969 1072231868 /nfs/dbraw/zinc/23/18/68/1072231868.db2.gz UPXARQHDYSVPGY-CABCVRRESA-N 2 2 390.550 -0.337 20 0 GBADLP CC(C)(CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)[NH+]1CCOCC1 ZINC000510750974 1072232316 /nfs/dbraw/zinc/23/23/16/1072232316.db2.gz UPXARQHDYSVPGY-GJZGRUSLSA-N 2 2 390.550 -0.337 20 0 GBADLP CC(C)(CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)[NH+]1CCOCC1 ZINC000510750975 1072232076 /nfs/dbraw/zinc/23/20/76/1072232076.db2.gz UPXARQHDYSVPGY-HUUCEWRRSA-N 2 2 390.550 -0.337 20 0 GBADLP CC(C)(CNC(=O)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)[NH+]1CCOCC1 ZINC000510750976 1072232056 /nfs/dbraw/zinc/23/20/56/1072232056.db2.gz UPXARQHDYSVPGY-LSDHHAIUSA-N 2 2 390.550 -0.337 20 0 GBADLP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000511058788 1072306572 /nfs/dbraw/zinc/30/65/72/1072306572.db2.gz ZYMCDWFVNYPVHM-MSOLQXFVSA-N 2 2 395.548 -0.548 20 0 GBADLP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000511058789 1072307320 /nfs/dbraw/zinc/30/73/20/1072307320.db2.gz ZYMCDWFVNYPVHM-QZTJIDSGSA-N 2 2 395.548 -0.548 20 0 GBADLP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000511058790 1072307174 /nfs/dbraw/zinc/30/71/74/1072307174.db2.gz ZYMCDWFVNYPVHM-ROUUACIJSA-N 2 2 395.548 -0.548 20 0 GBADLP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC000511058791 1072307307 /nfs/dbraw/zinc/30/73/07/1072307307.db2.gz ZYMCDWFVNYPVHM-ZWKOTPCHSA-N 2 2 395.548 -0.548 20 0 GBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000511084785 1072320318 /nfs/dbraw/zinc/32/03/18/1072320318.db2.gz FKLOCGRMSJEUPW-MSOLQXFVSA-N 2 2 396.532 -0.073 20 0 GBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000511084786 1072320467 /nfs/dbraw/zinc/32/04/67/1072320467.db2.gz FKLOCGRMSJEUPW-QZTJIDSGSA-N 2 2 396.532 -0.073 20 0 GBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000511084787 1072320138 /nfs/dbraw/zinc/32/01/38/1072320138.db2.gz FKLOCGRMSJEUPW-ROUUACIJSA-N 2 2 396.532 -0.073 20 0 GBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000511084788 1072320102 /nfs/dbraw/zinc/32/01/02/1072320102.db2.gz FKLOCGRMSJEUPW-ZWKOTPCHSA-N 2 2 396.532 -0.073 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000511423925 1072904902 /nfs/dbraw/zinc/90/49/02/1072904902.db2.gz AWUVVAVAJZMZEE-CVEARBPZSA-N 2 2 390.550 -0.143 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000511423925 1072904893 /nfs/dbraw/zinc/90/48/93/1072904893.db2.gz AWUVVAVAJZMZEE-CVEARBPZSA-N 2 2 390.550 -0.143 20 0 GBADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000511423926 1072905176 /nfs/dbraw/zinc/90/51/76/1072905176.db2.gz AWUVVAVAJZMZEE-HOTGVXAUSA-N 2 2 390.550 -0.143 20 0 GBADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000511423926 1072905171 /nfs/dbraw/zinc/90/51/71/1072905171.db2.gz AWUVVAVAJZMZEE-HOTGVXAUSA-N 2 2 390.550 -0.143 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000511423927 1072904729 /nfs/dbraw/zinc/90/47/29/1072904729.db2.gz AWUVVAVAJZMZEE-HZPDHXFCSA-N 2 2 390.550 -0.143 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000511423927 1072904715 /nfs/dbraw/zinc/90/47/15/1072904715.db2.gz AWUVVAVAJZMZEE-HZPDHXFCSA-N 2 2 390.550 -0.143 20 0 GBADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000511423928 1072905536 /nfs/dbraw/zinc/90/55/36/1072905536.db2.gz AWUVVAVAJZMZEE-JKSUJKDBSA-N 2 2 390.550 -0.143 20 0 GBADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000511423928 1072905529 /nfs/dbraw/zinc/90/55/29/1072905529.db2.gz AWUVVAVAJZMZEE-JKSUJKDBSA-N 2 2 390.550 -0.143 20 0 GBADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1)[NH+]1CCOCC1 ZINC000511580486 530458048 /nfs/dbraw/zinc/45/80/48/530458048.db2.gz LJUDOJYWZXRTSW-AWEZNQCLSA-N 2 2 376.523 -0.786 20 0 GBADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1)[NH+]1CCOCC1 ZINC000511580486 530458046 /nfs/dbraw/zinc/45/80/46/530458046.db2.gz LJUDOJYWZXRTSW-AWEZNQCLSA-N 2 2 376.523 -0.786 20 0 GBADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1)[NH+]1CCOCC1 ZINC000511580487 530457958 /nfs/dbraw/zinc/45/79/58/530457958.db2.gz LJUDOJYWZXRTSW-CQSZACIVSA-N 2 2 376.523 -0.786 20 0 GBADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1)[NH+]1CCOCC1 ZINC000511580487 530457955 /nfs/dbraw/zinc/45/79/55/530457955.db2.gz LJUDOJYWZXRTSW-CQSZACIVSA-N 2 2 376.523 -0.786 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511964780 1073549318 /nfs/dbraw/zinc/54/93/18/1073549318.db2.gz NIPNEPNKKFLPGI-JCYILVPMSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511964781 1073550107 /nfs/dbraw/zinc/55/01/07/1073550107.db2.gz NIPNEPNKKFLPGI-OFLPRAFFSA-N 2 2 382.505 -0.729 20 0 GBADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000512331724 1073697759 /nfs/dbraw/zinc/69/77/59/1073697759.db2.gz PMJFYRBEVQGMRI-DLBZAZTESA-N 2 2 388.578 -0.020 20 0 GBADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000512331724 1073697754 /nfs/dbraw/zinc/69/77/54/1073697754.db2.gz PMJFYRBEVQGMRI-DLBZAZTESA-N 2 2 388.578 -0.020 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000512331725 1073698161 /nfs/dbraw/zinc/69/81/61/1073698161.db2.gz PMJFYRBEVQGMRI-IAGOWNOFSA-N 2 2 388.578 -0.020 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000512331725 1073698158 /nfs/dbraw/zinc/69/81/58/1073698158.db2.gz PMJFYRBEVQGMRI-IAGOWNOFSA-N 2 2 388.578 -0.020 20 0 GBADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000512331726 1073697945 /nfs/dbraw/zinc/69/79/45/1073697945.db2.gz PMJFYRBEVQGMRI-IRXDYDNUSA-N 2 2 388.578 -0.020 20 0 GBADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000512331726 1073697941 /nfs/dbraw/zinc/69/79/41/1073697941.db2.gz PMJFYRBEVQGMRI-IRXDYDNUSA-N 2 2 388.578 -0.020 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000512331727 1073697841 /nfs/dbraw/zinc/69/78/41/1073697841.db2.gz PMJFYRBEVQGMRI-SJORKVTESA-N 2 2 388.578 -0.020 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000512331727 1073697838 /nfs/dbraw/zinc/69/78/38/1073697838.db2.gz PMJFYRBEVQGMRI-SJORKVTESA-N 2 2 388.578 -0.020 20 0 GBADLP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1CC(O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512461528 1073750126 /nfs/dbraw/zinc/75/01/26/1073750126.db2.gz DSWHHONLVKYXCL-ZRNYENFQSA-N 2 2 396.576 -0.063 20 0 GBADLP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1CC(O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512461528 1073750120 /nfs/dbraw/zinc/75/01/20/1073750120.db2.gz DSWHHONLVKYXCL-ZRNYENFQSA-N 2 2 396.576 -0.063 20 0 GBADLP CC1(C)C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CCO1 ZINC000512637463 1073864042 /nfs/dbraw/zinc/86/40/42/1073864042.db2.gz WBKKJJABNMOGLS-UHFFFAOYSA-N 2 2 385.553 -0.214 20 0 GBADLP CC1(C)C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CCO1 ZINC000512637463 1073864039 /nfs/dbraw/zinc/86/40/39/1073864039.db2.gz WBKKJJABNMOGLS-UHFFFAOYSA-N 2 2 385.553 -0.214 20 0 GBADLP CCC(CC)(NC(=O)C1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1)C(N)=O ZINC000513229029 1073955372 /nfs/dbraw/zinc/95/53/72/1073955372.db2.gz PYZTVKLEJGFYJF-UHFFFAOYSA-N 2 2 393.532 -0.179 20 0 GBADLP CC[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000513719036 1072280068 /nfs/dbraw/zinc/28/00/68/1072280068.db2.gz STPPSNDIPDFNCT-HNNXBMFYSA-N 2 2 383.518 -0.010 20 0 GBADLP CC[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000513719037 1072280506 /nfs/dbraw/zinc/28/05/06/1072280506.db2.gz STPPSNDIPDFNCT-OAHLLOKOSA-N 2 2 383.518 -0.010 20 0 GBADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882009 1072617959 /nfs/dbraw/zinc/61/79/59/1072617959.db2.gz ZGOVULXGZZVNJE-INIZCTEOSA-N 2 2 382.505 -0.116 20 0 GBADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882009 1072617952 /nfs/dbraw/zinc/61/79/52/1072617952.db2.gz ZGOVULXGZZVNJE-INIZCTEOSA-N 2 2 382.505 -0.116 20 0 GBADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882010 1072617825 /nfs/dbraw/zinc/61/78/25/1072617825.db2.gz ZGOVULXGZZVNJE-MRXNPFEDSA-N 2 2 382.505 -0.116 20 0 GBADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000513882010 1072617823 /nfs/dbraw/zinc/61/78/23/1072617823.db2.gz ZGOVULXGZZVNJE-MRXNPFEDSA-N 2 2 382.505 -0.116 20 0 GBADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513896624 1072617779 /nfs/dbraw/zinc/61/77/79/1072617779.db2.gz BSIZOFHQJZDUEB-UHFFFAOYSA-N 2 2 382.505 -0.116 20 0 GBADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513896624 1072617771 /nfs/dbraw/zinc/61/77/71/1072617771.db2.gz BSIZOFHQJZDUEB-UHFFFAOYSA-N 2 2 382.505 -0.116 20 0 GBADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1 ZINC000514095819 1072628775 /nfs/dbraw/zinc/62/87/75/1072628775.db2.gz QLJSOLGFIQNLED-UHFFFAOYSA-N 2 2 398.515 -0.056 20 0 GBADLP COCCCS(=O)(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514118556 530299745 /nfs/dbraw/zinc/29/97/45/530299745.db2.gz KMWUDDYJBOCZEZ-UHFFFAOYSA-N 2 2 376.523 -0.866 20 0 GBADLP CCS(=O)(=O)NCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000514122902 530299677 /nfs/dbraw/zinc/29/96/77/530299677.db2.gz PQUUWZUYFZVBHP-UHFFFAOYSA-N 2 2 375.539 -0.217 20 0 GBADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514678857 1073894663 /nfs/dbraw/zinc/89/46/63/1073894663.db2.gz WBPLACGLLRPXAK-BMFZPTHFSA-N 2 2 388.468 -0.251 20 0 GBADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514678857 1073894651 /nfs/dbraw/zinc/89/46/51/1073894651.db2.gz WBPLACGLLRPXAK-BMFZPTHFSA-N 2 2 388.468 -0.251 20 0 GBADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514678860 1072668009 /nfs/dbraw/zinc/66/80/09/1072668009.db2.gz WBPLACGLLRPXAK-FVQBIDKESA-N 2 2 388.468 -0.251 20 0 GBADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514678860 1072668001 /nfs/dbraw/zinc/66/80/01/1072668001.db2.gz WBPLACGLLRPXAK-FVQBIDKESA-N 2 2 388.468 -0.251 20 0 GBADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514678863 1072668030 /nfs/dbraw/zinc/66/80/30/1072668030.db2.gz WBPLACGLLRPXAK-KBMXLJTQSA-N 2 2 388.468 -0.251 20 0 GBADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514678863 1072668026 /nfs/dbraw/zinc/66/80/26/1072668026.db2.gz WBPLACGLLRPXAK-KBMXLJTQSA-N 2 2 388.468 -0.251 20 0 GBADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514678868 1072667924 /nfs/dbraw/zinc/66/79/24/1072667924.db2.gz WBPLACGLLRPXAK-VNQPRFMTSA-N 2 2 388.468 -0.251 20 0 GBADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514678868 1072667921 /nfs/dbraw/zinc/66/79/21/1072667921.db2.gz WBPLACGLLRPXAK-VNQPRFMTSA-N 2 2 388.468 -0.251 20 0 GBADLP [NH3+][C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000514720785 1072672396 /nfs/dbraw/zinc/67/23/96/1072672396.db2.gz DLCRQKXVCNPLHR-AWEZNQCLSA-N 2 2 382.490 -0.724 20 0 GBADLP COC[C@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000515056993 1072700534 /nfs/dbraw/zinc/70/05/34/1072700534.db2.gz NFPHUQJJGVIHJV-IBGZPJMESA-N 2 2 375.473 -0.137 20 0 GBADLP COC[C@@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000515057005 1072700642 /nfs/dbraw/zinc/70/06/42/1072700642.db2.gz NFPHUQJJGVIHJV-LJQANCHMSA-N 2 2 375.473 -0.137 20 0 GBADLP COC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]CC1 ZINC000515174373 1072709418 /nfs/dbraw/zinc/70/94/18/1072709418.db2.gz LSJOQTHQJMLSQW-UHFFFAOYSA-N 3 2 395.548 -0.548 20 0 GBADLP Cn1c2nnc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)n2c2ccsc2c1=O ZINC000515236063 1072716386 /nfs/dbraw/zinc/71/63/86/1072716386.db2.gz USLSFMUMEJPDEO-LLVKDONJSA-N 2 2 389.485 -0.070 20 0 GBADLP Cn1c2nnc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)n2c2ccsc2c1=O ZINC000515236063 1072716381 /nfs/dbraw/zinc/71/63/81/1072716381.db2.gz USLSFMUMEJPDEO-LLVKDONJSA-N 2 2 389.485 -0.070 20 0 GBADLP Cn1c2nnc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)n2c2ccsc2c1=O ZINC000515236064 1072716491 /nfs/dbraw/zinc/71/64/91/1072716491.db2.gz USLSFMUMEJPDEO-NSHDSACASA-N 2 2 389.485 -0.070 20 0 GBADLP Cn1c2nnc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)n2c2ccsc2c1=O ZINC000515236064 1072716490 /nfs/dbraw/zinc/71/64/90/1072716490.db2.gz USLSFMUMEJPDEO-NSHDSACASA-N 2 2 389.485 -0.070 20 0 GBADLP O=C(NCC(=O)N1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000515406000 1072723301 /nfs/dbraw/zinc/72/33/01/1072723301.db2.gz TWULFVNQYDTYQS-UHFFFAOYSA-N 2 2 375.473 -0.250 20 0 GBADLP CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000515621256 1072733560 /nfs/dbraw/zinc/73/35/60/1072733560.db2.gz OCIIURHLJXYEKU-MRXNPFEDSA-N 2 2 376.505 -0.176 20 0 GBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000515637384 530481195 /nfs/dbraw/zinc/48/11/95/530481195.db2.gz KHKUDRIQJQYTDI-GUTXKFCHSA-N 2 2 376.479 -0.846 20 0 GBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000515637384 530481194 /nfs/dbraw/zinc/48/11/94/530481194.db2.gz KHKUDRIQJQYTDI-GUTXKFCHSA-N 2 2 376.479 -0.846 20 0 GBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccon2)C[C@@H](C)O1 ZINC000515637385 530481190 /nfs/dbraw/zinc/48/11/90/530481190.db2.gz KHKUDRIQJQYTDI-NFAWXSAZSA-N 2 2 376.479 -0.846 20 0 GBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccon2)C[C@@H](C)O1 ZINC000515637386 530481292 /nfs/dbraw/zinc/48/12/92/530481292.db2.gz KHKUDRIQJQYTDI-UMVBOHGHSA-N 2 2 376.479 -0.846 20 0 GBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000515637387 530481104 /nfs/dbraw/zinc/48/11/04/530481104.db2.gz KHKUDRIQJQYTDI-VNHYZAJKSA-N 2 2 376.479 -0.846 20 0 GBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)Cc2ccon2)C[C@H](C)O1 ZINC000515637387 530481101 /nfs/dbraw/zinc/48/11/01/530481101.db2.gz KHKUDRIQJQYTDI-VNHYZAJKSA-N 2 2 376.479 -0.846 20 0 GBADLP O=C([C@H]1CCC[N@@H+](Cc2nnnn2CC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000516065563 1072752844 /nfs/dbraw/zinc/75/28/44/1072752844.db2.gz NSRJSTKBAIBZKC-INIZCTEOSA-N 2 2 377.493 -0.257 20 0 GBADLP O=C([C@H]1CCC[N@H+](Cc2nnnn2CC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000516065563 1072752835 /nfs/dbraw/zinc/75/28/35/1072752835.db2.gz NSRJSTKBAIBZKC-INIZCTEOSA-N 2 2 377.493 -0.257 20 0 GBADLP O=C([C@@H]1CCC[N@@H+](Cc2nnnn2CC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000516065569 1072752817 /nfs/dbraw/zinc/75/28/17/1072752817.db2.gz NSRJSTKBAIBZKC-MRXNPFEDSA-N 2 2 377.493 -0.257 20 0 GBADLP O=C([C@@H]1CCC[N@H+](Cc2nnnn2CC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000516065569 1072752808 /nfs/dbraw/zinc/75/28/08/1072752808.db2.gz NSRJSTKBAIBZKC-MRXNPFEDSA-N 2 2 377.493 -0.257 20 0 GBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516088830 530443533 /nfs/dbraw/zinc/44/35/33/530443533.db2.gz LTLGTGMQTUMEIS-AAEUAGOBSA-N 2 2 391.519 -0.056 20 0 GBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516088830 530443530 /nfs/dbraw/zinc/44/35/30/530443530.db2.gz LTLGTGMQTUMEIS-AAEUAGOBSA-N 2 2 391.519 -0.056 20 0 GBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516088833 530443442 /nfs/dbraw/zinc/44/34/42/530443442.db2.gz LTLGTGMQTUMEIS-DGCLKSJQSA-N 2 2 391.519 -0.056 20 0 GBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516088833 530443439 /nfs/dbraw/zinc/44/34/39/530443439.db2.gz LTLGTGMQTUMEIS-DGCLKSJQSA-N 2 2 391.519 -0.056 20 0 GBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516088964 530443310 /nfs/dbraw/zinc/44/33/10/530443310.db2.gz LTLGTGMQTUMEIS-WCQYABFASA-N 2 2 391.519 -0.056 20 0 GBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516088964 530443307 /nfs/dbraw/zinc/44/33/07/530443307.db2.gz LTLGTGMQTUMEIS-WCQYABFASA-N 2 2 391.519 -0.056 20 0 GBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516088965 530443383 /nfs/dbraw/zinc/44/33/83/530443383.db2.gz LTLGTGMQTUMEIS-YPMHNXCESA-N 2 2 391.519 -0.056 20 0 GBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516088965 530443382 /nfs/dbraw/zinc/44/33/82/530443382.db2.gz LTLGTGMQTUMEIS-YPMHNXCESA-N 2 2 391.519 -0.056 20 0 GBADLP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516315524 530443242 /nfs/dbraw/zinc/44/32/42/530443242.db2.gz NJLKBCOGBLUFGU-GFCCVEGCSA-N 2 2 379.508 -0.103 20 0 GBADLP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516315526 530443154 /nfs/dbraw/zinc/44/31/54/530443154.db2.gz NJLKBCOGBLUFGU-LBPRGKRZSA-N 2 2 379.508 -0.103 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNC(=O)c1cnccn1 ZINC000516590931 1072783745 /nfs/dbraw/zinc/78/37/45/1072783745.db2.gz YUPVVAJLXKKJSB-UHFFFAOYSA-N 2 2 377.493 -0.126 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNC(=O)c1cnccn1 ZINC000516590931 1072783732 /nfs/dbraw/zinc/78/37/32/1072783732.db2.gz YUPVVAJLXKKJSB-UHFFFAOYSA-N 2 2 377.493 -0.126 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000516766050 1072800321 /nfs/dbraw/zinc/80/03/21/1072800321.db2.gz BBFWBCPKNHBHNU-DLBZAZTESA-N 2 2 390.488 -0.530 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000516766052 1072801485 /nfs/dbraw/zinc/80/14/85/1072801485.db2.gz BBFWBCPKNHBHNU-IAGOWNOFSA-N 2 2 390.488 -0.530 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000516766053 1072801822 /nfs/dbraw/zinc/80/18/22/1072801822.db2.gz BBFWBCPKNHBHNU-IRXDYDNUSA-N 2 2 390.488 -0.530 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000516766054 1072801062 /nfs/dbraw/zinc/80/10/62/1072801062.db2.gz BBFWBCPKNHBHNU-SJORKVTESA-N 2 2 390.488 -0.530 20 0 GBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C2)CC1 ZINC000516912847 1072817781 /nfs/dbraw/zinc/81/77/81/1072817781.db2.gz JIDKCFKNTZPLBV-MSOLQXFVSA-N 2 2 377.533 -0.079 20 0 GBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C2)CC1 ZINC000516912847 1072817776 /nfs/dbraw/zinc/81/77/76/1072817776.db2.gz JIDKCFKNTZPLBV-MSOLQXFVSA-N 2 2 377.533 -0.079 20 0 GBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C2)CC1 ZINC000516912848 1072818052 /nfs/dbraw/zinc/81/80/52/1072818052.db2.gz JIDKCFKNTZPLBV-QZTJIDSGSA-N 2 2 377.533 -0.079 20 0 GBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C2)CC1 ZINC000516912848 1072818039 /nfs/dbraw/zinc/81/80/39/1072818039.db2.gz JIDKCFKNTZPLBV-QZTJIDSGSA-N 2 2 377.533 -0.079 20 0 GBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C2)CC1 ZINC000516912849 1072817675 /nfs/dbraw/zinc/81/76/75/1072817675.db2.gz JIDKCFKNTZPLBV-ROUUACIJSA-N 2 2 377.533 -0.079 20 0 GBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C2)CC1 ZINC000516912849 1072817673 /nfs/dbraw/zinc/81/76/73/1072817673.db2.gz JIDKCFKNTZPLBV-ROUUACIJSA-N 2 2 377.533 -0.079 20 0 GBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C2)CC1 ZINC000516912850 1072817649 /nfs/dbraw/zinc/81/76/49/1072817649.db2.gz JIDKCFKNTZPLBV-ZWKOTPCHSA-N 2 2 377.533 -0.079 20 0 GBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C2)CC1 ZINC000516912850 1072817642 /nfs/dbraw/zinc/81/76/42/1072817642.db2.gz JIDKCFKNTZPLBV-ZWKOTPCHSA-N 2 2 377.533 -0.079 20 0 GBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000516938909 1072819402 /nfs/dbraw/zinc/81/94/02/1072819402.db2.gz FCBXLOCUQWJAHF-GJZGRUSLSA-N 2 2 375.477 -0.057 20 0 GBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000516938909 1072819382 /nfs/dbraw/zinc/81/93/82/1072819382.db2.gz FCBXLOCUQWJAHF-GJZGRUSLSA-N 2 2 375.477 -0.057 20 0 GBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000516938910 1072819968 /nfs/dbraw/zinc/81/99/68/1072819968.db2.gz FCBXLOCUQWJAHF-LSDHHAIUSA-N 2 2 375.477 -0.057 20 0 GBADLP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000516938910 1072819964 /nfs/dbraw/zinc/81/99/64/1072819964.db2.gz FCBXLOCUQWJAHF-LSDHHAIUSA-N 2 2 375.477 -0.057 20 0 GBADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000516967624 1072820706 /nfs/dbraw/zinc/82/07/06/1072820706.db2.gz STGCUGLRQHQEFP-KRWDZBQOSA-N 2 2 390.484 -0.118 20 0 GBADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000516967626 1072820969 /nfs/dbraw/zinc/82/09/69/1072820969.db2.gz STGCUGLRQHQEFP-QGZVFWFLSA-N 2 2 390.484 -0.118 20 0 GBADLP CN(CCC[NH3+])C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000517041956 1072827412 /nfs/dbraw/zinc/82/74/12/1072827412.db2.gz GRQCRJZAWVZLHX-UHFFFAOYSA-N 2 2 378.473 -0.179 20 0 GBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000517100520 1072832268 /nfs/dbraw/zinc/83/22/68/1072832268.db2.gz VCIRFDADICJVNL-HNNXBMFYSA-N 2 2 395.891 -0.393 20 0 GBADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000517100522 1072832649 /nfs/dbraw/zinc/83/26/49/1072832649.db2.gz VCIRFDADICJVNL-OAHLLOKOSA-N 2 2 395.891 -0.393 20 0 GBADLP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[NH+](C2CCC2)CC1 ZINC000517123373 1072836041 /nfs/dbraw/zinc/83/60/41/1072836041.db2.gz HIJVTBPDOZIYRM-INIZCTEOSA-N 2 2 377.489 -0.894 20 0 GBADLP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CC[NH+](C2CCC2)CC1 ZINC000517123374 1072835395 /nfs/dbraw/zinc/83/53/95/1072835395.db2.gz HIJVTBPDOZIYRM-MRXNPFEDSA-N 2 2 377.489 -0.894 20 0 GBADLP CN(CCC[NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517224769 1072849554 /nfs/dbraw/zinc/84/95/54/1072849554.db2.gz RXVMCZLRXODMPG-UHFFFAOYSA-N 2 2 384.506 -0.476 20 0 GBADLP CN(C(=O)[C@H]1CCC(=O)NC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517306046 1072858185 /nfs/dbraw/zinc/85/81/85/1072858185.db2.gz ANAQHUNWVKAMOX-HNNXBMFYSA-N 2 2 379.505 -0.791 20 0 GBADLP CN(C(=O)[C@@H]1CCC(=O)NC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517306047 1072858061 /nfs/dbraw/zinc/85/80/61/1072858061.db2.gz ANAQHUNWVKAMOX-OAHLLOKOSA-N 2 2 379.505 -0.791 20 0 GBADLP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000517516473 1072866605 /nfs/dbraw/zinc/86/66/05/1072866605.db2.gz NFFQXAZQXMJPHM-KRWDZBQOSA-N 3 2 393.532 -0.448 20 0 GBADLP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000517516474 1072867130 /nfs/dbraw/zinc/86/71/30/1072867130.db2.gz NFFQXAZQXMJPHM-QGZVFWFLSA-N 3 2 393.532 -0.448 20 0 GBADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582601 1072872442 /nfs/dbraw/zinc/87/24/42/1072872442.db2.gz KMUFLQLHISMMNO-DOMZBBRYSA-N 2 2 380.470 -0.103 20 0 GBADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582601 1072872439 /nfs/dbraw/zinc/87/24/39/1072872439.db2.gz KMUFLQLHISMMNO-DOMZBBRYSA-N 2 2 380.470 -0.103 20 0 GBADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582604 1072872724 /nfs/dbraw/zinc/87/27/24/1072872724.db2.gz KMUFLQLHISMMNO-IUODEOHRSA-N 2 2 380.470 -0.103 20 0 GBADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582604 1072872712 /nfs/dbraw/zinc/87/27/12/1072872712.db2.gz KMUFLQLHISMMNO-IUODEOHRSA-N 2 2 380.470 -0.103 20 0 GBADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582606 1072872345 /nfs/dbraw/zinc/87/23/45/1072872345.db2.gz KMUFLQLHISMMNO-SWLSCSKDSA-N 2 2 380.470 -0.103 20 0 GBADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582606 1072872334 /nfs/dbraw/zinc/87/23/34/1072872334.db2.gz KMUFLQLHISMMNO-SWLSCSKDSA-N 2 2 380.470 -0.103 20 0 GBADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582607 1072872460 /nfs/dbraw/zinc/87/24/60/1072872460.db2.gz KMUFLQLHISMMNO-WFASDCNBSA-N 2 2 380.470 -0.103 20 0 GBADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582607 1072872456 /nfs/dbraw/zinc/87/24/56/1072872456.db2.gz KMUFLQLHISMMNO-WFASDCNBSA-N 2 2 380.470 -0.103 20 0 GBADLP CO[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000517743169 1072883860 /nfs/dbraw/zinc/88/38/60/1072883860.db2.gz RGICGJPHJSIXFB-CVEARBPZSA-N 2 2 398.529 -0.179 20 0 GBADLP CO[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000517743169 1072883851 /nfs/dbraw/zinc/88/38/51/1072883851.db2.gz RGICGJPHJSIXFB-CVEARBPZSA-N 2 2 398.529 -0.179 20 0 GBADLP CO[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000517743170 1072883473 /nfs/dbraw/zinc/88/34/73/1072883473.db2.gz RGICGJPHJSIXFB-HOTGVXAUSA-N 2 2 398.529 -0.179 20 0 GBADLP CO[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000517743170 1072883465 /nfs/dbraw/zinc/88/34/65/1072883465.db2.gz RGICGJPHJSIXFB-HOTGVXAUSA-N 2 2 398.529 -0.179 20 0 GBADLP CO[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000517743171 1072883528 /nfs/dbraw/zinc/88/35/28/1072883528.db2.gz RGICGJPHJSIXFB-HZPDHXFCSA-N 2 2 398.529 -0.179 20 0 GBADLP CO[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000517743171 1072883522 /nfs/dbraw/zinc/88/35/22/1072883522.db2.gz RGICGJPHJSIXFB-HZPDHXFCSA-N 2 2 398.529 -0.179 20 0 GBADLP CO[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000517743172 1072883554 /nfs/dbraw/zinc/88/35/54/1072883554.db2.gz RGICGJPHJSIXFB-JKSUJKDBSA-N 2 2 398.529 -0.179 20 0 GBADLP CO[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000517743172 1072883552 /nfs/dbraw/zinc/88/35/52/1072883552.db2.gz RGICGJPHJSIXFB-JKSUJKDBSA-N 2 2 398.529 -0.179 20 0 GBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000518064686 1072907707 /nfs/dbraw/zinc/90/77/07/1072907707.db2.gz KDTMZIRUEXZAJD-CRAIPNDOSA-N 2 2 399.561 -0.167 20 0 GBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000518064686 1072907703 /nfs/dbraw/zinc/90/77/03/1072907703.db2.gz KDTMZIRUEXZAJD-CRAIPNDOSA-N 2 2 399.561 -0.167 20 0 GBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000518064687 1072907640 /nfs/dbraw/zinc/90/76/40/1072907640.db2.gz KDTMZIRUEXZAJD-MAUKXSAKSA-N 2 2 399.561 -0.167 20 0 GBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000518064687 1072907628 /nfs/dbraw/zinc/90/76/28/1072907628.db2.gz KDTMZIRUEXZAJD-MAUKXSAKSA-N 2 2 399.561 -0.167 20 0 GBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000518064688 1072907679 /nfs/dbraw/zinc/90/76/79/1072907679.db2.gz KDTMZIRUEXZAJD-QAPCUYQASA-N 2 2 399.561 -0.167 20 0 GBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000518064688 1072907672 /nfs/dbraw/zinc/90/76/72/1072907672.db2.gz KDTMZIRUEXZAJD-QAPCUYQASA-N 2 2 399.561 -0.167 20 0 GBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000518064689 1072907380 /nfs/dbraw/zinc/90/73/80/1072907380.db2.gz KDTMZIRUEXZAJD-YJBOKZPZSA-N 2 2 399.561 -0.167 20 0 GBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000518064689 1072907379 /nfs/dbraw/zinc/90/73/79/1072907379.db2.gz KDTMZIRUEXZAJD-YJBOKZPZSA-N 2 2 399.561 -0.167 20 0 GBADLP COc1ccccc1C[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000518140719 1072914002 /nfs/dbraw/zinc/91/40/02/1072914002.db2.gz RJXHCIQXBJWPAP-UHFFFAOYSA-N 2 2 375.473 -0.046 20 0 GBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000518144695 1072913028 /nfs/dbraw/zinc/91/30/28/1072913028.db2.gz RJHPEZRFBLIIIE-UHFFFAOYSA-N 2 2 393.532 -0.353 20 0 GBADLP COCCOCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499307 1072223401 /nfs/dbraw/zinc/22/34/01/1072223401.db2.gz BQLYGJYRXJBJKO-UHFFFAOYSA-N 2 2 384.521 -0.264 20 0 GBADLP CCC[N@@H+](C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000518575545 1072940969 /nfs/dbraw/zinc/94/09/69/1072940969.db2.gz BPSORIWSKWNMPF-UHFFFAOYSA-N 2 2 383.518 -0.009 20 0 GBADLP CCC[N@H+](C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000518575545 1072940967 /nfs/dbraw/zinc/94/09/67/1072940967.db2.gz BPSORIWSKWNMPF-UHFFFAOYSA-N 2 2 383.518 -0.009 20 0 GBADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000518594541 1072233280 /nfs/dbraw/zinc/23/32/80/1072233280.db2.gz LTJSYAXWUQCVGB-KRWDZBQOSA-N 2 2 377.489 -0.589 20 0 GBADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000518594542 1072941486 /nfs/dbraw/zinc/94/14/86/1072941486.db2.gz LTJSYAXWUQCVGB-QGZVFWFLSA-N 2 2 377.489 -0.589 20 0 GBADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000518736810 1072952960 /nfs/dbraw/zinc/95/29/60/1072952960.db2.gz YVTNIUQZGORRPD-IXDOHACOSA-N 2 2 375.473 -0.431 20 0 GBADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000518736810 1072952953 /nfs/dbraw/zinc/95/29/53/1072952953.db2.gz YVTNIUQZGORRPD-IXDOHACOSA-N 2 2 375.473 -0.431 20 0 GBADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000518736811 1072953036 /nfs/dbraw/zinc/95/30/36/1072953036.db2.gz YVTNIUQZGORRPD-YESZJQIVSA-N 2 2 375.473 -0.431 20 0 GBADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000518736811 1072953031 /nfs/dbraw/zinc/95/30/31/1072953031.db2.gz YVTNIUQZGORRPD-YESZJQIVSA-N 2 2 375.473 -0.431 20 0 GBADLP COCCN1C(=O)C[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000518736952 1072952976 /nfs/dbraw/zinc/95/29/76/1072952976.db2.gz BQKVAYXUCSPISA-INIZCTEOSA-N 2 2 380.489 -0.364 20 0 GBADLP COCCN1C(=O)C[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000518736953 1072953051 /nfs/dbraw/zinc/95/30/51/1072953051.db2.gz BQKVAYXUCSPISA-MRXNPFEDSA-N 2 2 380.489 -0.364 20 0 GBADLP C[NH+]1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518915819 1072964925 /nfs/dbraw/zinc/96/49/25/1072964925.db2.gz VDPAHJYVWQUJCM-KRWDZBQOSA-N 2 2 381.521 -0.937 20 0 GBADLP C[NH+]1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000518915820 1072965092 /nfs/dbraw/zinc/96/50/92/1072965092.db2.gz VDPAHJYVWQUJCM-QGZVFWFLSA-N 2 2 381.521 -0.937 20 0 GBADLP CCCNC(=O)CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518949372 1072967455 /nfs/dbraw/zinc/96/74/55/1072967455.db2.gz KCWRUESPZRPZRC-UHFFFAOYSA-N 2 2 395.548 -0.010 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C[NH+]1CCOCC1 ZINC000519007487 1072973321 /nfs/dbraw/zinc/97/33/21/1072973321.db2.gz VACAFWVZHRYRAE-INIZCTEOSA-N 2 2 383.537 -0.787 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000519007487 1072973317 /nfs/dbraw/zinc/97/33/17/1072973317.db2.gz VACAFWVZHRYRAE-INIZCTEOSA-N 2 2 383.537 -0.787 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C[NH+]1CCOCC1 ZINC000519007488 1072973376 /nfs/dbraw/zinc/97/33/76/1072973376.db2.gz VACAFWVZHRYRAE-MRXNPFEDSA-N 2 2 383.537 -0.787 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000519007488 1072973372 /nfs/dbraw/zinc/97/33/72/1072973372.db2.gz VACAFWVZHRYRAE-MRXNPFEDSA-N 2 2 383.537 -0.787 20 0 GBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000519226604 1072986688 /nfs/dbraw/zinc/98/66/88/1072986688.db2.gz PYZGKMSGSVGGEM-GDBMZVCRSA-N 2 2 379.505 -0.792 20 0 GBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000519226604 1072986682 /nfs/dbraw/zinc/98/66/82/1072986682.db2.gz PYZGKMSGSVGGEM-GDBMZVCRSA-N 2 2 379.505 -0.792 20 0 GBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000519226605 1072987113 /nfs/dbraw/zinc/98/71/13/1072987113.db2.gz PYZGKMSGSVGGEM-GOEBONIOSA-N 2 2 379.505 -0.792 20 0 GBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000519226605 1072987108 /nfs/dbraw/zinc/98/71/08/1072987108.db2.gz PYZGKMSGSVGGEM-GOEBONIOSA-N 2 2 379.505 -0.792 20 0 GBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000519226606 1072987028 /nfs/dbraw/zinc/98/70/28/1072987028.db2.gz PYZGKMSGSVGGEM-HOCLYGCPSA-N 2 2 379.505 -0.792 20 0 GBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000519226606 1072987021 /nfs/dbraw/zinc/98/70/21/1072987021.db2.gz PYZGKMSGSVGGEM-HOCLYGCPSA-N 2 2 379.505 -0.792 20 0 GBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000519226607 1072986748 /nfs/dbraw/zinc/98/67/48/1072986748.db2.gz PYZGKMSGSVGGEM-ZBFHGGJFSA-N 2 2 379.505 -0.792 20 0 GBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000519226607 1072986739 /nfs/dbraw/zinc/98/67/39/1072986739.db2.gz PYZGKMSGSVGGEM-ZBFHGGJFSA-N 2 2 379.505 -0.792 20 0 GBADLP CCOCCOCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000519272444 1072990226 /nfs/dbraw/zinc/99/02/26/1072990226.db2.gz OQFIGWQAGDXHOD-UHFFFAOYSA-N 2 2 384.521 -0.264 20 0 GBADLP CCCC(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000519272593 1072989906 /nfs/dbraw/zinc/98/99/06/1072989906.db2.gz WWSWMMDDTAMOMU-UHFFFAOYSA-N 2 2 381.521 -0.401 20 0 GBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000519321311 1072992520 /nfs/dbraw/zinc/99/25/20/1072992520.db2.gz JZDSOFWUUBWJJV-KRWDZBQOSA-N 2 2 382.553 -0.182 20 0 GBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000519321312 1072992778 /nfs/dbraw/zinc/99/27/78/1072992778.db2.gz JZDSOFWUUBWJJV-QGZVFWFLSA-N 2 2 382.553 -0.182 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000519569004 1073032638 /nfs/dbraw/zinc/03/26/38/1073032638.db2.gz YHCIZVSYQOUNAF-KRWDZBQOSA-N 2 2 382.505 -0.872 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000519569009 1073032551 /nfs/dbraw/zinc/03/25/51/1073032551.db2.gz YHCIZVSYQOUNAF-QGZVFWFLSA-N 2 2 382.505 -0.872 20 0 GBADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000519590492 1073047931 /nfs/dbraw/zinc/04/79/31/1073047931.db2.gz GHFSSIWBUWYSLQ-UHFFFAOYSA-N 2 2 383.537 -0.956 20 0 GBADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000519591851 1073050459 /nfs/dbraw/zinc/05/04/59/1073050459.db2.gz VKIUDVGTLYLOLA-DLBZAZTESA-N 2 2 381.521 -0.843 20 0 GBADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000519591864 1073050401 /nfs/dbraw/zinc/05/04/01/1073050401.db2.gz VKIUDVGTLYLOLA-IAGOWNOFSA-N 2 2 381.521 -0.843 20 0 GBADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000519591867 1073050542 /nfs/dbraw/zinc/05/05/42/1073050542.db2.gz VKIUDVGTLYLOLA-IRXDYDNUSA-N 2 2 381.521 -0.843 20 0 GBADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000519591868 1073050445 /nfs/dbraw/zinc/05/04/45/1073050445.db2.gz VKIUDVGTLYLOLA-SJORKVTESA-N 2 2 381.521 -0.843 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000519634285 1073081631 /nfs/dbraw/zinc/08/16/31/1073081631.db2.gz KHVRZDBOLNTGQW-DLBZAZTESA-N 2 2 384.521 -0.626 20 0 GBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000519634286 1073081361 /nfs/dbraw/zinc/08/13/61/1073081361.db2.gz KHVRZDBOLNTGQW-IAGOWNOFSA-N 2 2 384.521 -0.626 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000519634287 1073081392 /nfs/dbraw/zinc/08/13/92/1073081392.db2.gz KHVRZDBOLNTGQW-IRXDYDNUSA-N 2 2 384.521 -0.626 20 0 GBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000519634289 1073081199 /nfs/dbraw/zinc/08/11/99/1073081199.db2.gz KHVRZDBOLNTGQW-SJORKVTESA-N 2 2 384.521 -0.626 20 0 GBADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000519778696 1073088673 /nfs/dbraw/zinc/08/86/73/1073088673.db2.gz SFKLFTRIQBYPDI-MSOLQXFVSA-N 2 2 398.548 -0.066 20 0 GBADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000519778698 1073088243 /nfs/dbraw/zinc/08/82/43/1073088243.db2.gz SFKLFTRIQBYPDI-QZTJIDSGSA-N 2 2 398.548 -0.066 20 0 GBADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000519778704 1073088944 /nfs/dbraw/zinc/08/89/44/1073088944.db2.gz SFKLFTRIQBYPDI-ROUUACIJSA-N 2 2 398.548 -0.066 20 0 GBADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000519778709 1073088510 /nfs/dbraw/zinc/08/85/10/1073088510.db2.gz SFKLFTRIQBYPDI-ZWKOTPCHSA-N 2 2 398.548 -0.066 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000519812520 1073089707 /nfs/dbraw/zinc/08/97/07/1073089707.db2.gz HCDDEWVDUUSDGJ-HNNXBMFYSA-N 2 2 396.517 -0.415 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000519812527 1073089647 /nfs/dbraw/zinc/08/96/47/1073089647.db2.gz HCDDEWVDUUSDGJ-OAHLLOKOSA-N 2 2 396.517 -0.415 20 0 GBADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520114817 1073104980 /nfs/dbraw/zinc/10/49/80/1073104980.db2.gz JZXAQXNFIZQAOY-HNNXBMFYSA-N 2 2 390.554 -0.854 20 0 GBADLP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520114818 1073105328 /nfs/dbraw/zinc/10/53/28/1073105328.db2.gz JZXAQXNFIZQAOY-OAHLLOKOSA-N 2 2 390.554 -0.854 20 0 GBADLP CC(C)[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520551548 1073182300 /nfs/dbraw/zinc/18/23/00/1073182300.db2.gz GVXUROJWJDGCFJ-UHFFFAOYSA-N 2 2 390.554 -0.854 20 0 GBADLP CC(C)[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520551548 1073182294 /nfs/dbraw/zinc/18/22/94/1073182294.db2.gz GVXUROJWJDGCFJ-UHFFFAOYSA-N 2 2 390.554 -0.854 20 0 GBADLP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000520771071 1073932643 /nfs/dbraw/zinc/93/26/43/1073932643.db2.gz NSRJKKXARKJKFI-BZSNNMDCSA-N 2 2 387.484 -0.127 20 0 GBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000520884215 1073233958 /nfs/dbraw/zinc/23/39/58/1073233958.db2.gz PFBBWOAHFWAGBK-GOSISDBHSA-N 2 2 385.553 -0.525 20 0 GBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000520884215 1073233953 /nfs/dbraw/zinc/23/39/53/1073233953.db2.gz PFBBWOAHFWAGBK-GOSISDBHSA-N 2 2 385.553 -0.525 20 0 GBADLP CC[C@H](O)C[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000520884216 1073234171 /nfs/dbraw/zinc/23/41/71/1073234171.db2.gz PFBBWOAHFWAGBK-SFHVURJKSA-N 2 2 385.553 -0.525 20 0 GBADLP CC[C@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000520884216 1073234165 /nfs/dbraw/zinc/23/41/65/1073234165.db2.gz PFBBWOAHFWAGBK-SFHVURJKSA-N 2 2 385.553 -0.525 20 0 GBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000520989293 1073243162 /nfs/dbraw/zinc/24/31/62/1073243162.db2.gz MIEGNPBWBBPXJC-UHFFFAOYSA-N 2 2 377.489 -0.940 20 0 GBADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000521029713 1073245922 /nfs/dbraw/zinc/24/59/22/1073245922.db2.gz NVOMYBIIUXRXTA-INIZCTEOSA-N 2 2 390.488 -0.270 20 0 GBADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000521029713 1073245916 /nfs/dbraw/zinc/24/59/16/1073245916.db2.gz NVOMYBIIUXRXTA-INIZCTEOSA-N 2 2 390.488 -0.270 20 0 GBADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000521029714 1073245859 /nfs/dbraw/zinc/24/58/59/1073245859.db2.gz NVOMYBIIUXRXTA-MRXNPFEDSA-N 2 2 390.488 -0.270 20 0 GBADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000521029714 1073245853 /nfs/dbraw/zinc/24/58/53/1073245853.db2.gz NVOMYBIIUXRXTA-MRXNPFEDSA-N 2 2 390.488 -0.270 20 0 GBADLP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000521068294 530452458 /nfs/dbraw/zinc/45/24/58/530452458.db2.gz SVFJOLWNCBOGQM-GFCCVEGCSA-N 2 2 379.508 -0.103 20 0 GBADLP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000521068294 530452456 /nfs/dbraw/zinc/45/24/56/530452456.db2.gz SVFJOLWNCBOGQM-GFCCVEGCSA-N 2 2 379.508 -0.103 20 0 GBADLP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000521068295 530452437 /nfs/dbraw/zinc/45/24/37/530452437.db2.gz SVFJOLWNCBOGQM-LBPRGKRZSA-N 2 2 379.508 -0.103 20 0 GBADLP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000521068295 530452435 /nfs/dbraw/zinc/45/24/35/530452435.db2.gz SVFJOLWNCBOGQM-LBPRGKRZSA-N 2 2 379.508 -0.103 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCCO1 ZINC000521218320 1073260026 /nfs/dbraw/zinc/26/00/26/1073260026.db2.gz ZFYPUKHQXMOYKU-GOSISDBHSA-N 2 2 389.500 -0.499 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCCO1 ZINC000521218321 1073260039 /nfs/dbraw/zinc/26/00/39/1073260039.db2.gz ZFYPUKHQXMOYKU-SFHVURJKSA-N 2 2 389.500 -0.499 20 0 GBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521240204 1073261914 /nfs/dbraw/zinc/26/19/14/1073261914.db2.gz KCTMOHOCJSNMLB-IRXDYDNUSA-N 2 2 382.553 -0.136 20 0 GBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521240204 1073261905 /nfs/dbraw/zinc/26/19/05/1073261905.db2.gz KCTMOHOCJSNMLB-IRXDYDNUSA-N 2 2 382.553 -0.136 20 0 GBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521240205 1073261974 /nfs/dbraw/zinc/26/19/74/1073261974.db2.gz KCTMOHOCJSNMLB-SJORKVTESA-N 2 2 382.553 -0.136 20 0 GBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521240205 1073261962 /nfs/dbraw/zinc/26/19/62/1073261962.db2.gz KCTMOHOCJSNMLB-SJORKVTESA-N 2 2 382.553 -0.136 20 0 GBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000521431239 1073270078 /nfs/dbraw/zinc/27/00/78/1073270078.db2.gz KMKDFAKMWSJXAZ-ALOPSCKCSA-N 2 2 386.500 -0.080 20 0 GBADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000521686949 1073277265 /nfs/dbraw/zinc/27/72/65/1073277265.db2.gz MEFWLKCDBVGPGX-UHFFFAOYSA-N 2 2 391.472 -0.348 20 0 GBADLP Cn1cc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000522105313 1073294195 /nfs/dbraw/zinc/29/41/95/1073294195.db2.gz JCWLRJYGEHQJQF-UHFFFAOYSA-N 2 2 383.518 -0.039 20 0 GBADLP O=C(COCC(=O)NCC[NH+]1CCSCC1)NCC[NH+]1CCSCC1 ZINC000522121438 530463609 /nfs/dbraw/zinc/46/36/09/530463609.db2.gz BYMZNDSGZCERCP-UHFFFAOYSA-N 2 2 390.575 -0.667 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCN3CCCS3(=O)=O)CC2)CC1 ZINC000522409610 1073319076 /nfs/dbraw/zinc/31/90/76/1073319076.db2.gz JYTAAINZYIZYJW-UHFFFAOYSA-N 2 2 387.550 -0.120 20 0 GBADLP COCC[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000522700350 1073431508 /nfs/dbraw/zinc/43/15/08/1073431508.db2.gz YZZPYSIMUWGEGJ-GOSISDBHSA-N 2 2 385.553 -0.261 20 0 GBADLP COCC[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H]1C ZINC000522700350 1073431503 /nfs/dbraw/zinc/43/15/03/1073431503.db2.gz YZZPYSIMUWGEGJ-GOSISDBHSA-N 2 2 385.553 -0.261 20 0 GBADLP COCC[N@H+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000522700351 1073431371 /nfs/dbraw/zinc/43/13/71/1073431371.db2.gz YZZPYSIMUWGEGJ-SFHVURJKSA-N 2 2 385.553 -0.261 20 0 GBADLP COCC[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H]1C ZINC000522700351 1073431364 /nfs/dbraw/zinc/43/13/64/1073431364.db2.gz YZZPYSIMUWGEGJ-SFHVURJKSA-N 2 2 385.553 -0.261 20 0 GBADLP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC000523471492 1073552354 /nfs/dbraw/zinc/55/23/54/1073552354.db2.gz OHWPRTRJIQHHOQ-DLBZAZTESA-N 2 2 382.553 -0.103 20 0 GBADLP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC000523471492 1073552348 /nfs/dbraw/zinc/55/23/48/1073552348.db2.gz OHWPRTRJIQHHOQ-DLBZAZTESA-N 2 2 382.553 -0.103 20 0 GBADLP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC000523471493 1073552814 /nfs/dbraw/zinc/55/28/14/1073552814.db2.gz OHWPRTRJIQHHOQ-IAGOWNOFSA-N 2 2 382.553 -0.103 20 0 GBADLP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC000523471493 1073552804 /nfs/dbraw/zinc/55/28/04/1073552804.db2.gz OHWPRTRJIQHHOQ-IAGOWNOFSA-N 2 2 382.553 -0.103 20 0 GBADLP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC000523471494 1073552564 /nfs/dbraw/zinc/55/25/64/1073552564.db2.gz OHWPRTRJIQHHOQ-IRXDYDNUSA-N 2 2 382.553 -0.103 20 0 GBADLP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC000523471494 1073552552 /nfs/dbraw/zinc/55/25/52/1073552552.db2.gz OHWPRTRJIQHHOQ-IRXDYDNUSA-N 2 2 382.553 -0.103 20 0 GBADLP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC000523471495 1073553049 /nfs/dbraw/zinc/55/30/49/1073553049.db2.gz OHWPRTRJIQHHOQ-SJORKVTESA-N 2 2 382.553 -0.103 20 0 GBADLP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)N1CC[NH+](C)CC1 ZINC000523471495 1073553037 /nfs/dbraw/zinc/55/30/37/1073553037.db2.gz OHWPRTRJIQHHOQ-SJORKVTESA-N 2 2 382.553 -0.103 20 0 GBADLP CCCCNC(=O)CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000523840095 530465057 /nfs/dbraw/zinc/46/50/57/530465057.db2.gz SROHDDZIDJRTLF-UHFFFAOYSA-N 2 2 375.539 -0.597 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000523939935 1073570937 /nfs/dbraw/zinc/57/09/37/1073570937.db2.gz LVCORGULASLUMN-HNNXBMFYSA-N 2 2 387.550 -0.122 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000523939936 1073571188 /nfs/dbraw/zinc/57/11/88/1073571188.db2.gz LVCORGULASLUMN-OAHLLOKOSA-N 2 2 387.550 -0.122 20 0 GBADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000525779890 1073640350 /nfs/dbraw/zinc/64/03/50/1073640350.db2.gz YVWSRZGQMQYXDI-INIZCTEOSA-N 2 2 384.550 -0.201 20 0 GBADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000525779890 1073640346 /nfs/dbraw/zinc/64/03/46/1073640346.db2.gz YVWSRZGQMQYXDI-INIZCTEOSA-N 2 2 384.550 -0.201 20 0 GBADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000525779891 1073640507 /nfs/dbraw/zinc/64/05/07/1073640507.db2.gz YVWSRZGQMQYXDI-MRXNPFEDSA-N 2 2 384.550 -0.201 20 0 GBADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000525779891 1073640502 /nfs/dbraw/zinc/64/05/02/1073640502.db2.gz YVWSRZGQMQYXDI-MRXNPFEDSA-N 2 2 384.550 -0.201 20 0 GBADLP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000526102412 1073656302 /nfs/dbraw/zinc/65/63/02/1073656302.db2.gz SWSHZSHPGJHZLQ-UHFFFAOYSA-N 2 2 390.488 -0.182 20 0 GBADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000526596992 1073659681 /nfs/dbraw/zinc/65/96/81/1073659681.db2.gz LHUPAEPSYFCBAT-DLBZAZTESA-N 2 2 395.548 -0.014 20 0 GBADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000526596992 1073659670 /nfs/dbraw/zinc/65/96/70/1073659670.db2.gz LHUPAEPSYFCBAT-DLBZAZTESA-N 2 2 395.548 -0.014 20 0 GBADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000526596993 1073659734 /nfs/dbraw/zinc/65/97/34/1073659734.db2.gz LHUPAEPSYFCBAT-IAGOWNOFSA-N 2 2 395.548 -0.014 20 0 GBADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000526596993 1073659728 /nfs/dbraw/zinc/65/97/28/1073659728.db2.gz LHUPAEPSYFCBAT-IAGOWNOFSA-N 2 2 395.548 -0.014 20 0 GBADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000526596994 1073659877 /nfs/dbraw/zinc/65/98/77/1073659877.db2.gz LHUPAEPSYFCBAT-IRXDYDNUSA-N 2 2 395.548 -0.014 20 0 GBADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000526596994 1073659875 /nfs/dbraw/zinc/65/98/75/1073659875.db2.gz LHUPAEPSYFCBAT-IRXDYDNUSA-N 2 2 395.548 -0.014 20 0 GBADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000526596995 1073659763 /nfs/dbraw/zinc/65/97/63/1073659763.db2.gz LHUPAEPSYFCBAT-SJORKVTESA-N 2 2 395.548 -0.014 20 0 GBADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000526596995 1073659757 /nfs/dbraw/zinc/65/97/57/1073659757.db2.gz LHUPAEPSYFCBAT-SJORKVTESA-N 2 2 395.548 -0.014 20 0 GBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000527373871 1073683833 /nfs/dbraw/zinc/68/38/33/1073683833.db2.gz MMVNXSQHODBMNR-UHFFFAOYSA-N 2 2 389.460 -0.448 20 0 GBADLP CNC(=O)NC[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000527727362 1073694969 /nfs/dbraw/zinc/69/49/69/1073694969.db2.gz RBDQRFUQKMOWBH-KRWDZBQOSA-N 2 2 396.536 -0.116 20 0 GBADLP CNC(=O)NC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000527727378 1073695064 /nfs/dbraw/zinc/69/50/64/1073695064.db2.gz RBDQRFUQKMOWBH-QGZVFWFLSA-N 2 2 396.536 -0.116 20 0 GBADLP O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000528603839 1073716707 /nfs/dbraw/zinc/71/67/07/1073716707.db2.gz FQHKTUGGQNJTSI-OALUTQOASA-N 2 2 377.485 -0.332 20 0 GBADLP CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000528733679 1073721898 /nfs/dbraw/zinc/72/18/98/1073721898.db2.gz FTMNIVPUBZYWEK-UHFFFAOYSA-N 2 2 381.521 -0.354 20 0 GBADLP CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000528733679 1073721895 /nfs/dbraw/zinc/72/18/95/1073721895.db2.gz FTMNIVPUBZYWEK-UHFFFAOYSA-N 2 2 381.521 -0.354 20 0 GBADLP CC(C)(CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000529281563 1073730643 /nfs/dbraw/zinc/73/06/43/1073730643.db2.gz IUVUDBXMLPSRBX-UHFFFAOYSA-N 2 2 382.509 -0.550 20 0 GBADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000529287326 1073731299 /nfs/dbraw/zinc/73/12/99/1073731299.db2.gz QSTNVWQSUUXYGW-KRWDZBQOSA-N 2 2 375.473 -0.138 20 0 GBADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000529287336 1073731799 /nfs/dbraw/zinc/73/17/99/1073731799.db2.gz QSTNVWQSUUXYGW-QGZVFWFLSA-N 2 2 375.473 -0.138 20 0 GBADLP CC(C)[C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000529290238 1073731860 /nfs/dbraw/zinc/73/18/60/1073731860.db2.gz RCIFFJGRMSDELJ-KRWDZBQOSA-N 2 2 396.536 -0.304 20 0 GBADLP CC(C)[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000529290242 1073731763 /nfs/dbraw/zinc/73/17/63/1073731763.db2.gz RCIFFJGRMSDELJ-QGZVFWFLSA-N 2 2 396.536 -0.304 20 0 GBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529301926 1073731122 /nfs/dbraw/zinc/73/11/22/1073731122.db2.gz KOQOZMLKLPEJKD-UHFFFAOYSA-N 2 2 382.509 -0.550 20 0 GBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529301926 1073731112 /nfs/dbraw/zinc/73/11/12/1073731112.db2.gz KOQOZMLKLPEJKD-UHFFFAOYSA-N 2 2 382.509 -0.550 20 0 GBADLP CC1(C)C[N@@H+](CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCO1 ZINC000529302900 1073732712 /nfs/dbraw/zinc/73/27/12/1073732712.db2.gz LRUHRAJDYAYKPZ-UHFFFAOYSA-N 2 2 382.509 -0.550 20 0 GBADLP CC1(C)C[N@H+](CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCO1 ZINC000529302900 1073732708 /nfs/dbraw/zinc/73/27/08/1073732708.db2.gz LRUHRAJDYAYKPZ-UHFFFAOYSA-N 2 2 382.509 -0.550 20 0 GBADLP C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000529307706 1073731716 /nfs/dbraw/zinc/73/17/16/1073731716.db2.gz OPJMABUYTYJWEM-CVEARBPZSA-N 2 2 382.509 -0.552 20 0 GBADLP C[C@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000529307737 1073731518 /nfs/dbraw/zinc/73/15/18/1073731518.db2.gz OPJMABUYTYJWEM-HOTGVXAUSA-N 2 2 382.509 -0.552 20 0 GBADLP C[C@@H](NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000529307742 1073731995 /nfs/dbraw/zinc/73/19/95/1073731995.db2.gz OPJMABUYTYJWEM-HZPDHXFCSA-N 2 2 382.509 -0.552 20 0 GBADLP C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000529307745 1073731148 /nfs/dbraw/zinc/73/11/48/1073731148.db2.gz OPJMABUYTYJWEM-JKSUJKDBSA-N 2 2 382.509 -0.552 20 0 GBADLP CN(C)c1[nH+]cc(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)n1C ZINC000529313636 1073732554 /nfs/dbraw/zinc/73/25/54/1073732554.db2.gz DSQNJGKDUDMZAG-UHFFFAOYSA-N 2 2 378.481 -0.662 20 0 GBADLP C[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)CN1CC[NH+](C)CC1 ZINC000529313899 1073732775 /nfs/dbraw/zinc/73/27/75/1073732775.db2.gz RMIGOZOZQIYMIM-KRWDZBQOSA-N 2 2 395.552 -0.778 20 0 GBADLP C[C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)CN1CC[NH+](C)CC1 ZINC000529313900 1073733048 /nfs/dbraw/zinc/73/30/48/1073733048.db2.gz RMIGOZOZQIYMIM-QGZVFWFLSA-N 2 2 395.552 -0.778 20 0 GBADLP CC(=O)NCC(=O)N1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000529666424 1073739099 /nfs/dbraw/zinc/73/90/99/1073739099.db2.gz XPMZBFNMTWETOX-UHFFFAOYSA-N 2 2 389.504 -0.601 20 0 GBADLP CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000529666424 1073739082 /nfs/dbraw/zinc/73/90/82/1073739082.db2.gz XPMZBFNMTWETOX-UHFFFAOYSA-N 2 2 389.504 -0.601 20 0 GBADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000529754779 1073748363 /nfs/dbraw/zinc/74/83/63/1073748363.db2.gz VYULKVVSMFLHNR-BEFAXECRSA-N 2 2 382.505 -0.872 20 0 GBADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000529754779 1073748355 /nfs/dbraw/zinc/74/83/55/1073748355.db2.gz VYULKVVSMFLHNR-BEFAXECRSA-N 2 2 382.505 -0.872 20 0 GBADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000529754780 1073747680 /nfs/dbraw/zinc/74/76/80/1073747680.db2.gz VYULKVVSMFLHNR-DNVCBOLYSA-N 2 2 382.505 -0.872 20 0 GBADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000529754780 1073747670 /nfs/dbraw/zinc/74/76/70/1073747670.db2.gz VYULKVVSMFLHNR-DNVCBOLYSA-N 2 2 382.505 -0.872 20 0 GBADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000529754781 1073748110 /nfs/dbraw/zinc/74/81/10/1073748110.db2.gz VYULKVVSMFLHNR-HNAYVOBHSA-N 2 2 382.505 -0.872 20 0 GBADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000529754781 1073748106 /nfs/dbraw/zinc/74/81/06/1073748106.db2.gz VYULKVVSMFLHNR-HNAYVOBHSA-N 2 2 382.505 -0.872 20 0 GBADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000529754782 1073748170 /nfs/dbraw/zinc/74/81/70/1073748170.db2.gz VYULKVVSMFLHNR-KXBFYZLASA-N 2 2 382.505 -0.872 20 0 GBADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000529754782 1073748162 /nfs/dbraw/zinc/74/81/62/1073748162.db2.gz VYULKVVSMFLHNR-KXBFYZLASA-N 2 2 382.505 -0.872 20 0 GBADLP NS(=O)(=O)c1ccc(OCC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530228134 1073763632 /nfs/dbraw/zinc/76/36/32/1073763632.db2.gz NPSVKUFRORFETL-UHFFFAOYSA-N 2 2 397.501 -0.644 20 0 GBADLP CC(C)[C@@H]1C[NH2+]CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000530230230 1073763874 /nfs/dbraw/zinc/76/38/74/1073763874.db2.gz WTYMBMALMWCMOI-INIZCTEOSA-N 2 2 386.504 -0.058 20 0 GBADLP CC(C)[C@H]1C[NH2+]CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000530230231 1073763825 /nfs/dbraw/zinc/76/38/25/1073763825.db2.gz WTYMBMALMWCMOI-MRXNPFEDSA-N 2 2 386.504 -0.058 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530958175 1073788769 /nfs/dbraw/zinc/78/87/69/1073788769.db2.gz SLXUWUQQOZMJJJ-AZUAARDMSA-N 2 2 377.485 -0.225 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530958175 1073788763 /nfs/dbraw/zinc/78/87/63/1073788763.db2.gz SLXUWUQQOZMJJJ-AZUAARDMSA-N 2 2 377.485 -0.225 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530958176 1073788076 /nfs/dbraw/zinc/78/80/76/1073788076.db2.gz SLXUWUQQOZMJJJ-ICSRJNTNSA-N 2 2 377.485 -0.225 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530958176 1073788064 /nfs/dbraw/zinc/78/80/64/1073788064.db2.gz SLXUWUQQOZMJJJ-ICSRJNTNSA-N 2 2 377.485 -0.225 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530958177 1073788739 /nfs/dbraw/zinc/78/87/39/1073788739.db2.gz SLXUWUQQOZMJJJ-QUCCMNQESA-N 2 2 377.485 -0.225 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530958177 1073788730 /nfs/dbraw/zinc/78/87/30/1073788730.db2.gz SLXUWUQQOZMJJJ-QUCCMNQESA-N 2 2 377.485 -0.225 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530958178 1073788496 /nfs/dbraw/zinc/78/84/96/1073788496.db2.gz SLXUWUQQOZMJJJ-UYAOXDASSA-N 2 2 377.485 -0.225 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530958178 1073788489 /nfs/dbraw/zinc/78/84/89/1073788489.db2.gz SLXUWUQQOZMJJJ-UYAOXDASSA-N 2 2 377.485 -0.225 20 0 GBADLP CN(C(=O)C1(C(N)=O)CCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000531114024 1073793285 /nfs/dbraw/zinc/79/32/85/1073793285.db2.gz DNYHGLFDUPPZHA-UHFFFAOYSA-N 2 2 379.505 -0.661 20 0 GBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000531252093 1073799895 /nfs/dbraw/zinc/79/98/95/1073799895.db2.gz GRMZBEQHJSHZSS-UHFFFAOYSA-N 2 2 384.502 -0.489 20 0 GBADLP C[C@@H](CC(=O)N(C)C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531683714 1073817272 /nfs/dbraw/zinc/81/72/72/1073817272.db2.gz LWLVBFBJUGMVPO-HNNXBMFYSA-N 2 2 383.518 -0.010 20 0 GBADLP C[C@H](CC(=O)N(C)C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531683715 1073817077 /nfs/dbraw/zinc/81/70/77/1073817077.db2.gz LWLVBFBJUGMVPO-OAHLLOKOSA-N 2 2 383.518 -0.010 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000531770928 1073819668 /nfs/dbraw/zinc/81/96/68/1073819668.db2.gz GINPSCOBWHQJJC-BZSNNMDCSA-N 2 2 384.521 -0.301 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000531770929 1073819084 /nfs/dbraw/zinc/81/90/84/1073819084.db2.gz GINPSCOBWHQJJC-KSZLIROESA-N 2 2 384.521 -0.301 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000531770930 1073819201 /nfs/dbraw/zinc/81/92/01/1073819201.db2.gz GINPSCOBWHQJJC-OKZBNKHCSA-N 2 2 384.521 -0.301 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000531770931 1073819484 /nfs/dbraw/zinc/81/94/84/1073819484.db2.gz GINPSCOBWHQJJC-RCCFBDPRSA-N 2 2 384.521 -0.301 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000531845880 1073821302 /nfs/dbraw/zinc/82/13/02/1073821302.db2.gz DRNGNRLXCDHEDB-UHFFFAOYSA-N 2 2 389.566 -0.952 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000531845880 1073821284 /nfs/dbraw/zinc/82/12/84/1073821284.db2.gz DRNGNRLXCDHEDB-UHFFFAOYSA-N 2 2 389.566 -0.952 20 0 GBADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+]1CCCC1 ZINC000532598799 1073933258 /nfs/dbraw/zinc/93/32/58/1073933258.db2.gz ZDRSGQSAQCXOGE-HNNXBMFYSA-N 2 2 378.477 -0.246 20 0 GBADLP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+]1CCCC1 ZINC000532598800 1073933203 /nfs/dbraw/zinc/93/32/03/1073933203.db2.gz ZDRSGQSAQCXOGE-OAHLLOKOSA-N 2 2 378.477 -0.246 20 0 GBADLP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000532608166 1073934981 /nfs/dbraw/zinc/93/49/81/1073934981.db2.gz QNIPWKDNRCZGCA-HNNXBMFYSA-N 2 2 378.477 -0.388 20 0 GBADLP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000532608166 1073934973 /nfs/dbraw/zinc/93/49/73/1073934973.db2.gz QNIPWKDNRCZGCA-HNNXBMFYSA-N 2 2 378.477 -0.388 20 0 GBADLP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000532608178 1073934700 /nfs/dbraw/zinc/93/47/00/1073934700.db2.gz QNIPWKDNRCZGCA-OAHLLOKOSA-N 2 2 378.477 -0.388 20 0 GBADLP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000532608178 1073934692 /nfs/dbraw/zinc/93/46/92/1073934692.db2.gz QNIPWKDNRCZGCA-OAHLLOKOSA-N 2 2 378.477 -0.388 20 0 GBADLP CS(=O)(=O)N1CC[NH+](CCCCC[NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC000532740643 530298535 /nfs/dbraw/zinc/29/85/35/530298535.db2.gz VFZHXQCIRIERCU-UHFFFAOYSA-N 2 2 396.579 -0.689 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757934 530204266 /nfs/dbraw/zinc/20/42/66/530204266.db2.gz LNKRPJWRXWKSDN-BFHYXJOUSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757934 530204264 /nfs/dbraw/zinc/20/42/64/530204264.db2.gz LNKRPJWRXWKSDN-BFHYXJOUSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+]([C@@H](C)CC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757934 530204262 /nfs/dbraw/zinc/20/42/62/530204262.db2.gz LNKRPJWRXWKSDN-BFHYXJOUSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+]([C@@H](C)CC[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757934 530204260 /nfs/dbraw/zinc/20/42/60/530204260.db2.gz LNKRPJWRXWKSDN-BFHYXJOUSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757935 530204295 /nfs/dbraw/zinc/20/42/95/530204295.db2.gz LNKRPJWRXWKSDN-MCIONIFRSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757935 530204292 /nfs/dbraw/zinc/20/42/92/530204292.db2.gz LNKRPJWRXWKSDN-MCIONIFRSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@@H](C)[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757935 530204291 /nfs/dbraw/zinc/20/42/91/530204291.db2.gz LNKRPJWRXWKSDN-MCIONIFRSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@@H](C)[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757935 530204290 /nfs/dbraw/zinc/20/42/90/530204290.db2.gz LNKRPJWRXWKSDN-MCIONIFRSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757936 530204555 /nfs/dbraw/zinc/20/45/55/530204555.db2.gz LNKRPJWRXWKSDN-MGPQQGTHSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757936 530204552 /nfs/dbraw/zinc/20/45/52/530204552.db2.gz LNKRPJWRXWKSDN-MGPQQGTHSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+]([C@H](C)CC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757936 530204549 /nfs/dbraw/zinc/20/45/49/530204549.db2.gz LNKRPJWRXWKSDN-MGPQQGTHSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+]([C@H](C)CC[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000532757936 530204547 /nfs/dbraw/zinc/20/45/47/530204547.db2.gz LNKRPJWRXWKSDN-MGPQQGTHSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757937 530204410 /nfs/dbraw/zinc/20/44/10/530204410.db2.gz LNKRPJWRXWKSDN-MJBXVCDLSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757937 530204408 /nfs/dbraw/zinc/20/44/08/530204408.db2.gz LNKRPJWRXWKSDN-MJBXVCDLSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757937 530204407 /nfs/dbraw/zinc/20/44/07/530204407.db2.gz LNKRPJWRXWKSDN-MJBXVCDLSA-N 2 2 382.552 -0.988 20 0 GBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@H](C)[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000532757937 530204405 /nfs/dbraw/zinc/20/44/05/530204405.db2.gz LNKRPJWRXWKSDN-MJBXVCDLSA-N 2 2 382.552 -0.988 20 0 GBADLP C[C@@H](C[NH+]1CCC[C@@H]1CS(N)(=O)=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000533392925 530074506 /nfs/dbraw/zinc/07/45/06/530074506.db2.gz DNQLMADIBAKCAK-BTTYYORXSA-N 2 2 382.552 -0.872 20 0 GBADLP C[C@@H](C[NH+]1CCC[C@@H]1CS(N)(=O)=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000533392925 530074504 /nfs/dbraw/zinc/07/45/04/530074504.db2.gz DNQLMADIBAKCAK-BTTYYORXSA-N 2 2 382.552 -0.872 20 0 GBADLP C[C@H](C[NH+]1CCC[C@H]1CS(N)(=O)=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000533392925 530074502 /nfs/dbraw/zinc/07/45/02/530074502.db2.gz DNQLMADIBAKCAK-BTTYYORXSA-N 2 2 382.552 -0.872 20 0 GBADLP C[C@H](C[NH+]1CCC[C@H]1CS(N)(=O)=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000533392925 530074500 /nfs/dbraw/zinc/07/45/00/530074500.db2.gz DNQLMADIBAKCAK-BTTYYORXSA-N 2 2 382.552 -0.872 20 0 GBADLP CC(C[NH+]1CCC[C@H]1CS(N)(=O)=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000533392928 530074892 /nfs/dbraw/zinc/07/48/92/530074892.db2.gz DNQLMADIBAKCAK-KBPBESRZSA-N 2 2 382.552 -0.872 20 0 GBADLP CC(C[NH+]1CCC[C@H]1CS(N)(=O)=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000533392928 530074889 /nfs/dbraw/zinc/07/48/89/530074889.db2.gz DNQLMADIBAKCAK-KBPBESRZSA-N 2 2 382.552 -0.872 20 0 GBADLP CC(C[NH+]1CCC[C@@H]1CS(N)(=O)=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000533392929 530074916 /nfs/dbraw/zinc/07/49/16/530074916.db2.gz DNQLMADIBAKCAK-ZIAGYGMSSA-N 2 2 382.552 -0.872 20 0 GBADLP CC(C[NH+]1CCC[C@@H]1CS(N)(=O)=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000533392929 530074915 /nfs/dbraw/zinc/07/49/15/530074915.db2.gz DNQLMADIBAKCAK-ZIAGYGMSSA-N 2 2 382.552 -0.872 20 0 GBADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000534714807 530268994 /nfs/dbraw/zinc/26/89/94/530268994.db2.gz BGQIEWIPFYWAQA-OAHLLOKOSA-N 2 2 375.539 -0.264 20 0 GBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000534716015 530269080 /nfs/dbraw/zinc/26/90/80/530269080.db2.gz HDKIQJAJDZSGPF-AWEZNQCLSA-N 2 2 375.539 -0.264 20 0 GBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000534716017 530269139 /nfs/dbraw/zinc/26/91/39/530269139.db2.gz HDKIQJAJDZSGPF-CQSZACIVSA-N 2 2 375.539 -0.264 20 0 GBADLP CCS(=O)(=O)N(C)CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000534717736 530269200 /nfs/dbraw/zinc/26/92/00/530269200.db2.gz RBQSKBPYFILCHN-UHFFFAOYSA-N 2 2 377.555 -0.017 20 0 GBADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000534718031 530269009 /nfs/dbraw/zinc/26/90/09/530269009.db2.gz QTITUOVMJDLTBZ-AWEZNQCLSA-N 2 2 375.539 -0.407 20 0 GBADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000534718038 530269207 /nfs/dbraw/zinc/26/92/07/530269207.db2.gz QTITUOVMJDLTBZ-CQSZACIVSA-N 2 2 375.539 -0.407 20 0 GBADLP CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000534718045 530269188 /nfs/dbraw/zinc/26/91/88/530269188.db2.gz VFARSIZFCJVKOH-HNNXBMFYSA-N 2 2 375.539 -0.264 20 0 GBADLP CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000534718047 530268977 /nfs/dbraw/zinc/26/89/77/530268977.db2.gz VFARSIZFCJVKOH-OAHLLOKOSA-N 2 2 375.539 -0.264 20 0 GBADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000535667570 1072250772 /nfs/dbraw/zinc/25/07/72/1072250772.db2.gz HKSBWSGERSPKBA-UHFFFAOYSA-N 2 2 383.518 -0.158 20 0 GBADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000535667570 1072250759 /nfs/dbraw/zinc/25/07/59/1072250759.db2.gz HKSBWSGERSPKBA-UHFFFAOYSA-N 2 2 383.518 -0.158 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000535764748 1072259202 /nfs/dbraw/zinc/25/92/02/1072259202.db2.gz UELOVLBNIZVWKI-DLBZAZTESA-N 2 2 376.505 -0.002 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000535764748 1072259188 /nfs/dbraw/zinc/25/91/88/1072259188.db2.gz UELOVLBNIZVWKI-DLBZAZTESA-N 2 2 376.505 -0.002 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000535764751 1072259320 /nfs/dbraw/zinc/25/93/20/1072259320.db2.gz UELOVLBNIZVWKI-IAGOWNOFSA-N 2 2 376.505 -0.002 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000535764751 1072259305 /nfs/dbraw/zinc/25/93/05/1072259305.db2.gz UELOVLBNIZVWKI-IAGOWNOFSA-N 2 2 376.505 -0.002 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000535764752 1072259269 /nfs/dbraw/zinc/25/92/69/1072259269.db2.gz UELOVLBNIZVWKI-IRXDYDNUSA-N 2 2 376.505 -0.002 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000535764752 1072259261 /nfs/dbraw/zinc/25/92/61/1072259261.db2.gz UELOVLBNIZVWKI-IRXDYDNUSA-N 2 2 376.505 -0.002 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000535764753 1072259042 /nfs/dbraw/zinc/25/90/42/1072259042.db2.gz UELOVLBNIZVWKI-SJORKVTESA-N 2 2 376.505 -0.002 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000535764753 1072259039 /nfs/dbraw/zinc/25/90/39/1072259039.db2.gz UELOVLBNIZVWKI-SJORKVTESA-N 2 2 376.505 -0.002 20 0 GBADLP C[NH+]1CCC(O)(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000536016935 1072459853 /nfs/dbraw/zinc/45/98/53/1072459853.db2.gz HBDDWVQIDVFTNR-UHFFFAOYSA-N 2 2 377.493 -0.646 20 0 GBADLP CCN(CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)S(C)(=O)=O ZINC000536228001 530286557 /nfs/dbraw/zinc/28/65/57/530286557.db2.gz QHHOGTBMXFYHIY-UHFFFAOYSA-N 2 2 377.555 -0.017 20 0 GBADLP COCCN(CCOC)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537032195 530362759 /nfs/dbraw/zinc/36/27/59/530362759.db2.gz APPANOQSSRTEHW-UHFFFAOYSA-N 2 2 380.555 -0.216 20 0 GBADLP COCCN(CCOC)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000537032195 530362756 /nfs/dbraw/zinc/36/27/56/530362756.db2.gz APPANOQSSRTEHW-UHFFFAOYSA-N 2 2 380.555 -0.216 20 0 GBADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000537105063 530363186 /nfs/dbraw/zinc/36/31/86/530363186.db2.gz KSFJKOVPRJENDZ-AWEZNQCLSA-N 2 2 390.531 -0.444 20 0 GBADLP C[C@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000537105064 530363141 /nfs/dbraw/zinc/36/31/41/530363141.db2.gz KSFJKOVPRJENDZ-CQSZACIVSA-N 2 2 390.531 -0.444 20 0 GBADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCN1S(C)(=O)=O ZINC000539577640 530474252 /nfs/dbraw/zinc/47/42/52/530474252.db2.gz ZNRMWIDKCYFEBU-AWEZNQCLSA-N 2 2 375.539 -0.312 20 0 GBADLP CCS(=O)(=O)NCCS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540337101 530145520 /nfs/dbraw/zinc/14/55/20/530145520.db2.gz VBJBANAIBZAAKQ-UHFFFAOYSA-N 2 2 384.568 -0.787 20 0 GBADLP CCS(=O)(=O)NCCS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000540337101 530145518 /nfs/dbraw/zinc/14/55/18/530145518.db2.gz VBJBANAIBZAAKQ-UHFFFAOYSA-N 2 2 384.568 -0.787 20 0 GBADLP C[C@H](CC[NH+]1CCC[C@H](S(N)(=O)=O)C1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441842 530478659 /nfs/dbraw/zinc/47/86/59/530478659.db2.gz VOVOPDZLXWRVHO-HZSPNIEDSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[NH+]1CCC[C@H](S(N)(=O)=O)C1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441842 530478658 /nfs/dbraw/zinc/47/86/58/530478658.db2.gz VOVOPDZLXWRVHO-HZSPNIEDSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1)[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441842 530478657 /nfs/dbraw/zinc/47/86/57/530478657.db2.gz VOVOPDZLXWRVHO-HZSPNIEDSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1)[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441842 530478656 /nfs/dbraw/zinc/47/86/56/530478656.db2.gz VOVOPDZLXWRVHO-HZSPNIEDSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441843 530478917 /nfs/dbraw/zinc/47/89/17/530478917.db2.gz VOVOPDZLXWRVHO-MCIONIFRSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441843 530478916 /nfs/dbraw/zinc/47/89/16/530478916.db2.gz VOVOPDZLXWRVHO-MCIONIFRSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1)[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441843 530478913 /nfs/dbraw/zinc/47/89/13/530478913.db2.gz VOVOPDZLXWRVHO-MCIONIFRSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1)[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441843 530478912 /nfs/dbraw/zinc/47/89/12/530478912.db2.gz VOVOPDZLXWRVHO-MCIONIFRSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441844 530478643 /nfs/dbraw/zinc/47/86/43/530478643.db2.gz VOVOPDZLXWRVHO-MGPQQGTHSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441844 530478642 /nfs/dbraw/zinc/47/86/42/530478642.db2.gz VOVOPDZLXWRVHO-MGPQQGTHSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1)[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441844 530478641 /nfs/dbraw/zinc/47/86/41/530478641.db2.gz VOVOPDZLXWRVHO-MGPQQGTHSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1)[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441844 530478640 /nfs/dbraw/zinc/47/86/40/530478640.db2.gz VOVOPDZLXWRVHO-MGPQQGTHSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[NH+]1CCC[C@H](S(N)(=O)=O)C1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441845 530478752 /nfs/dbraw/zinc/47/87/52/530478752.db2.gz VOVOPDZLXWRVHO-RDBSUJKOSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[NH+]1CCC[C@H](S(N)(=O)=O)C1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441845 530478751 /nfs/dbraw/zinc/47/87/51/530478751.db2.gz VOVOPDZLXWRVHO-RDBSUJKOSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1)[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441845 530478750 /nfs/dbraw/zinc/47/87/50/530478750.db2.gz VOVOPDZLXWRVHO-RDBSUJKOSA-N 2 2 382.552 -0.729 20 0 GBADLP C[C@H](CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1)[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441845 530478748 /nfs/dbraw/zinc/47/87/48/530478748.db2.gz VOVOPDZLXWRVHO-RDBSUJKOSA-N 2 2 382.552 -0.729 20 0 GBADLP CC[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@H+]1C[C@@H](C)O ZINC000544298216 1072980042 /nfs/dbraw/zinc/98/00/42/1072980042.db2.gz ZMISOMJFKXTISL-MOPGFXCFSA-N 2 2 399.580 -0.137 20 0 GBADLP CC[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000544298216 1072980035 /nfs/dbraw/zinc/98/00/35/1072980035.db2.gz ZMISOMJFKXTISL-MOPGFXCFSA-N 2 2 399.580 -0.137 20 0 GBADLP CC[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@H+]1C[C@H](C)O ZINC000544298217 1072979991 /nfs/dbraw/zinc/97/99/91/1072979991.db2.gz ZMISOMJFKXTISL-OALUTQOASA-N 2 2 399.580 -0.137 20 0 GBADLP CC[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1C[C@H](C)O ZINC000544298217 1072979976 /nfs/dbraw/zinc/97/99/76/1072979976.db2.gz ZMISOMJFKXTISL-OALUTQOASA-N 2 2 399.580 -0.137 20 0 GBADLP CC[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@H+]1C[C@H](C)O ZINC000544298218 1072980996 /nfs/dbraw/zinc/98/09/96/1072980996.db2.gz ZMISOMJFKXTISL-RBUKOAKNSA-N 2 2 399.580 -0.137 20 0 GBADLP CC[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1C[C@H](C)O ZINC000544298218 1072980992 /nfs/dbraw/zinc/98/09/92/1072980992.db2.gz ZMISOMJFKXTISL-RBUKOAKNSA-N 2 2 399.580 -0.137 20 0 GBADLP CC[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@H+]1C[C@@H](C)O ZINC000544298219 1072980929 /nfs/dbraw/zinc/98/09/29/1072980929.db2.gz ZMISOMJFKXTISL-RTBURBONSA-N 2 2 399.580 -0.137 20 0 GBADLP CC[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000544298219 1072980922 /nfs/dbraw/zinc/98/09/22/1072980922.db2.gz ZMISOMJFKXTISL-RTBURBONSA-N 2 2 399.580 -0.137 20 0 GBADLP CC(C[NH+]1CCC[C@H](S(N)(=O)=O)C1)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000544397325 530479774 /nfs/dbraw/zinc/47/97/74/530479774.db2.gz DHDLKNOLNIVENY-KBPBESRZSA-N 2 2 382.552 -0.872 20 0 GBADLP CC(C[NH+]1CCC[C@H](S(N)(=O)=O)C1)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000544397325 530479773 /nfs/dbraw/zinc/47/97/73/530479773.db2.gz DHDLKNOLNIVENY-KBPBESRZSA-N 2 2 382.552 -0.872 20 0 GBADLP CC(C[NH+]1CCC[C@@H](S(N)(=O)=O)C1)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000544397326 530479690 /nfs/dbraw/zinc/47/96/90/530479690.db2.gz DHDLKNOLNIVENY-ZIAGYGMSSA-N 2 2 382.552 -0.872 20 0 GBADLP CC(C[NH+]1CCC[C@@H](S(N)(=O)=O)C1)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000544397326 530479687 /nfs/dbraw/zinc/47/96/87/530479687.db2.gz DHDLKNOLNIVENY-ZIAGYGMSSA-N 2 2 382.552 -0.872 20 0 GBADLP C[C@@H](C[NH+]1CCC[C@H](S(N)(=O)=O)C1)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000544397327 530479728 /nfs/dbraw/zinc/47/97/28/530479728.db2.gz DHDLKNOLNIVENY-ZSOGYDGISA-N 2 2 382.552 -0.872 20 0 GBADLP C[C@@H](C[NH+]1CCC[C@H](S(N)(=O)=O)C1)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000544397327 530479727 /nfs/dbraw/zinc/47/97/27/530479727.db2.gz DHDLKNOLNIVENY-ZSOGYDGISA-N 2 2 382.552 -0.872 20 0 GBADLP C[C@H](C[NH+]1CCC[C@@H](S(N)(=O)=O)C1)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000544397327 530479726 /nfs/dbraw/zinc/47/97/26/530479726.db2.gz DHDLKNOLNIVENY-ZSOGYDGISA-N 2 2 382.552 -0.872 20 0 GBADLP C[C@H](C[NH+]1CCC[C@@H](S(N)(=O)=O)C1)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000544397327 530479724 /nfs/dbraw/zinc/47/97/24/530479724.db2.gz DHDLKNOLNIVENY-ZSOGYDGISA-N 2 2 382.552 -0.872 20 0 GBADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCO2)CC1)C[C@H]1CCCO1 ZINC000546228748 1073069487 /nfs/dbraw/zinc/06/94/87/1073069487.db2.gz VQCOBPZUSSJDAD-QZTJIDSGSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCCO2)CC1)C[C@H]1CCCO1 ZINC000546228748 1073069482 /nfs/dbraw/zinc/06/94/82/1073069482.db2.gz VQCOBPZUSSJDAD-QZTJIDSGSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000547716059 530482799 /nfs/dbraw/zinc/48/27/99/530482799.db2.gz DXOHMXOTYCUCEB-UHFFFAOYSA-N 3 2 376.567 -0.004 20 0 GBADLP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1CC(C)(C)O ZINC000548078847 1072444893 /nfs/dbraw/zinc/44/48/93/1072444893.db2.gz MYMWKSLXQXFCER-INIZCTEOSA-N 2 2 394.520 0.524 20 0 GBADLP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000548078847 1072444887 /nfs/dbraw/zinc/44/48/87/1072444887.db2.gz MYMWKSLXQXFCER-INIZCTEOSA-N 2 2 394.520 0.524 20 0 GBADLP C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1CC(C)(C)O ZINC000548078848 1072444792 /nfs/dbraw/zinc/44/47/92/1072444792.db2.gz MYMWKSLXQXFCER-MRXNPFEDSA-N 2 2 394.520 0.524 20 0 GBADLP C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000548078848 1072444788 /nfs/dbraw/zinc/44/47/88/1072444788.db2.gz MYMWKSLXQXFCER-MRXNPFEDSA-N 2 2 394.520 0.524 20 0 GBADLP COCCCNC(=O)[C@H](C)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000549139989 1073134369 /nfs/dbraw/zinc/13/43/69/1073134369.db2.gz OQBVOXBVXVNNMN-KRWDZBQOSA-N 2 2 383.537 -0.691 20 0 GBADLP COCCCNC(=O)[C@@H](C)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000549139990 1073134309 /nfs/dbraw/zinc/13/43/09/1073134309.db2.gz OQBVOXBVXVNNMN-QGZVFWFLSA-N 2 2 383.537 -0.691 20 0 GBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000549875258 1073874089 /nfs/dbraw/zinc/87/40/89/1073874089.db2.gz JBTKJUYSXXLBAB-KRWDZBQOSA-N 2 2 383.537 -0.785 20 0 GBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000549875277 1073873866 /nfs/dbraw/zinc/87/38/66/1073873866.db2.gz JBTKJUYSXXLBAB-QGZVFWFLSA-N 2 2 383.537 -0.785 20 0 GBADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000549883571 1073893587 /nfs/dbraw/zinc/89/35/87/1073893587.db2.gz BQEJJHWMBWGMBJ-UHFFFAOYSA-N 2 2 384.521 -0.358 20 0 GBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000549893038 1073912099 /nfs/dbraw/zinc/91/20/99/1073912099.db2.gz GUZZORZNNDXJGS-UHFFFAOYSA-N 2 2 376.461 -0.844 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000549935895 1073964377 /nfs/dbraw/zinc/96/43/77/1073964377.db2.gz HKRFKXVIPJMIOL-INIZCTEOSA-N 2 2 384.521 -0.481 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000549935896 1073964520 /nfs/dbraw/zinc/96/45/20/1073964520.db2.gz HKRFKXVIPJMIOL-MRXNPFEDSA-N 2 2 384.521 -0.481 20 0 GBADLP COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549960831 1072433381 /nfs/dbraw/zinc/43/33/81/1072433381.db2.gz ZEEPUWLEZWYVFU-UHFFFAOYSA-N 2 2 384.521 -0.168 20 0 GBADLP COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549960831 1072433377 /nfs/dbraw/zinc/43/33/77/1072433377.db2.gz ZEEPUWLEZWYVFU-UHFFFAOYSA-N 2 2 384.521 -0.168 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000549964499 1072514622 /nfs/dbraw/zinc/51/46/22/1072514622.db2.gz JBDAAOAXZMCKQW-UHFFFAOYSA-N 2 2 395.548 -0.010 20 0 GBADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000549986440 1072776430 /nfs/dbraw/zinc/77/64/30/1072776430.db2.gz BYVPAEJAHBJQPX-DOTOQJQBSA-N 2 2 391.516 -0.224 20 0 GBADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000549986440 1072776424 /nfs/dbraw/zinc/77/64/24/1072776424.db2.gz BYVPAEJAHBJQPX-DOTOQJQBSA-N 2 2 391.516 -0.224 20 0 GBADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000549986441 1072776163 /nfs/dbraw/zinc/77/61/63/1072776163.db2.gz BYVPAEJAHBJQPX-NVXWUHKLSA-N 2 2 391.516 -0.224 20 0 GBADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000549986441 1072776150 /nfs/dbraw/zinc/77/61/50/1072776150.db2.gz BYVPAEJAHBJQPX-NVXWUHKLSA-N 2 2 391.516 -0.224 20 0 GBADLP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000549986442 1072776837 /nfs/dbraw/zinc/77/68/37/1072776837.db2.gz BYVPAEJAHBJQPX-RDJZCZTQSA-N 2 2 391.516 -0.224 20 0 GBADLP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000549986442 1072776835 /nfs/dbraw/zinc/77/68/35/1072776835.db2.gz BYVPAEJAHBJQPX-RDJZCZTQSA-N 2 2 391.516 -0.224 20 0 GBADLP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000549986443 1072776667 /nfs/dbraw/zinc/77/66/67/1072776667.db2.gz BYVPAEJAHBJQPX-WBVHZDCISA-N 2 2 391.516 -0.224 20 0 GBADLP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000549986443 1072776656 /nfs/dbraw/zinc/77/66/56/1072776656.db2.gz BYVPAEJAHBJQPX-WBVHZDCISA-N 2 2 391.516 -0.224 20 0 GBADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550082610 1073017021 /nfs/dbraw/zinc/01/70/21/1073017021.db2.gz PTEBUBKBVXKWNB-UHFFFAOYSA-N 2 2 392.504 -0.258 20 0 GBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000550084242 1073016965 /nfs/dbraw/zinc/01/69/65/1073016965.db2.gz LDKLIRLMBXAQOA-CVEARBPZSA-N 2 2 388.516 -0.099 20 0 GBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000550084242 1073016963 /nfs/dbraw/zinc/01/69/63/1073016963.db2.gz LDKLIRLMBXAQOA-CVEARBPZSA-N 2 2 388.516 -0.099 20 0 GBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000550084243 1073016667 /nfs/dbraw/zinc/01/66/67/1073016667.db2.gz LDKLIRLMBXAQOA-HOTGVXAUSA-N 2 2 388.516 -0.099 20 0 GBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000550084243 1073016659 /nfs/dbraw/zinc/01/66/59/1073016659.db2.gz LDKLIRLMBXAQOA-HOTGVXAUSA-N 2 2 388.516 -0.099 20 0 GBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000550084244 1073016925 /nfs/dbraw/zinc/01/69/25/1073016925.db2.gz LDKLIRLMBXAQOA-HZPDHXFCSA-N 2 2 388.516 -0.099 20 0 GBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000550084244 1073016917 /nfs/dbraw/zinc/01/69/17/1073016917.db2.gz LDKLIRLMBXAQOA-HZPDHXFCSA-N 2 2 388.516 -0.099 20 0 GBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000550084245 1073016539 /nfs/dbraw/zinc/01/65/39/1073016539.db2.gz LDKLIRLMBXAQOA-JKSUJKDBSA-N 2 2 388.516 -0.099 20 0 GBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000550084245 1073016531 /nfs/dbraw/zinc/01/65/31/1073016531.db2.gz LDKLIRLMBXAQOA-JKSUJKDBSA-N 2 2 388.516 -0.099 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550096622 1073018413 /nfs/dbraw/zinc/01/84/13/1073018413.db2.gz KURSLRQULNBBTM-DLBZAZTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550096622 1073018406 /nfs/dbraw/zinc/01/84/06/1073018406.db2.gz KURSLRQULNBBTM-DLBZAZTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550096622 1073018402 /nfs/dbraw/zinc/01/84/02/1073018402.db2.gz KURSLRQULNBBTM-DLBZAZTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550096622 1073018393 /nfs/dbraw/zinc/01/83/93/1073018393.db2.gz KURSLRQULNBBTM-DLBZAZTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550096635 1073018827 /nfs/dbraw/zinc/01/88/27/1073018827.db2.gz KURSLRQULNBBTM-IAGOWNOFSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550096635 1073018819 /nfs/dbraw/zinc/01/88/19/1073018819.db2.gz KURSLRQULNBBTM-IAGOWNOFSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550096635 1073018810 /nfs/dbraw/zinc/01/88/10/1073018810.db2.gz KURSLRQULNBBTM-IAGOWNOFSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550096635 1073018800 /nfs/dbraw/zinc/01/88/00/1073018800.db2.gz KURSLRQULNBBTM-IAGOWNOFSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550096637 1073019130 /nfs/dbraw/zinc/01/91/30/1073019130.db2.gz KURSLRQULNBBTM-IRXDYDNUSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550096637 1073019120 /nfs/dbraw/zinc/01/91/20/1073019120.db2.gz KURSLRQULNBBTM-IRXDYDNUSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550096637 1073019112 /nfs/dbraw/zinc/01/91/12/1073019112.db2.gz KURSLRQULNBBTM-IRXDYDNUSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000550096637 1073019103 /nfs/dbraw/zinc/01/91/03/1073019103.db2.gz KURSLRQULNBBTM-IRXDYDNUSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550096638 1073018957 /nfs/dbraw/zinc/01/89/57/1073018957.db2.gz KURSLRQULNBBTM-SJORKVTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550096638 1073018951 /nfs/dbraw/zinc/01/89/51/1073018951.db2.gz KURSLRQULNBBTM-SJORKVTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550096638 1073018948 /nfs/dbraw/zinc/01/89/48/1073018948.db2.gz KURSLRQULNBBTM-SJORKVTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000550096638 1073018942 /nfs/dbraw/zinc/01/89/42/1073018942.db2.gz KURSLRQULNBBTM-SJORKVTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000550098486 1073019194 /nfs/dbraw/zinc/01/91/94/1073019194.db2.gz UTVJMTJRTBVIRH-GOSISDBHSA-N 2 2 397.564 -0.445 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000550098486 1073019189 /nfs/dbraw/zinc/01/91/89/1073019189.db2.gz UTVJMTJRTBVIRH-GOSISDBHSA-N 2 2 397.564 -0.445 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000550098486 1073019183 /nfs/dbraw/zinc/01/91/83/1073019183.db2.gz UTVJMTJRTBVIRH-GOSISDBHSA-N 2 2 397.564 -0.445 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000550098486 1073019175 /nfs/dbraw/zinc/01/91/75/1073019175.db2.gz UTVJMTJRTBVIRH-GOSISDBHSA-N 2 2 397.564 -0.445 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000550098487 1073018718 /nfs/dbraw/zinc/01/87/18/1073018718.db2.gz UTVJMTJRTBVIRH-SFHVURJKSA-N 2 2 397.564 -0.445 20 0 GBADLP 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CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000550358895 1073125107 /nfs/dbraw/zinc/12/51/07/1073125107.db2.gz YPMLYDDARBQROA-SFHVURJKSA-N 2 2 398.548 -0.235 20 0 GBADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000550358895 1073125097 /nfs/dbraw/zinc/12/50/97/1073125097.db2.gz YPMLYDDARBQROA-SFHVURJKSA-N 2 2 398.548 -0.235 20 0 GBADLP CNC(=O)NCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550381301 1073128067 /nfs/dbraw/zinc/12/80/67/1073128067.db2.gz DUSJUIURNDSBAC-UHFFFAOYSA-N 2 2 382.509 -0.998 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000550381727 1073129470 /nfs/dbraw/zinc/12/94/70/1073129470.db2.gz MAAAFALKEDCOSZ-JQHSSLGASA-N 2 2 379.549 -0.027 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000550381727 1073129463 /nfs/dbraw/zinc/12/94/63/1073129463.db2.gz MAAAFALKEDCOSZ-JQHSSLGASA-N 2 2 379.549 -0.027 20 0 GBADLP 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GBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCN(C)CC1 ZINC000550383841 1073129067 /nfs/dbraw/zinc/12/90/67/1073129067.db2.gz VIQPHYSDDQHWPS-OKZBNKHCSA-N 2 2 379.549 -0.073 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000550383841 1073129063 /nfs/dbraw/zinc/12/90/63/1073129063.db2.gz VIQPHYSDDQHWPS-OKZBNKHCSA-N 2 2 379.549 -0.073 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)N1CC[NH+](C)CC1 ZINC000550383841 1073129058 /nfs/dbraw/zinc/12/90/58/1073129058.db2.gz VIQPHYSDDQHWPS-OKZBNKHCSA-N 2 2 379.549 -0.073 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCN(C)CC1 ZINC000550383842 1073129370 /nfs/dbraw/zinc/12/93/70/1073129370.db2.gz VIQPHYSDDQHWPS-SQNIBIBYSA-N 2 2 379.549 -0.073 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCN(C)CC1 ZINC000550383842 1073129369 /nfs/dbraw/zinc/12/93/69/1073129369.db2.gz VIQPHYSDDQHWPS-SQNIBIBYSA-N 2 2 379.549 -0.073 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000550383842 1073129363 /nfs/dbraw/zinc/12/93/63/1073129363.db2.gz VIQPHYSDDQHWPS-SQNIBIBYSA-N 2 2 379.549 -0.073 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000550383842 1073129361 /nfs/dbraw/zinc/12/93/61/1073129361.db2.gz VIQPHYSDDQHWPS-SQNIBIBYSA-N 2 2 379.549 -0.073 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000550456024 1073249690 /nfs/dbraw/zinc/24/96/90/1073249690.db2.gz QJQJGMFIFFQLNW-GOSISDBHSA-N 2 2 397.564 -0.397 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000550456024 1073249688 /nfs/dbraw/zinc/24/96/88/1073249688.db2.gz QJQJGMFIFFQLNW-GOSISDBHSA-N 2 2 397.564 -0.397 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000550456025 1073249488 /nfs/dbraw/zinc/24/94/88/1073249488.db2.gz QJQJGMFIFFQLNW-SFHVURJKSA-N 2 2 397.564 -0.397 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000550456025 1073249484 /nfs/dbraw/zinc/24/94/84/1073249484.db2.gz QJQJGMFIFFQLNW-SFHVURJKSA-N 2 2 397.564 -0.397 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000550456707 1073259613 /nfs/dbraw/zinc/25/96/13/1073259613.db2.gz WSPWJCRKDWSMHP-HNNXBMFYSA-N 2 2 380.493 -0.425 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000550456707 1073259607 /nfs/dbraw/zinc/25/96/07/1073259607.db2.gz WSPWJCRKDWSMHP-HNNXBMFYSA-N 2 2 380.493 -0.425 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000550456708 1073259713 /nfs/dbraw/zinc/25/97/13/1073259713.db2.gz WSPWJCRKDWSMHP-OAHLLOKOSA-N 2 2 380.493 -0.425 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000550456708 1073259704 /nfs/dbraw/zinc/25/97/04/1073259704.db2.gz WSPWJCRKDWSMHP-OAHLLOKOSA-N 2 2 380.493 -0.425 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550458319 1073261208 /nfs/dbraw/zinc/26/12/08/1073261208.db2.gz MQZXKFYECFFEBB-DLBZAZTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550458319 1073261201 /nfs/dbraw/zinc/26/12/01/1073261201.db2.gz MQZXKFYECFFEBB-DLBZAZTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550458319 1073261194 /nfs/dbraw/zinc/26/11/94/1073261194.db2.gz MQZXKFYECFFEBB-DLBZAZTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550458319 1073261188 /nfs/dbraw/zinc/26/11/88/1073261188.db2.gz MQZXKFYECFFEBB-DLBZAZTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550458320 1073260902 /nfs/dbraw/zinc/26/09/02/1073260902.db2.gz MQZXKFYECFFEBB-IAGOWNOFSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550458320 1073260894 /nfs/dbraw/zinc/26/08/94/1073260894.db2.gz MQZXKFYECFFEBB-IAGOWNOFSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550458320 1073260887 /nfs/dbraw/zinc/26/08/87/1073260887.db2.gz MQZXKFYECFFEBB-IAGOWNOFSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550458320 1073260882 /nfs/dbraw/zinc/26/08/82/1073260882.db2.gz MQZXKFYECFFEBB-IAGOWNOFSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550458321 1073261068 /nfs/dbraw/zinc/26/10/68/1073261068.db2.gz MQZXKFYECFFEBB-IRXDYDNUSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550458321 1073261062 /nfs/dbraw/zinc/26/10/62/1073261062.db2.gz MQZXKFYECFFEBB-IRXDYDNUSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550458321 1073261055 /nfs/dbraw/zinc/26/10/55/1073261055.db2.gz MQZXKFYECFFEBB-IRXDYDNUSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000550458321 1073261052 /nfs/dbraw/zinc/26/10/52/1073261052.db2.gz MQZXKFYECFFEBB-IRXDYDNUSA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550458322 1073261161 /nfs/dbraw/zinc/26/11/61/1073261161.db2.gz MQZXKFYECFFEBB-SJORKVTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550458322 1073261156 /nfs/dbraw/zinc/26/11/56/1073261156.db2.gz MQZXKFYECFFEBB-SJORKVTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550458322 1073261153 /nfs/dbraw/zinc/26/11/53/1073261153.db2.gz MQZXKFYECFFEBB-SJORKVTESA-N 2 2 398.548 -0.237 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000550458322 1073261146 /nfs/dbraw/zinc/26/11/46/1073261146.db2.gz MQZXKFYECFFEBB-SJORKVTESA-N 2 2 398.548 -0.237 20 0 GBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000550482846 1073299498 /nfs/dbraw/zinc/29/94/98/1073299498.db2.gz JOXPMRLYLYWRMU-UHFFFAOYSA-N 2 2 395.548 -0.548 20 0 GBADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000550482846 1073299490 /nfs/dbraw/zinc/29/94/90/1073299490.db2.gz JOXPMRLYLYWRMU-UHFFFAOYSA-N 2 2 395.548 -0.548 20 0 GBADLP C[NH+](C)CCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000552362766 530489444 /nfs/dbraw/zinc/48/94/44/530489444.db2.gz LUGSBVFTZNYNPB-UHFFFAOYSA-N 2 2 375.539 -0.645 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000557085393 1072465317 /nfs/dbraw/zinc/46/53/17/1072465317.db2.gz XNTHRUVELXYWRR-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000557085393 1072465315 /nfs/dbraw/zinc/46/53/15/1072465315.db2.gz XNTHRUVELXYWRR-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557131316 1073338609 /nfs/dbraw/zinc/33/86/09/1073338609.db2.gz QORLYDYVXDZYAW-GJZGRUSLSA-N 2 2 396.517 -0.336 20 0 GBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558217041 1072546496 /nfs/dbraw/zinc/54/64/96/1072546496.db2.gz HADDSFZUDKLQIH-ZACQAIPSSA-N 2 2 381.521 -0.892 20 0 GBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558217041 1072546489 /nfs/dbraw/zinc/54/64/89/1072546489.db2.gz HADDSFZUDKLQIH-ZACQAIPSSA-N 2 2 381.521 -0.892 20 0 GBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000558333081 1072560450 /nfs/dbraw/zinc/56/04/50/1072560450.db2.gz SZEMIEOLXHORNU-UHFFFAOYSA-N 2 2 397.564 -0.707 20 0 GBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000558333081 1072560432 /nfs/dbraw/zinc/56/04/32/1072560432.db2.gz SZEMIEOLXHORNU-UHFFFAOYSA-N 2 2 397.564 -0.707 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000560033363 1072354285 /nfs/dbraw/zinc/35/42/85/1072354285.db2.gz NKSQVLDDOFEMJV-HZPDHXFCSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000560033363 1072354275 /nfs/dbraw/zinc/35/42/75/1072354275.db2.gz NKSQVLDDOFEMJV-HZPDHXFCSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000560033366 1072354526 /nfs/dbraw/zinc/35/45/26/1072354526.db2.gz NKSQVLDDOFEMJV-JKSUJKDBSA-N 2 2 382.505 -0.070 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000560033366 1072354515 /nfs/dbraw/zinc/35/45/15/1072354515.db2.gz NKSQVLDDOFEMJV-JKSUJKDBSA-N 2 2 382.505 -0.070 20 0 GBADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563142876 1072285824 /nfs/dbraw/zinc/28/58/24/1072285824.db2.gz QEYCRLUAZKQACR-IBGZPJMESA-N 2 2 385.512 -0.163 20 0 GBADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563142885 1073598411 /nfs/dbraw/zinc/59/84/11/1073598411.db2.gz QEYCRLUAZKQACR-LJQANCHMSA-N 2 2 385.512 -0.163 20 0 GBADLP CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000563429464 530206697 /nfs/dbraw/zinc/20/66/97/530206697.db2.gz OQFSIUXCDDBJEJ-UHFFFAOYSA-N 2 2 379.508 -0.103 20 0 GBADLP CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563429927 530206974 /nfs/dbraw/zinc/20/69/74/530206974.db2.gz OJHRYYAUCANLIG-GFCCVEGCSA-N 2 2 379.508 -0.245 20 0 GBADLP CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563429927 530206973 /nfs/dbraw/zinc/20/69/73/530206973.db2.gz OJHRYYAUCANLIG-GFCCVEGCSA-N 2 2 379.508 -0.245 20 0 GBADLP CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563429928 530206897 /nfs/dbraw/zinc/20/68/97/530206897.db2.gz OJHRYYAUCANLIG-LBPRGKRZSA-N 2 2 379.508 -0.245 20 0 GBADLP CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563429928 530206895 /nfs/dbraw/zinc/20/68/95/530206895.db2.gz OJHRYYAUCANLIG-LBPRGKRZSA-N 2 2 379.508 -0.245 20 0 GBADLP [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)CCN2C1=O ZINC000563548870 1072428944 /nfs/dbraw/zinc/42/89/44/1072428944.db2.gz AQGGMBWENHELIY-CVEARBPZSA-N 2 2 377.514 -0.364 20 0 GBADLP [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)CCN2C1=O ZINC000563548871 1072429135 /nfs/dbraw/zinc/42/91/35/1072429135.db2.gz AQGGMBWENHELIY-HOTGVXAUSA-N 2 2 377.514 -0.364 20 0 GBADLP [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)CCN2C1=O ZINC000563548872 1072429232 /nfs/dbraw/zinc/42/92/32/1072429232.db2.gz AQGGMBWENHELIY-HZPDHXFCSA-N 2 2 377.514 -0.364 20 0 GBADLP [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)CCN2C1=O ZINC000563548873 1072429022 /nfs/dbraw/zinc/42/90/22/1072429022.db2.gz AQGGMBWENHELIY-JKSUJKDBSA-N 2 2 377.514 -0.364 20 0 GBADLP CN(CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000563586041 530208235 /nfs/dbraw/zinc/20/82/35/530208235.db2.gz YYAANKYRFAPIGI-GFCCVEGCSA-N 2 2 375.520 -0.347 20 0 GBADLP CN(CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000563586041 530208234 /nfs/dbraw/zinc/20/82/34/530208234.db2.gz YYAANKYRFAPIGI-GFCCVEGCSA-N 2 2 375.520 -0.347 20 0 GBADLP CN(CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000563586042 530208191 /nfs/dbraw/zinc/20/81/91/530208191.db2.gz YYAANKYRFAPIGI-LBPRGKRZSA-N 2 2 375.520 -0.347 20 0 GBADLP CN(CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000563586042 530208188 /nfs/dbraw/zinc/20/81/88/530208188.db2.gz YYAANKYRFAPIGI-LBPRGKRZSA-N 2 2 375.520 -0.347 20 0 GBADLP C[N@H+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)[C@@H](C[NH3+])C1 ZINC000563798044 530281854 /nfs/dbraw/zinc/28/18/54/530281854.db2.gz LDFLGKOPBNOIOH-JTQLQIEISA-N 2 2 395.938 -0.036 20 0 GBADLP C[N@@H+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)[C@@H](C[NH3+])C1 ZINC000563798044 530281852 /nfs/dbraw/zinc/28/18/52/530281852.db2.gz LDFLGKOPBNOIOH-JTQLQIEISA-N 2 2 395.938 -0.036 20 0 GBADLP C[N@H+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)[C@H](C[NH3+])C1 ZINC000563798050 530281942 /nfs/dbraw/zinc/28/19/42/530281942.db2.gz LDFLGKOPBNOIOH-SNVBAGLBSA-N 2 2 395.938 -0.036 20 0 GBADLP C[N@@H+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)[C@H](C[NH3+])C1 ZINC000563798050 530281941 /nfs/dbraw/zinc/28/19/41/530281941.db2.gz LDFLGKOPBNOIOH-SNVBAGLBSA-N 2 2 395.938 -0.036 20 0 GBADLP C[NH+](C)[C@@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000564100134 530347770 /nfs/dbraw/zinc/34/77/70/530347770.db2.gz BFILRJMPDMHBAH-GFCCVEGCSA-N 2 2 379.508 -0.103 20 0 GBADLP C[NH+](C)[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000564100135 530347524 /nfs/dbraw/zinc/34/75/24/530347524.db2.gz BFILRJMPDMHBAH-LBPRGKRZSA-N 2 2 379.508 -0.103 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000564430600 1072467581 /nfs/dbraw/zinc/46/75/81/1072467581.db2.gz OAUUDYDRHSIKKZ-SJORKVTESA-N 2 2 381.521 -0.051 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000564430600 1072467579 /nfs/dbraw/zinc/46/75/79/1072467579.db2.gz OAUUDYDRHSIKKZ-SJORKVTESA-N 2 2 381.521 -0.051 20 0 GBADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000564725103 1073143846 /nfs/dbraw/zinc/14/38/46/1073143846.db2.gz BYHIAJNYLOTTPP-HNNXBMFYSA-N 2 2 389.566 -0.353 20 0 GBADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000564725104 1073143904 /nfs/dbraw/zinc/14/39/04/1073143904.db2.gz BYHIAJNYLOTTPP-OAHLLOKOSA-N 2 2 389.566 -0.353 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000565071120 530496103 /nfs/dbraw/zinc/49/61/03/530496103.db2.gz VCMGKVYMXYNMTR-AWEZNQCLSA-N 2 2 375.539 -0.312 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000565071120 530496100 /nfs/dbraw/zinc/49/61/00/530496100.db2.gz VCMGKVYMXYNMTR-AWEZNQCLSA-N 2 2 375.539 -0.312 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000565071129 530496204 /nfs/dbraw/zinc/49/62/04/530496204.db2.gz VCMGKVYMXYNMTR-CQSZACIVSA-N 2 2 375.539 -0.312 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000565071129 530496203 /nfs/dbraw/zinc/49/62/03/530496203.db2.gz VCMGKVYMXYNMTR-CQSZACIVSA-N 2 2 375.539 -0.312 20 0 GBADLP CC[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000565843459 530497652 /nfs/dbraw/zinc/49/76/52/530497652.db2.gz PBQZPARLDOOLDI-UHFFFAOYSA-N 2 2 379.508 -0.101 20 0 GBADLP C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000565891484 530497831 /nfs/dbraw/zinc/49/78/31/530497831.db2.gz LNXBKKNJTHENGI-LLVKDONJSA-N 2 2 376.429 -0.266 20 0 GBADLP C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000565891484 530497824 /nfs/dbraw/zinc/49/78/24/530497824.db2.gz LNXBKKNJTHENGI-LLVKDONJSA-N 2 2 376.429 -0.266 20 0 GBADLP C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000565891485 530497684 /nfs/dbraw/zinc/49/76/84/530497684.db2.gz LNXBKKNJTHENGI-NSHDSACASA-N 2 2 376.429 -0.266 20 0 GBADLP C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000565891485 530497683 /nfs/dbraw/zinc/49/76/83/530497683.db2.gz LNXBKKNJTHENGI-NSHDSACASA-N 2 2 376.429 -0.266 20 0 GBADLP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3c[nH+]c[nH]3)C[C@@H]21 ZINC000566487099 530498872 /nfs/dbraw/zinc/49/88/72/530498872.db2.gz MSBXYZFFKUZJGT-OLZOCXBDSA-N 2 2 391.519 -0.103 20 0 GBADLP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3c[nH+]c[nH]3)C[C@@H]21 ZINC000566487099 530498869 /nfs/dbraw/zinc/49/88/69/530498869.db2.gz MSBXYZFFKUZJGT-OLZOCXBDSA-N 2 2 391.519 -0.103 20 0 GBADLP C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000566487913 530499038 /nfs/dbraw/zinc/49/90/38/530499038.db2.gz BXRSCARETMHEDI-TXEJJXNPSA-N 2 2 377.492 -0.635 20 0 GBADLP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000566487913 530499037 /nfs/dbraw/zinc/49/90/37/530499037.db2.gz BXRSCARETMHEDI-TXEJJXNPSA-N 2 2 377.492 -0.635 20 0 GBADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000566487948 530499002 /nfs/dbraw/zinc/49/90/02/530499002.db2.gz RZJXDQDNVBPWFN-NEPJUHHUSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000566487948 530499001 /nfs/dbraw/zinc/49/90/01/530499001.db2.gz RZJXDQDNVBPWFN-NEPJUHHUSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566487956 530499048 /nfs/dbraw/zinc/49/90/48/530499048.db2.gz RZJXDQDNVBPWFN-NWDGAFQWSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566487956 530499047 /nfs/dbraw/zinc/49/90/47/530499047.db2.gz RZJXDQDNVBPWFN-NWDGAFQWSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566487957 530499082 /nfs/dbraw/zinc/49/90/82/530499082.db2.gz RZJXDQDNVBPWFN-RYUDHWBXSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566487957 530499080 /nfs/dbraw/zinc/49/90/80/530499080.db2.gz RZJXDQDNVBPWFN-RYUDHWBXSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566487960 530499020 /nfs/dbraw/zinc/49/90/20/530499020.db2.gz RZJXDQDNVBPWFN-VXGBXAGGSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566487960 530499019 /nfs/dbraw/zinc/49/90/19/530499019.db2.gz RZJXDQDNVBPWFN-VXGBXAGGSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1C ZINC000566488374 530498916 /nfs/dbraw/zinc/49/89/16/530498916.db2.gz WOONEKNNJRRJDY-TXEJJXNPSA-N 2 2 379.508 -0.104 20 0 GBADLP C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H](C)[N@H+]1C ZINC000566488374 530498914 /nfs/dbraw/zinc/49/89/14/530498914.db2.gz WOONEKNNJRRJDY-TXEJJXNPSA-N 2 2 379.508 -0.104 20 0 GBADLP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)C[C@@H]21 ZINC000566488512 530498830 /nfs/dbraw/zinc/49/88/30/530498830.db2.gz GCAYKFPHARVQJE-NEPJUHHUSA-N 2 2 377.492 -0.493 20 0 GBADLP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)C[C@@H]21 ZINC000566488512 530498826 /nfs/dbraw/zinc/49/88/26/530498826.db2.gz GCAYKFPHARVQJE-NEPJUHHUSA-N 2 2 377.492 -0.493 20 0 GBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@@H](C)O1 ZINC000567043681 530500215 /nfs/dbraw/zinc/50/02/15/530500215.db2.gz RZBSADBYABRYOJ-FPCVCCKLSA-N 2 2 378.539 -0.683 20 0 GBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@@H](C)O1 ZINC000567043682 530500345 /nfs/dbraw/zinc/50/03/45/530500345.db2.gz RZBSADBYABRYOJ-KLHDSHLOSA-N 2 2 378.539 -0.683 20 0 GBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000567043683 530500185 /nfs/dbraw/zinc/50/01/85/530500185.db2.gz RZBSADBYABRYOJ-QKPAOTATSA-N 2 2 378.539 -0.683 20 0 GBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000567043683 530500182 /nfs/dbraw/zinc/50/01/82/530500182.db2.gz RZBSADBYABRYOJ-QKPAOTATSA-N 2 2 378.539 -0.683 20 0 GBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000567043684 530500258 /nfs/dbraw/zinc/50/02/58/530500258.db2.gz RZBSADBYABRYOJ-QXSJWSMHSA-N 2 2 378.539 -0.683 20 0 GBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000567043684 530500257 /nfs/dbraw/zinc/50/02/57/530500257.db2.gz RZBSADBYABRYOJ-QXSJWSMHSA-N 2 2 378.539 -0.683 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[NH+](C2CC2)CC1)Nc1c[nH+]c[nH]1 ZINC000567521202 530500973 /nfs/dbraw/zinc/50/09/73/530500973.db2.gz UJWKYBGLDYYXMP-UHFFFAOYSA-N 2 2 377.492 -0.349 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[NH+](CC2CC2)CC1)Nc1c[nH+]c[nH]1 ZINC000568253819 530502568 /nfs/dbraw/zinc/50/25/68/530502568.db2.gz RGAWEECSAATOAY-UHFFFAOYSA-N 2 2 391.519 -0.101 20 0 GBADLP C[N@H+]1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)C2)C1 ZINC000568255167 530502940 /nfs/dbraw/zinc/50/29/40/530502940.db2.gz NPCHUSICICOXDN-AWEZNQCLSA-N 2 2 391.519 -0.101 20 0 GBADLP C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)C2)C1 ZINC000568255167 530502938 /nfs/dbraw/zinc/50/29/38/530502938.db2.gz NPCHUSICICOXDN-AWEZNQCLSA-N 2 2 391.519 -0.101 20 0 GBADLP C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)C2)C1 ZINC000568255168 530502783 /nfs/dbraw/zinc/50/27/83/530502783.db2.gz NPCHUSICICOXDN-CQSZACIVSA-N 2 2 391.519 -0.101 20 0 GBADLP 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O=C1NC(=O)C2(CCC([NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)N1 ZINC000579872241 1072224244 /nfs/dbraw/zinc/22/42/44/1072224244.db2.gz RHKXVLDAHLJOOE-FVRSWCFKSA-N 2 2 379.461 -0.970 20 0 GBADLP O=C1NC(=O)C2(CCC([NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)N1 ZINC000579872242 1072224445 /nfs/dbraw/zinc/22/44/45/1072224445.db2.gz RHKXVLDAHLJOOE-TXKKKEFDSA-N 2 2 379.461 -0.970 20 0 GBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000579947573 1072322936 /nfs/dbraw/zinc/32/29/36/1072322936.db2.gz TWFXGNRSMKJHCS-AWEZNQCLSA-N 2 2 377.445 -0.483 20 0 GBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000579947574 1072323517 /nfs/dbraw/zinc/32/35/17/1072323517.db2.gz TWFXGNRSMKJHCS-CQSZACIVSA-N 2 2 377.445 -0.483 20 0 GBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974671 530102625 /nfs/dbraw/zinc/10/26/25/530102625.db2.gz SKEXSFYJPKTDNS-CVEARBPZSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974671 530102624 /nfs/dbraw/zinc/10/26/24/530102624.db2.gz SKEXSFYJPKTDNS-CVEARBPZSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974671 530102623 /nfs/dbraw/zinc/10/26/23/530102623.db2.gz SKEXSFYJPKTDNS-CVEARBPZSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974671 530102622 /nfs/dbraw/zinc/10/26/22/530102622.db2.gz SKEXSFYJPKTDNS-CVEARBPZSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974672 530102530 /nfs/dbraw/zinc/10/25/30/530102530.db2.gz SKEXSFYJPKTDNS-HOTGVXAUSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974672 530102529 /nfs/dbraw/zinc/10/25/29/530102529.db2.gz SKEXSFYJPKTDNS-HOTGVXAUSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974672 530102528 /nfs/dbraw/zinc/10/25/28/530102528.db2.gz SKEXSFYJPKTDNS-HOTGVXAUSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974672 530102527 /nfs/dbraw/zinc/10/25/27/530102527.db2.gz SKEXSFYJPKTDNS-HOTGVXAUSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974673 530102521 /nfs/dbraw/zinc/10/25/21/530102521.db2.gz SKEXSFYJPKTDNS-HZPDHXFCSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974673 530102519 /nfs/dbraw/zinc/10/25/19/530102519.db2.gz SKEXSFYJPKTDNS-HZPDHXFCSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974673 530102517 /nfs/dbraw/zinc/10/25/17/530102517.db2.gz SKEXSFYJPKTDNS-HZPDHXFCSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974673 530102515 /nfs/dbraw/zinc/10/25/15/530102515.db2.gz SKEXSFYJPKTDNS-HZPDHXFCSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974674 530102780 /nfs/dbraw/zinc/10/27/80/530102780.db2.gz SKEXSFYJPKTDNS-JKSUJKDBSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974674 530102779 /nfs/dbraw/zinc/10/27/79/530102779.db2.gz SKEXSFYJPKTDNS-JKSUJKDBSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974674 530102777 /nfs/dbraw/zinc/10/27/77/530102777.db2.gz SKEXSFYJPKTDNS-JKSUJKDBSA-N 2 2 379.523 -0.948 20 0 GBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974674 530102776 /nfs/dbraw/zinc/10/27/76/530102776.db2.gz SKEXSFYJPKTDNS-JKSUJKDBSA-N 2 2 379.523 -0.948 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000580001741 1072346189 /nfs/dbraw/zinc/34/61/89/1072346189.db2.gz RPDBBCMFZGKFKG-QLFBSQMISA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000580001741 1072346179 /nfs/dbraw/zinc/34/61/79/1072346179.db2.gz RPDBBCMFZGKFKG-QLFBSQMISA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000580001741 1072346171 /nfs/dbraw/zinc/34/61/71/1072346171.db2.gz RPDBBCMFZGKFKG-QLFBSQMISA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000580001741 1072346163 /nfs/dbraw/zinc/34/61/63/1072346163.db2.gz RPDBBCMFZGKFKG-QLFBSQMISA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000580001742 1072345803 /nfs/dbraw/zinc/34/58/03/1072345803.db2.gz RPDBBCMFZGKFKG-RBSFLKMASA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000580001742 1072345799 /nfs/dbraw/zinc/34/57/99/1072345799.db2.gz RPDBBCMFZGKFKG-RBSFLKMASA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000580001742 1072345795 /nfs/dbraw/zinc/34/57/95/1072345795.db2.gz RPDBBCMFZGKFKG-RBSFLKMASA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000580001742 1072345791 /nfs/dbraw/zinc/34/57/91/1072345791.db2.gz RPDBBCMFZGKFKG-RBSFLKMASA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@H](C)C1 ZINC000580001743 1072345947 /nfs/dbraw/zinc/34/59/47/1072345947.db2.gz RPDBBCMFZGKFKG-RRFJBIMHSA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000580001743 1072345943 /nfs/dbraw/zinc/34/59/43/1072345943.db2.gz RPDBBCMFZGKFKG-RRFJBIMHSA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000580001743 1072345935 /nfs/dbraw/zinc/34/59/35/1072345935.db2.gz RPDBBCMFZGKFKG-RRFJBIMHSA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000580001743 1072345925 /nfs/dbraw/zinc/34/59/25/1072345925.db2.gz RPDBBCMFZGKFKG-RRFJBIMHSA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@@H](C)C1 ZINC000580001744 1072345848 /nfs/dbraw/zinc/34/58/48/1072345848.db2.gz RPDBBCMFZGKFKG-SOUVJXGZSA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000580001744 1072345842 /nfs/dbraw/zinc/34/58/42/1072345842.db2.gz RPDBBCMFZGKFKG-SOUVJXGZSA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000580001744 1072345834 /nfs/dbraw/zinc/34/58/34/1072345834.db2.gz RPDBBCMFZGKFKG-SOUVJXGZSA-N 2 2 380.489 -0.176 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000580001744 1072345827 /nfs/dbraw/zinc/34/58/27/1072345827.db2.gz RPDBBCMFZGKFKG-SOUVJXGZSA-N 2 2 380.489 -0.176 20 0 GBADLP Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000580053077 530126066 /nfs/dbraw/zinc/12/60/66/530126066.db2.gz VGSQJYMFNHVDJF-GFCCVEGCSA-N 2 2 375.520 -0.381 20 0 GBADLP Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000580053077 530126065 /nfs/dbraw/zinc/12/60/65/530126065.db2.gz VGSQJYMFNHVDJF-GFCCVEGCSA-N 2 2 375.520 -0.381 20 0 GBADLP Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000580053078 530126086 /nfs/dbraw/zinc/12/60/86/530126086.db2.gz VGSQJYMFNHVDJF-LBPRGKRZSA-N 2 2 375.520 -0.381 20 0 GBADLP Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000580053078 530126084 /nfs/dbraw/zinc/12/60/84/530126084.db2.gz VGSQJYMFNHVDJF-LBPRGKRZSA-N 2 2 375.520 -0.381 20 0 GBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000580104918 1072422489 /nfs/dbraw/zinc/42/24/89/1072422489.db2.gz JZEVAVIMJLTLGW-UHFFFAOYSA-N 2 2 392.504 -0.208 20 0 GBADLP CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000580120717 1072423566 /nfs/dbraw/zinc/42/35/66/1072423566.db2.gz IOFJVSJUGVAQAP-UHFFFAOYSA-N 2 2 383.537 -0.251 20 0 GBADLP CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000580120717 1072423561 /nfs/dbraw/zinc/42/35/61/1072423561.db2.gz IOFJVSJUGVAQAP-UHFFFAOYSA-N 2 2 383.537 -0.251 20 0 GBADLP CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000580300493 530134724 /nfs/dbraw/zinc/13/47/24/530134724.db2.gz URXCTBHTTAUJKZ-HNNXBMFYSA-N 2 2 375.539 -0.279 20 0 GBADLP CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000580300493 530134722 /nfs/dbraw/zinc/13/47/22/530134722.db2.gz URXCTBHTTAUJKZ-HNNXBMFYSA-N 2 2 375.539 -0.279 20 0 GBADLP CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000580300494 530134849 /nfs/dbraw/zinc/13/48/49/530134849.db2.gz URXCTBHTTAUJKZ-OAHLLOKOSA-N 2 2 375.539 -0.279 20 0 GBADLP CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000580300494 530134846 /nfs/dbraw/zinc/13/48/46/530134846.db2.gz URXCTBHTTAUJKZ-OAHLLOKOSA-N 2 2 375.539 -0.279 20 0 GBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)C1 ZINC000580306851 1072442512 /nfs/dbraw/zinc/44/25/12/1072442512.db2.gz HZKGKKCUJFATKY-INIZCTEOSA-N 2 2 381.521 -0.051 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)C1 ZINC000580306851 1072442507 /nfs/dbraw/zinc/44/25/07/1072442507.db2.gz HZKGKKCUJFATKY-INIZCTEOSA-N 2 2 381.521 -0.051 20 0 GBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)C1 ZINC000580306852 1072442259 /nfs/dbraw/zinc/44/22/59/1072442259.db2.gz HZKGKKCUJFATKY-MRXNPFEDSA-N 2 2 381.521 -0.051 20 0 GBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)C1 ZINC000580306852 1072442258 /nfs/dbraw/zinc/44/22/58/1072442258.db2.gz HZKGKKCUJFATKY-MRXNPFEDSA-N 2 2 381.521 -0.051 20 0 GBADLP CCNC(=O)COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000580329329 1073285585 /nfs/dbraw/zinc/28/55/85/1073285585.db2.gz TZDFMRUNBKZYDI-CABCVRRESA-N 2 2 376.457 -0.046 20 0 GBADLP CCNC(=O)COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000580329329 1073285576 /nfs/dbraw/zinc/28/55/76/1073285576.db2.gz TZDFMRUNBKZYDI-CABCVRRESA-N 2 2 376.457 -0.046 20 0 GBADLP CCNC(=O)COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000580329330 1072445675 /nfs/dbraw/zinc/44/56/75/1072445675.db2.gz TZDFMRUNBKZYDI-GJZGRUSLSA-N 2 2 376.457 -0.046 20 0 GBADLP CCNC(=O)COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000580329330 1072445671 /nfs/dbraw/zinc/44/56/71/1072445671.db2.gz TZDFMRUNBKZYDI-GJZGRUSLSA-N 2 2 376.457 -0.046 20 0 GBADLP CCNC(=O)COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000580329331 1072445415 /nfs/dbraw/zinc/44/54/15/1072445415.db2.gz TZDFMRUNBKZYDI-HUUCEWRRSA-N 2 2 376.457 -0.046 20 0 GBADLP CCNC(=O)COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000580329331 1072445400 /nfs/dbraw/zinc/44/54/00/1072445400.db2.gz TZDFMRUNBKZYDI-HUUCEWRRSA-N 2 2 376.457 -0.046 20 0 GBADLP CCNC(=O)COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000580329332 1072445743 /nfs/dbraw/zinc/44/57/43/1072445743.db2.gz TZDFMRUNBKZYDI-LSDHHAIUSA-N 2 2 376.457 -0.046 20 0 GBADLP CCNC(=O)COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000580329332 1072445740 /nfs/dbraw/zinc/44/57/40/1072445740.db2.gz TZDFMRUNBKZYDI-LSDHHAIUSA-N 2 2 376.457 -0.046 20 0 GBADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000580413490 1072460183 /nfs/dbraw/zinc/46/01/83/1072460183.db2.gz JWAYOQUBFSOFOZ-HOTGVXAUSA-N 2 2 377.489 -0.039 20 0 GBADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000580413491 1072460167 /nfs/dbraw/zinc/46/01/67/1072460167.db2.gz JWAYOQUBFSOFOZ-JKSUJKDBSA-N 2 2 377.489 -0.039 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000580666654 1072479511 /nfs/dbraw/zinc/47/95/11/1072479511.db2.gz ZRRGYPYPZULDOW-KRWDZBQOSA-N 2 2 383.537 -0.833 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000580666654 1072479507 /nfs/dbraw/zinc/47/95/07/1072479507.db2.gz ZRRGYPYPZULDOW-KRWDZBQOSA-N 2 2 383.537 -0.833 20 0 GBADLP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000580666655 1072479270 /nfs/dbraw/zinc/47/92/70/1072479270.db2.gz ZRRGYPYPZULDOW-QGZVFWFLSA-N 2 2 383.537 -0.833 20 0 GBADLP C[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000580666655 1072479252 /nfs/dbraw/zinc/47/92/52/1072479252.db2.gz ZRRGYPYPZULDOW-QGZVFWFLSA-N 2 2 383.537 -0.833 20 0 GBADLP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000580768464 1072492979 /nfs/dbraw/zinc/49/29/79/1072492979.db2.gz HBPUXMDYIWDMIC-CVEARBPZSA-N 2 2 377.489 -0.894 20 0 GBADLP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000580768464 1072492972 /nfs/dbraw/zinc/49/29/72/1072492972.db2.gz HBPUXMDYIWDMIC-CVEARBPZSA-N 2 2 377.489 -0.894 20 0 GBADLP O=C(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000580768465 1072493116 /nfs/dbraw/zinc/49/31/16/1072493116.db2.gz HBPUXMDYIWDMIC-HOTGVXAUSA-N 2 2 377.489 -0.894 20 0 GBADLP O=C(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000580768465 1072493113 /nfs/dbraw/zinc/49/31/13/1072493113.db2.gz HBPUXMDYIWDMIC-HOTGVXAUSA-N 2 2 377.489 -0.894 20 0 GBADLP O=C(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000580768466 1072493227 /nfs/dbraw/zinc/49/32/27/1072493227.db2.gz HBPUXMDYIWDMIC-HZPDHXFCSA-N 2 2 377.489 -0.894 20 0 GBADLP O=C(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000580768466 1072493225 /nfs/dbraw/zinc/49/32/25/1072493225.db2.gz HBPUXMDYIWDMIC-HZPDHXFCSA-N 2 2 377.489 -0.894 20 0 GBADLP O=C(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000580768467 1072492896 /nfs/dbraw/zinc/49/28/96/1072492896.db2.gz HBPUXMDYIWDMIC-JKSUJKDBSA-N 2 2 377.489 -0.894 20 0 GBADLP O=C(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000580768467 1072492887 /nfs/dbraw/zinc/49/28/87/1072492887.db2.gz HBPUXMDYIWDMIC-JKSUJKDBSA-N 2 2 377.489 -0.894 20 0 GBADLP CC[NH2+]CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580822841 1072503082 /nfs/dbraw/zinc/50/30/82/1072503082.db2.gz NGWLGZUGIOKSMP-UHFFFAOYSA-N 2 2 398.533 -0.168 20 0 GBADLP [NH3+][C@H]1C[C@@H]2CN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000580845349 1072507303 /nfs/dbraw/zinc/50/73/03/1072507303.db2.gz XFSCEPOJEXDDSC-MSOLQXFVSA-N 2 2 387.484 -0.299 20 0 GBADLP [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000580845353 1072506644 /nfs/dbraw/zinc/50/66/44/1072506644.db2.gz XFSCEPOJEXDDSC-QZTJIDSGSA-N 2 2 387.484 -0.299 20 0 GBADLP [NH3+][C@H]1C[C@H]2CN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000580845354 1072506480 /nfs/dbraw/zinc/50/64/80/1072506480.db2.gz XFSCEPOJEXDDSC-ROUUACIJSA-N 2 2 387.484 -0.299 20 0 GBADLP [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000580845355 1072506852 /nfs/dbraw/zinc/50/68/52/1072506852.db2.gz XFSCEPOJEXDDSC-ZWKOTPCHSA-N 2 2 387.484 -0.299 20 0 GBADLP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000580867990 1072507820 /nfs/dbraw/zinc/50/78/20/1072507820.db2.gz XJDRPODPGOSWPP-UHFFFAOYSA-N 2 2 394.516 -0.367 20 0 GBADLP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1=O ZINC000580908474 1072513170 /nfs/dbraw/zinc/51/31/70/1072513170.db2.gz RQCFASNYVRHLHF-AEFFLSMTSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1=O ZINC000580908474 1072513162 /nfs/dbraw/zinc/51/31/62/1072513162.db2.gz RQCFASNYVRHLHF-AEFFLSMTSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1=O ZINC000580908474 1072513158 /nfs/dbraw/zinc/51/31/58/1072513158.db2.gz RQCFASNYVRHLHF-AEFFLSMTSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1=O ZINC000580908474 1072513149 /nfs/dbraw/zinc/51/31/49/1072513149.db2.gz RQCFASNYVRHLHF-AEFFLSMTSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1=O ZINC000580908480 1072513514 /nfs/dbraw/zinc/51/35/14/1072513514.db2.gz RQCFASNYVRHLHF-FUHWJXTLSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1=O ZINC000580908480 1072513507 /nfs/dbraw/zinc/51/35/07/1072513507.db2.gz RQCFASNYVRHLHF-FUHWJXTLSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1=O ZINC000580908480 1072513496 /nfs/dbraw/zinc/51/34/96/1072513496.db2.gz RQCFASNYVRHLHF-FUHWJXTLSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1=O ZINC000580908480 1072513485 /nfs/dbraw/zinc/51/34/85/1072513485.db2.gz RQCFASNYVRHLHF-FUHWJXTLSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1=O ZINC000580908481 1072513120 /nfs/dbraw/zinc/51/31/20/1072513120.db2.gz RQCFASNYVRHLHF-SJLPKXTDSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[NH+](C)CCN1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1=O ZINC000580908481 1072513115 /nfs/dbraw/zinc/51/31/15/1072513115.db2.gz RQCFASNYVRHLHF-SJLPKXTDSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1=O ZINC000580908481 1072513113 /nfs/dbraw/zinc/51/31/13/1072513113.db2.gz RQCFASNYVRHLHF-SJLPKXTDSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1=O ZINC000580908481 1072513110 /nfs/dbraw/zinc/51/31/10/1072513110.db2.gz RQCFASNYVRHLHF-SJLPKXTDSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1=O ZINC000580908482 1072514051 /nfs/dbraw/zinc/51/40/51/1072514051.db2.gz RQCFASNYVRHLHF-WMZOPIPTSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[NH+](C)CCN1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1=O ZINC000580908482 1072514043 /nfs/dbraw/zinc/51/40/43/1072514043.db2.gz RQCFASNYVRHLHF-WMZOPIPTSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1=O ZINC000580908482 1072514033 /nfs/dbraw/zinc/51/40/33/1072514033.db2.gz RQCFASNYVRHLHF-WMZOPIPTSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1=O ZINC000580908482 1072514025 /nfs/dbraw/zinc/51/40/25/1072514025.db2.gz RQCFASNYVRHLHF-WMZOPIPTSA-N 2 2 396.532 -0.075 20 0 GBADLP CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000581001387 1072530719 /nfs/dbraw/zinc/53/07/19/1072530719.db2.gz ROYWAARWXSHBTH-GOSISDBHSA-N 2 2 389.500 -0.764 20 0 GBADLP CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000581001389 1072531143 /nfs/dbraw/zinc/53/11/43/1072531143.db2.gz ROYWAARWXSHBTH-SFHVURJKSA-N 2 2 389.500 -0.764 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000581013819 1072531300 /nfs/dbraw/zinc/53/13/00/1072531300.db2.gz DWAJYJTVZMUDFN-HNNXBMFYSA-N 2 2 387.550 -0.122 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000581013824 1072530492 /nfs/dbraw/zinc/53/04/92/1072530492.db2.gz DWAJYJTVZMUDFN-OAHLLOKOSA-N 2 2 387.550 -0.122 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000581061168 1072533577 /nfs/dbraw/zinc/53/35/77/1072533577.db2.gz QXYHLELQJJRZJX-HNNXBMFYSA-N 2 2 396.517 -0.415 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000581357292 1072570665 /nfs/dbraw/zinc/57/06/65/1072570665.db2.gz GDHCXGYHIQDPHY-INIZCTEOSA-N 2 2 382.505 -0.511 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000581357293 1072570698 /nfs/dbraw/zinc/57/06/98/1072570698.db2.gz GDHCXGYHIQDPHY-MRXNPFEDSA-N 2 2 382.505 -0.511 20 0 GBADLP CC(C)[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000581359856 1072570139 /nfs/dbraw/zinc/57/01/39/1072570139.db2.gz WZOCVAOWONPXRR-UHFFFAOYSA-N 2 2 390.554 -0.806 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000581840333 1072176612 /nfs/dbraw/zinc/17/66/12/1072176612.db2.gz DXGSXWQBJIBOLR-CYBMUJFWSA-N 2 2 398.471 -0.635 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000581840333 1072176605 /nfs/dbraw/zinc/17/66/05/1072176605.db2.gz DXGSXWQBJIBOLR-CYBMUJFWSA-N 2 2 398.471 -0.635 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000581840334 1072176534 /nfs/dbraw/zinc/17/65/34/1072176534.db2.gz DXGSXWQBJIBOLR-ZDUSSCGKSA-N 2 2 398.471 -0.635 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000581840334 1072176528 /nfs/dbraw/zinc/17/65/28/1072176528.db2.gz DXGSXWQBJIBOLR-ZDUSSCGKSA-N 2 2 398.471 -0.635 20 0 GBADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000581907395 1072195232 /nfs/dbraw/zinc/19/52/32/1072195232.db2.gz NDMBAGNSYZACML-CYBMUJFWSA-N 2 2 382.509 -0.947 20 0 GBADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000581907395 1072195231 /nfs/dbraw/zinc/19/52/31/1072195231.db2.gz NDMBAGNSYZACML-CYBMUJFWSA-N 2 2 382.509 -0.947 20 0 GBADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000581907396 1072195162 /nfs/dbraw/zinc/19/51/62/1072195162.db2.gz NDMBAGNSYZACML-ZDUSSCGKSA-N 2 2 382.509 -0.947 20 0 GBADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000581907396 1072195159 /nfs/dbraw/zinc/19/51/59/1072195159.db2.gz NDMBAGNSYZACML-ZDUSSCGKSA-N 2 2 382.509 -0.947 20 0 GBADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581970539 1072209740 /nfs/dbraw/zinc/20/97/40/1072209740.db2.gz HDAPWMIHSKFKSK-DLBZAZTESA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581970540 1072210125 /nfs/dbraw/zinc/21/01/25/1072210125.db2.gz HDAPWMIHSKFKSK-IAGOWNOFSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581970541 1072209997 /nfs/dbraw/zinc/20/99/97/1072209997.db2.gz HDAPWMIHSKFKSK-IRXDYDNUSA-N 2 2 382.505 -0.870 20 0 GBADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581970542 1072209921 /nfs/dbraw/zinc/20/99/21/1072209921.db2.gz HDAPWMIHSKFKSK-SJORKVTESA-N 2 2 382.505 -0.870 20 0 GBADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000581993129 1072248246 /nfs/dbraw/zinc/24/82/46/1072248246.db2.gz NMEHQIMLGPQSEH-IAOVAPTHSA-N 2 2 395.454 -0.073 20 0 GBADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000581993129 1072248239 /nfs/dbraw/zinc/24/82/39/1072248239.db2.gz NMEHQIMLGPQSEH-IAOVAPTHSA-N 2 2 395.454 -0.073 20 0 GBADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000581993130 1072247945 /nfs/dbraw/zinc/24/79/45/1072247945.db2.gz NMEHQIMLGPQSEH-KBRIMQKVSA-N 2 2 395.454 -0.073 20 0 GBADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000581993130 1072247941 /nfs/dbraw/zinc/24/79/41/1072247941.db2.gz NMEHQIMLGPQSEH-KBRIMQKVSA-N 2 2 395.454 -0.073 20 0 GBADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000581993131 1072248208 /nfs/dbraw/zinc/24/82/08/1072248208.db2.gz NMEHQIMLGPQSEH-XKQJLSEDSA-N 2 2 395.454 -0.073 20 0 GBADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000581993131 1072248201 /nfs/dbraw/zinc/24/82/01/1072248201.db2.gz NMEHQIMLGPQSEH-XKQJLSEDSA-N 2 2 395.454 -0.073 20 0 GBADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000581993132 1072247976 /nfs/dbraw/zinc/24/79/76/1072247976.db2.gz NMEHQIMLGPQSEH-XYPHTWIQSA-N 2 2 395.454 -0.073 20 0 GBADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000581993132 1072247972 /nfs/dbraw/zinc/24/79/72/1072247972.db2.gz NMEHQIMLGPQSEH-XYPHTWIQSA-N 2 2 395.454 -0.073 20 0 GBADLP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000582053153 1072307356 /nfs/dbraw/zinc/30/73/56/1072307356.db2.gz NECPUZKOIKCIOY-GOSISDBHSA-N 2 2 396.532 -0.214 20 0 GBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582074300 1072310362 /nfs/dbraw/zinc/31/03/62/1072310362.db2.gz OLBRQVMIQQFHGY-INIZCTEOSA-N 2 2 376.457 -0.508 20 0 GBADLP C[C@@H](CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000582261181 1072329092 /nfs/dbraw/zinc/32/90/92/1072329092.db2.gz DSIUNISPYJWGHO-DLBZAZTESA-N 2 2 384.521 -0.481 20 0 GBADLP C[C@H](CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000582261182 1072329583 /nfs/dbraw/zinc/32/95/83/1072329583.db2.gz DSIUNISPYJWGHO-IAGOWNOFSA-N 2 2 384.521 -0.481 20 0 GBADLP C[C@@H](CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000582261183 1072329985 /nfs/dbraw/zinc/32/99/85/1072329985.db2.gz DSIUNISPYJWGHO-IRXDYDNUSA-N 2 2 384.521 -0.481 20 0 GBADLP C[C@H](CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000582261184 1072329937 /nfs/dbraw/zinc/32/99/37/1072329937.db2.gz DSIUNISPYJWGHO-SJORKVTESA-N 2 2 384.521 -0.481 20 0 GBADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000582323593 1072336541 /nfs/dbraw/zinc/33/65/41/1072336541.db2.gz HOLZJIJEZVIFIS-UHFFFAOYSA-N 2 2 384.521 -0.217 20 0 GBADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000582376366 1072343733 /nfs/dbraw/zinc/34/37/33/1072343733.db2.gz MUNDSNQNDWZXFB-UHFFFAOYSA-N 3 2 397.564 -0.302 20 0 GBADLP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000582418481 1072351615 /nfs/dbraw/zinc/35/16/15/1072351615.db2.gz ZZHAENVWKAVZKP-CVEARBPZSA-N 2 2 390.488 -0.223 20 0 GBADLP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000582418481 1072351606 /nfs/dbraw/zinc/35/16/06/1072351606.db2.gz ZZHAENVWKAVZKP-CVEARBPZSA-N 2 2 390.488 -0.223 20 0 GBADLP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000582418482 1072351485 /nfs/dbraw/zinc/35/14/85/1072351485.db2.gz ZZHAENVWKAVZKP-HOTGVXAUSA-N 2 2 390.488 -0.223 20 0 GBADLP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000582418482 1072351472 /nfs/dbraw/zinc/35/14/72/1072351472.db2.gz ZZHAENVWKAVZKP-HOTGVXAUSA-N 2 2 390.488 -0.223 20 0 GBADLP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000582418483 1072351545 /nfs/dbraw/zinc/35/15/45/1072351545.db2.gz ZZHAENVWKAVZKP-HZPDHXFCSA-N 2 2 390.488 -0.223 20 0 GBADLP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000582418483 1072351534 /nfs/dbraw/zinc/35/15/34/1072351534.db2.gz ZZHAENVWKAVZKP-HZPDHXFCSA-N 2 2 390.488 -0.223 20 0 GBADLP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000582418484 1072352251 /nfs/dbraw/zinc/35/22/51/1072352251.db2.gz ZZHAENVWKAVZKP-JKSUJKDBSA-N 2 2 390.488 -0.223 20 0 GBADLP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000582418484 1072352247 /nfs/dbraw/zinc/35/22/47/1072352247.db2.gz ZZHAENVWKAVZKP-JKSUJKDBSA-N 2 2 390.488 -0.223 20 0 GBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582476385 1072359754 /nfs/dbraw/zinc/35/97/54/1072359754.db2.gz XKTGXYYPSKOMFV-INIZCTEOSA-N 2 2 381.521 -0.049 20 0 GBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582476385 1072359745 /nfs/dbraw/zinc/35/97/45/1072359745.db2.gz XKTGXYYPSKOMFV-INIZCTEOSA-N 2 2 381.521 -0.049 20 0 GBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582476388 1072360142 /nfs/dbraw/zinc/36/01/42/1072360142.db2.gz XKTGXYYPSKOMFV-MRXNPFEDSA-N 2 2 381.521 -0.049 20 0 GBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582476388 1072360133 /nfs/dbraw/zinc/36/01/33/1072360133.db2.gz XKTGXYYPSKOMFV-MRXNPFEDSA-N 2 2 381.521 -0.049 20 0 GBADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000582481442 1072360822 /nfs/dbraw/zinc/36/08/22/1072360822.db2.gz GDDSUXLPYRSRNB-DLBZAZTESA-N 2 2 394.516 -0.321 20 0 GBADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000582481442 1072360813 /nfs/dbraw/zinc/36/08/13/1072360813.db2.gz GDDSUXLPYRSRNB-DLBZAZTESA-N 2 2 394.516 -0.321 20 0 GBADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000582481445 1072360619 /nfs/dbraw/zinc/36/06/19/1072360619.db2.gz GDDSUXLPYRSRNB-IAGOWNOFSA-N 2 2 394.516 -0.321 20 0 GBADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000582481445 1072360607 /nfs/dbraw/zinc/36/06/07/1072360607.db2.gz GDDSUXLPYRSRNB-IAGOWNOFSA-N 2 2 394.516 -0.321 20 0 GBADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000582481446 1072361053 /nfs/dbraw/zinc/36/10/53/1072361053.db2.gz GDDSUXLPYRSRNB-IRXDYDNUSA-N 2 2 394.516 -0.321 20 0 GBADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000582481446 1072361039 /nfs/dbraw/zinc/36/10/39/1072361039.db2.gz GDDSUXLPYRSRNB-IRXDYDNUSA-N 2 2 394.516 -0.321 20 0 GBADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000582481448 1072360894 /nfs/dbraw/zinc/36/08/94/1072360894.db2.gz GDDSUXLPYRSRNB-SJORKVTESA-N 2 2 394.516 -0.321 20 0 GBADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000582481448 1072360890 /nfs/dbraw/zinc/36/08/90/1072360890.db2.gz GDDSUXLPYRSRNB-SJORKVTESA-N 2 2 394.516 -0.321 20 0 GBADLP C[NH+](C)[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1O ZINC000582555044 1072367280 /nfs/dbraw/zinc/36/72/80/1072367280.db2.gz ZPHBGVQQLWDJCV-OALUTQOASA-N 2 2 376.501 -0.258 20 0 GBADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000582564531 1072368204 /nfs/dbraw/zinc/36/82/04/1072368204.db2.gz UYYVBWXJDFAQRL-UHFFFAOYSA-N 2 2 384.521 -0.217 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000582596958 1072372528 /nfs/dbraw/zinc/37/25/28/1072372528.db2.gz MJGUFUOUYZORMV-INIZCTEOSA-N 2 2 387.484 -0.733 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000582596958 1072372522 /nfs/dbraw/zinc/37/25/22/1072372522.db2.gz MJGUFUOUYZORMV-INIZCTEOSA-N 2 2 387.484 -0.733 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000582596959 1072372003 /nfs/dbraw/zinc/37/20/03/1072372003.db2.gz MJGUFUOUYZORMV-MRXNPFEDSA-N 2 2 387.484 -0.733 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000582596959 1072371988 /nfs/dbraw/zinc/37/19/88/1072371988.db2.gz MJGUFUOUYZORMV-MRXNPFEDSA-N 2 2 387.484 -0.733 20 0 GBADLP CCC(=O)N1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000582627074 1072377235 /nfs/dbraw/zinc/37/72/35/1072377235.db2.gz LUCOQHUHTGBLIY-HNNXBMFYSA-N 2 2 381.521 -0.402 20 0 GBADLP CCC(=O)N1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000582627074 1072377222 /nfs/dbraw/zinc/37/72/22/1072377222.db2.gz LUCOQHUHTGBLIY-HNNXBMFYSA-N 2 2 381.521 -0.402 20 0 GBADLP CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000582627077 1072376871 /nfs/dbraw/zinc/37/68/71/1072376871.db2.gz LUCOQHUHTGBLIY-OAHLLOKOSA-N 2 2 381.521 -0.402 20 0 GBADLP CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000582627077 1072376858 /nfs/dbraw/zinc/37/68/58/1072376858.db2.gz LUCOQHUHTGBLIY-OAHLLOKOSA-N 2 2 381.521 -0.402 20 0 GBADLP C[N@H+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000582655077 530327839 /nfs/dbraw/zinc/32/78/39/530327839.db2.gz HLRNOUNPOAQLFS-CYBMUJFWSA-N 2 2 389.909 -0.097 20 0 GBADLP C[N@@H+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000582655077 530327837 /nfs/dbraw/zinc/32/78/37/530327837.db2.gz HLRNOUNPOAQLFS-CYBMUJFWSA-N 2 2 389.909 -0.097 20 0 GBADLP C[N@H+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000582655078 530327922 /nfs/dbraw/zinc/32/79/22/530327922.db2.gz HLRNOUNPOAQLFS-ZDUSSCGKSA-N 2 2 389.909 -0.097 20 0 GBADLP C[N@@H+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000582655078 530327919 /nfs/dbraw/zinc/32/79/19/530327919.db2.gz HLRNOUNPOAQLFS-ZDUSSCGKSA-N 2 2 389.909 -0.097 20 0 GBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000582713945 1072390277 /nfs/dbraw/zinc/39/02/77/1072390277.db2.gz WYGYSLFQLKSIMS-FGTMMUONSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000582713945 1072390269 /nfs/dbraw/zinc/39/02/69/1072390269.db2.gz WYGYSLFQLKSIMS-FGTMMUONSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000582713946 1072390172 /nfs/dbraw/zinc/39/01/72/1072390172.db2.gz WYGYSLFQLKSIMS-KURKYZTESA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000582713946 1072390164 /nfs/dbraw/zinc/39/01/64/1072390164.db2.gz WYGYSLFQLKSIMS-KURKYZTESA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000582713947 1072390529 /nfs/dbraw/zinc/39/05/29/1072390529.db2.gz WYGYSLFQLKSIMS-KZNAEPCWSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000582713947 1072390524 /nfs/dbraw/zinc/39/05/24/1072390524.db2.gz WYGYSLFQLKSIMS-KZNAEPCWSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000582713948 1072389866 /nfs/dbraw/zinc/38/98/66/1072389866.db2.gz WYGYSLFQLKSIMS-SQNIBIBYSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000582713948 1072389856 /nfs/dbraw/zinc/38/98/56/1072389856.db2.gz WYGYSLFQLKSIMS-SQNIBIBYSA-N 2 2 396.532 -0.387 20 0 GBADLP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CCC(F)(F)F ZINC000582717469 1072391436 /nfs/dbraw/zinc/39/14/36/1072391436.db2.gz UBAKHXGBLFMLAN-CYBMUJFWSA-N 2 2 381.443 -0.261 20 0 GBADLP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CCC(F)(F)F ZINC000582717469 1072391429 /nfs/dbraw/zinc/39/14/29/1072391429.db2.gz UBAKHXGBLFMLAN-CYBMUJFWSA-N 2 2 381.443 -0.261 20 0 GBADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)CCC(F)(F)F ZINC000582717469 1072391414 /nfs/dbraw/zinc/39/14/14/1072391414.db2.gz UBAKHXGBLFMLAN-CYBMUJFWSA-N 2 2 381.443 -0.261 20 0 GBADLP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)CCC(F)(F)F ZINC000582717469 1072391403 /nfs/dbraw/zinc/39/14/03/1072391403.db2.gz UBAKHXGBLFMLAN-CYBMUJFWSA-N 2 2 381.443 -0.261 20 0 GBADLP CC[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CCC(F)(F)F ZINC000582717470 1072391057 /nfs/dbraw/zinc/39/10/57/1072391057.db2.gz UBAKHXGBLFMLAN-ZDUSSCGKSA-N 2 2 381.443 -0.261 20 0 GBADLP CC[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)CCC(F)(F)F ZINC000582717470 1072391049 /nfs/dbraw/zinc/39/10/49/1072391049.db2.gz UBAKHXGBLFMLAN-ZDUSSCGKSA-N 2 2 381.443 -0.261 20 0 GBADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)CCC(F)(F)F ZINC000582717470 1072391043 /nfs/dbraw/zinc/39/10/43/1072391043.db2.gz UBAKHXGBLFMLAN-ZDUSSCGKSA-N 2 2 381.443 -0.261 20 0 GBADLP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)CCC(F)(F)F ZINC000582717470 1072391032 /nfs/dbraw/zinc/39/10/32/1072391032.db2.gz UBAKHXGBLFMLAN-ZDUSSCGKSA-N 2 2 381.443 -0.261 20 0 GBADLP OC(CN1CCC[C@H]([NH+]2CCOCC2)C1)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000582733317 1072393292 /nfs/dbraw/zinc/39/32/92/1072393292.db2.gz AEQQTSMZXXSQHG-PMACEKPBSA-N 2 2 396.576 -0.060 20 0 GBADLP OC(CN1CCC[C@H]([NH+]2CCOCC2)C1)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000582733317 1072393286 /nfs/dbraw/zinc/39/32/86/1072393286.db2.gz AEQQTSMZXXSQHG-PMACEKPBSA-N 2 2 396.576 -0.060 20 0 GBADLP OC(CN1CCC[C@@H]([NH+]2CCOCC2)C1)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000582733323 1072393459 /nfs/dbraw/zinc/39/34/59/1072393459.db2.gz AEQQTSMZXXSQHG-WOJBJXKFSA-N 2 2 396.576 -0.060 20 0 GBADLP OC(CN1CCC[C@@H]([NH+]2CCOCC2)C1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000582733323 1072393444 /nfs/dbraw/zinc/39/34/44/1072393444.db2.gz AEQQTSMZXXSQHG-WOJBJXKFSA-N 2 2 396.576 -0.060 20 0 GBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000582800399 1072401533 /nfs/dbraw/zinc/40/15/33/1072401533.db2.gz SUKFKIZGEFIWQM-GDBMZVCRSA-N 2 2 390.488 -0.381 20 0 GBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000582800400 1072401350 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/nfs/dbraw/zinc/40/67/80/1072406780.db2.gz QFVFXCXDLPCSHP-ULQDDVLXSA-N 2 2 387.546 -0.030 20 0 GBADLP COCCN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582846494 1072406835 /nfs/dbraw/zinc/40/68/35/1072406835.db2.gz QFVFXCXDLPCSHP-YESZJQIVSA-N 2 2 387.546 -0.030 20 0 GBADLP COCCN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582846494 1072406833 /nfs/dbraw/zinc/40/68/33/1072406833.db2.gz QFVFXCXDLPCSHP-YESZJQIVSA-N 2 2 387.546 -0.030 20 0 GBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000582861657 1072408884 /nfs/dbraw/zinc/40/88/84/1072408884.db2.gz CAYGLFDVBGETJA-HNNXBMFYSA-N 2 2 390.488 -0.250 20 0 GBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000582861657 1072408881 /nfs/dbraw/zinc/40/88/81/1072408881.db2.gz CAYGLFDVBGETJA-HNNXBMFYSA-N 2 2 390.488 -0.250 20 0 GBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000582861658 1072408466 /nfs/dbraw/zinc/40/84/66/1072408466.db2.gz CAYGLFDVBGETJA-OAHLLOKOSA-N 2 2 390.488 -0.250 20 0 GBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000582861658 1072408463 /nfs/dbraw/zinc/40/84/63/1072408463.db2.gz CAYGLFDVBGETJA-OAHLLOKOSA-N 2 2 390.488 -0.250 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12CCOCC2 ZINC000582909948 1072415133 /nfs/dbraw/zinc/41/51/33/1072415133.db2.gz BOBPTGXVACSGGO-DLBZAZTESA-N 2 2 394.516 -0.619 20 0 GBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12CCOCC2 ZINC000582909949 1072414790 /nfs/dbraw/zinc/41/47/90/1072414790.db2.gz BOBPTGXVACSGGO-IAGOWNOFSA-N 2 2 394.516 -0.619 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12CCOCC2 ZINC000582909950 1072414831 /nfs/dbraw/zinc/41/48/31/1072414831.db2.gz BOBPTGXVACSGGO-IRXDYDNUSA-N 2 2 394.516 -0.619 20 0 GBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12CCOCC2 ZINC000582909951 1072415106 /nfs/dbraw/zinc/41/51/06/1072415106.db2.gz BOBPTGXVACSGGO-SJORKVTESA-N 2 2 394.516 -0.619 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000582954224 1072419475 /nfs/dbraw/zinc/41/94/75/1072419475.db2.gz GEZGIJPCHGJNDQ-CYBMUJFWSA-N 2 2 393.513 -0.841 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000582954224 1072419472 /nfs/dbraw/zinc/41/94/72/1072419472.db2.gz GEZGIJPCHGJNDQ-CYBMUJFWSA-N 2 2 393.513 -0.841 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000582954229 1072419573 /nfs/dbraw/zinc/41/95/73/1072419573.db2.gz GEZGIJPCHGJNDQ-ZDUSSCGKSA-N 2 2 393.513 -0.841 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000582954229 1072419570 /nfs/dbraw/zinc/41/95/70/1072419570.db2.gz GEZGIJPCHGJNDQ-ZDUSSCGKSA-N 2 2 393.513 -0.841 20 0 GBADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000582964727 1072420169 /nfs/dbraw/zinc/42/01/69/1072420169.db2.gz LMSJVYZVPWJRPG-GFCCVEGCSA-N 2 2 380.449 -0.678 20 0 GBADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000582964727 1072420165 /nfs/dbraw/zinc/42/01/65/1072420165.db2.gz LMSJVYZVPWJRPG-GFCCVEGCSA-N 2 2 380.449 -0.678 20 0 GBADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000582964735 1072420375 /nfs/dbraw/zinc/42/03/75/1072420375.db2.gz LMSJVYZVPWJRPG-LBPRGKRZSA-N 2 2 380.449 -0.678 20 0 GBADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000582964735 1072420371 /nfs/dbraw/zinc/42/03/71/1072420371.db2.gz LMSJVYZVPWJRPG-LBPRGKRZSA-N 2 2 380.449 -0.678 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583010373 1072423669 /nfs/dbraw/zinc/42/36/69/1072423669.db2.gz GGDIITHGVAHDTC-UHFFFAOYSA-N 3 2 385.553 -0.493 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583010373 1072423666 /nfs/dbraw/zinc/42/36/66/1072423666.db2.gz GGDIITHGVAHDTC-UHFFFAOYSA-N 3 2 385.553 -0.493 20 0 GBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000583161349 1072437926 /nfs/dbraw/zinc/43/79/26/1072437926.db2.gz TXFFRIZTJMRUFC-UHFFFAOYSA-N 2 2 379.505 -0.791 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000583171064 1072439509 /nfs/dbraw/zinc/43/95/09/1072439509.db2.gz DYSLJAGKLOJXMF-DLBZAZTESA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000583171064 1072439502 /nfs/dbraw/zinc/43/95/02/1072439502.db2.gz DYSLJAGKLOJXMF-DLBZAZTESA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000583171065 1072439709 /nfs/dbraw/zinc/43/97/09/1072439709.db2.gz DYSLJAGKLOJXMF-IAGOWNOFSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000583171065 1072439706 /nfs/dbraw/zinc/43/97/06/1072439706.db2.gz DYSLJAGKLOJXMF-IAGOWNOFSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000583171066 1072439423 /nfs/dbraw/zinc/43/94/23/1072439423.db2.gz DYSLJAGKLOJXMF-IRXDYDNUSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000583171066 1072439417 /nfs/dbraw/zinc/43/94/17/1072439417.db2.gz DYSLJAGKLOJXMF-IRXDYDNUSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000583171067 1072439355 /nfs/dbraw/zinc/43/93/55/1072439355.db2.gz DYSLJAGKLOJXMF-SJORKVTESA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000583171067 1072439350 /nfs/dbraw/zinc/43/93/50/1072439350.db2.gz DYSLJAGKLOJXMF-SJORKVTESA-N 2 2 382.505 -0.729 20 0 GBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000583259693 1072448240 /nfs/dbraw/zinc/44/82/40/1072448240.db2.gz BMEIAUNQZZBRIG-HRCADAONSA-N 2 2 390.488 -0.225 20 0 GBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000583259693 1072448232 /nfs/dbraw/zinc/44/82/32/1072448232.db2.gz BMEIAUNQZZBRIG-HRCADAONSA-N 2 2 390.488 -0.225 20 0 GBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000583259700 1072448354 /nfs/dbraw/zinc/44/83/54/1072448354.db2.gz BMEIAUNQZZBRIG-OWCLPIDISA-N 2 2 390.488 -0.225 20 0 GBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000583259700 1072448346 /nfs/dbraw/zinc/44/83/46/1072448346.db2.gz BMEIAUNQZZBRIG-OWCLPIDISA-N 2 2 390.488 -0.225 20 0 GBADLP COC1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]CC1 ZINC000583323111 1072453062 /nfs/dbraw/zinc/45/30/62/1072453062.db2.gz CMQPBEYRMIGSDP-UHFFFAOYSA-N 2 2 390.488 -0.270 20 0 GBADLP COC1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[NH2+]CC1 ZINC000583323111 1072453059 /nfs/dbraw/zinc/45/30/59/1072453059.db2.gz CMQPBEYRMIGSDP-UHFFFAOYSA-N 2 2 390.488 -0.270 20 0 GBADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000583328945 530331913 /nfs/dbraw/zinc/33/19/13/530331913.db2.gz OCZSUGRFXBZZGE-HNNXBMFYSA-N 2 2 396.579 -0.691 20 0 GBADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000583328945 530331910 /nfs/dbraw/zinc/33/19/10/530331910.db2.gz OCZSUGRFXBZZGE-HNNXBMFYSA-N 2 2 396.579 -0.691 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000583328946 530332039 /nfs/dbraw/zinc/33/20/39/530332039.db2.gz OCZSUGRFXBZZGE-OAHLLOKOSA-N 2 2 396.579 -0.691 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000583328946 530332038 /nfs/dbraw/zinc/33/20/38/530332038.db2.gz OCZSUGRFXBZZGE-OAHLLOKOSA-N 2 2 396.579 -0.691 20 0 GBADLP O=C(CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000583371300 1072456477 /nfs/dbraw/zinc/45/64/77/1072456477.db2.gz SGMWVGHGSXBNCU-UHFFFAOYSA-N 2 2 375.473 -0.176 20 0 GBADLP CN(C(=O)[C@H]1CC[C@H]1C(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583390456 1072457778 /nfs/dbraw/zinc/45/77/78/1072457778.db2.gz RESJDSAHKCSNFO-CVEARBPZSA-N 2 2 379.505 -0.805 20 0 GBADLP CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583390457 1072457949 /nfs/dbraw/zinc/45/79/49/1072457949.db2.gz RESJDSAHKCSNFO-HOTGVXAUSA-N 2 2 379.505 -0.805 20 0 GBADLP CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583390458 1072458098 /nfs/dbraw/zinc/45/80/98/1072458098.db2.gz RESJDSAHKCSNFO-HZPDHXFCSA-N 2 2 379.505 -0.805 20 0 GBADLP CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583390459 1072458158 /nfs/dbraw/zinc/45/81/58/1072458158.db2.gz RESJDSAHKCSNFO-JKSUJKDBSA-N 2 2 379.505 -0.805 20 0 GBADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000583395265 1072458810 /nfs/dbraw/zinc/45/88/10/1072458810.db2.gz NXZUPCHSFRKINU-DLBZAZTESA-N 2 2 384.521 -0.456 20 0 GBADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000583395266 1072458880 /nfs/dbraw/zinc/45/88/80/1072458880.db2.gz NXZUPCHSFRKINU-IAGOWNOFSA-N 2 2 384.521 -0.456 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000583395267 1072458771 /nfs/dbraw/zinc/45/87/71/1072458771.db2.gz NXZUPCHSFRKINU-IRXDYDNUSA-N 2 2 384.521 -0.456 20 0 GBADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000583395268 1072458832 /nfs/dbraw/zinc/45/88/32/1072458832.db2.gz NXZUPCHSFRKINU-SJORKVTESA-N 2 2 384.521 -0.456 20 0 GBADLP C[NH+](C)[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1O ZINC000583409046 1072460031 /nfs/dbraw/zinc/46/00/31/1072460031.db2.gz XLBPNHKEMUMTFM-HOTGVXAUSA-N 2 2 375.473 -0.356 20 0 GBADLP Cn1cc(I)c(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000583430736 530107933 /nfs/dbraw/zinc/10/79/33/530107933.db2.gz FFBQOWKGNUQOLY-SECBINFHSA-N 2 2 392.245 -0.191 20 0 GBADLP Cn1cc(I)c(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000583430736 530107932 /nfs/dbraw/zinc/10/79/32/530107932.db2.gz FFBQOWKGNUQOLY-SECBINFHSA-N 2 2 392.245 -0.191 20 0 GBADLP Cn1cc(I)c(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000583430737 530107956 /nfs/dbraw/zinc/10/79/56/530107956.db2.gz FFBQOWKGNUQOLY-VIFPVBQESA-N 2 2 392.245 -0.191 20 0 GBADLP Cn1cc(I)c(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000583430737 530107954 /nfs/dbraw/zinc/10/79/54/530107954.db2.gz FFBQOWKGNUQOLY-VIFPVBQESA-N 2 2 392.245 -0.191 20 0 GBADLP CCOCC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583435510 1072462275 /nfs/dbraw/zinc/46/22/75/1072462275.db2.gz IXADVIYEEWEZNR-INIZCTEOSA-N 2 2 386.518 -0.090 20 0 GBADLP CCOCC[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583435511 1072462644 /nfs/dbraw/zinc/46/26/44/1072462644.db2.gz IXADVIYEEWEZNR-MRXNPFEDSA-N 2 2 386.518 -0.090 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000583554630 1072473329 /nfs/dbraw/zinc/47/33/29/1072473329.db2.gz XRDJTNZHTONUQK-UHFFFAOYSA-N 2 2 382.509 -0.996 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000583554630 1072473324 /nfs/dbraw/zinc/47/33/24/1072473324.db2.gz XRDJTNZHTONUQK-UHFFFAOYSA-N 2 2 382.509 -0.996 20 0 GBADLP O=C(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000583558860 1072473038 /nfs/dbraw/zinc/47/30/38/1072473038.db2.gz PVYROQYGANHZTB-MSOLQXFVSA-N 2 2 393.532 -0.794 20 0 GBADLP O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000583558861 1072473269 /nfs/dbraw/zinc/47/32/69/1072473269.db2.gz PVYROQYGANHZTB-QZTJIDSGSA-N 2 2 393.532 -0.794 20 0 GBADLP O=C(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000583558862 1072473571 /nfs/dbraw/zinc/47/35/71/1072473571.db2.gz PVYROQYGANHZTB-ROUUACIJSA-N 2 2 393.532 -0.794 20 0 GBADLP O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000583558863 1072473107 /nfs/dbraw/zinc/47/31/07/1072473107.db2.gz PVYROQYGANHZTB-ZWKOTPCHSA-N 2 2 393.532 -0.794 20 0 GBADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583575921 1072475782 /nfs/dbraw/zinc/47/57/82/1072475782.db2.gz WLRFQARIJCNFQC-BZUAXINKSA-N 2 2 387.484 -0.327 20 0 GBADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583575921 1072475774 /nfs/dbraw/zinc/47/57/74/1072475774.db2.gz WLRFQARIJCNFQC-BZUAXINKSA-N 2 2 387.484 -0.327 20 0 GBADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583575922 1072476244 /nfs/dbraw/zinc/47/62/44/1072476244.db2.gz WLRFQARIJCNFQC-OAGGEKHMSA-N 2 2 387.484 -0.327 20 0 GBADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583575922 1072476242 /nfs/dbraw/zinc/47/62/42/1072476242.db2.gz WLRFQARIJCNFQC-OAGGEKHMSA-N 2 2 387.484 -0.327 20 0 GBADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583575923 1072476090 /nfs/dbraw/zinc/47/60/90/1072476090.db2.gz WLRFQARIJCNFQC-OWCLPIDISA-N 2 2 387.484 -0.327 20 0 GBADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583575923 1072476084 /nfs/dbraw/zinc/47/60/84/1072476084.db2.gz WLRFQARIJCNFQC-OWCLPIDISA-N 2 2 387.484 -0.327 20 0 GBADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583575924 1072476169 /nfs/dbraw/zinc/47/61/69/1072476169.db2.gz WLRFQARIJCNFQC-PMPSAXMXSA-N 2 2 387.484 -0.327 20 0 GBADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583575924 1072476166 /nfs/dbraw/zinc/47/61/66/1072476166.db2.gz WLRFQARIJCNFQC-PMPSAXMXSA-N 2 2 387.484 -0.327 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583682981 1072494309 /nfs/dbraw/zinc/49/43/09/1072494309.db2.gz ZDLVAKLVWFQODM-INIZCTEOSA-N 2 2 389.504 -0.677 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583682982 1072494354 /nfs/dbraw/zinc/49/43/54/1072494354.db2.gz ZDLVAKLVWFQODM-MRXNPFEDSA-N 2 2 389.504 -0.677 20 0 GBADLP [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000583750236 1072500738 /nfs/dbraw/zinc/50/07/38/1072500738.db2.gz CROGZHIFXFKJPF-INIZCTEOSA-N 2 2 381.502 -0.223 20 0 GBADLP [NH3+][C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000583750237 1072501105 /nfs/dbraw/zinc/50/11/05/1072501105.db2.gz CROGZHIFXFKJPF-MRXNPFEDSA-N 2 2 381.502 -0.223 20 0 GBADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000583827743 1072507934 /nfs/dbraw/zinc/50/79/34/1072507934.db2.gz WOBRGRQGJWXZKI-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000583827743 1072507930 /nfs/dbraw/zinc/50/79/30/1072507930.db2.gz WOBRGRQGJWXZKI-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000583827744 1072507907 /nfs/dbraw/zinc/50/79/07/1072507907.db2.gz WOBRGRQGJWXZKI-OAHLLOKOSA-N 2 2 382.505 -0.070 20 0 GBADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000583827744 1072507900 /nfs/dbraw/zinc/50/79/00/1072507900.db2.gz WOBRGRQGJWXZKI-OAHLLOKOSA-N 2 2 382.505 -0.070 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[NH2+]CC1 ZINC000583860994 1072511416 /nfs/dbraw/zinc/51/14/16/1072511416.db2.gz HABLDMBHOSGBRQ-UHFFFAOYSA-N 2 2 396.517 -0.462 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000583883450 530344577 /nfs/dbraw/zinc/34/45/77/530344577.db2.gz QQHSUZGXDZXHMM-GFCCVEGCSA-N 2 2 377.492 -0.349 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000583883450 530344575 /nfs/dbraw/zinc/34/45/75/530344575.db2.gz QQHSUZGXDZXHMM-GFCCVEGCSA-N 2 2 377.492 -0.349 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000583883451 530344501 /nfs/dbraw/zinc/34/45/01/530344501.db2.gz QQHSUZGXDZXHMM-LBPRGKRZSA-N 2 2 377.492 -0.349 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000583883451 530344497 /nfs/dbraw/zinc/34/44/97/530344497.db2.gz QQHSUZGXDZXHMM-LBPRGKRZSA-N 2 2 377.492 -0.349 20 0 GBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000583986166 1072520418 /nfs/dbraw/zinc/52/04/18/1072520418.db2.gz PDSWCTPWKSYQCB-UHFFFAOYSA-N 2 2 393.532 -0.258 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000584007635 1072522831 /nfs/dbraw/zinc/52/28/31/1072522831.db2.gz FRCQDHQRKNTVRD-UHFFFAOYSA-N 2 2 383.537 -0.153 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000584007635 1072522829 /nfs/dbraw/zinc/52/28/29/1072522829.db2.gz FRCQDHQRKNTVRD-UHFFFAOYSA-N 2 2 383.537 -0.153 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000584102363 1072530066 /nfs/dbraw/zinc/53/00/66/1072530066.db2.gz WZIYLVFZTKTGST-FOLVSLTJSA-N 2 2 394.501 -0.950 20 0 GBADLP C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000584124122 530089252 /nfs/dbraw/zinc/08/92/52/530089252.db2.gz UPWUYWKKJJSRGY-BETUJISGSA-N 2 2 391.519 -0.245 20 0 GBADLP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000584124122 530089248 /nfs/dbraw/zinc/08/92/48/530089248.db2.gz UPWUYWKKJJSRGY-BETUJISGSA-N 2 2 391.519 -0.245 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000584133586 1072532504 /nfs/dbraw/zinc/53/25/04/1072532504.db2.gz CDJVROUJBSHJBS-INIZCTEOSA-N 2 2 384.521 -0.624 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000584133587 1072532686 /nfs/dbraw/zinc/53/26/86/1072532686.db2.gz CDJVROUJBSHJBS-MRXNPFEDSA-N 2 2 384.521 -0.624 20 0 GBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000584163045 1072534654 /nfs/dbraw/zinc/53/46/54/1072534654.db2.gz SFGWESYVOCALKD-DLBZAZTESA-N 2 2 384.521 -0.036 20 0 GBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000584163045 1072534644 /nfs/dbraw/zinc/53/46/44/1072534644.db2.gz SFGWESYVOCALKD-DLBZAZTESA-N 2 2 384.521 -0.036 20 0 GBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000584163046 1072534360 /nfs/dbraw/zinc/53/43/60/1072534360.db2.gz SFGWESYVOCALKD-IAGOWNOFSA-N 2 2 384.521 -0.036 20 0 GBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000584163046 1072534353 /nfs/dbraw/zinc/53/43/53/1072534353.db2.gz SFGWESYVOCALKD-IAGOWNOFSA-N 2 2 384.521 -0.036 20 0 GBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000584163047 1072534761 /nfs/dbraw/zinc/53/47/61/1072534761.db2.gz SFGWESYVOCALKD-IRXDYDNUSA-N 2 2 384.521 -0.036 20 0 GBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000584163047 1072534751 /nfs/dbraw/zinc/53/47/51/1072534751.db2.gz SFGWESYVOCALKD-IRXDYDNUSA-N 2 2 384.521 -0.036 20 0 GBADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)C[N@H+]1CCO ZINC000584163048 1072534553 /nfs/dbraw/zinc/53/45/53/1072534553.db2.gz SFGWESYVOCALKD-SJORKVTESA-N 2 2 384.521 -0.036 20 0 GBADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)C[N@@H+]1CCO ZINC000584163048 1072534544 /nfs/dbraw/zinc/53/45/44/1072534544.db2.gz SFGWESYVOCALKD-SJORKVTESA-N 2 2 384.521 -0.036 20 0 GBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000584218083 1072538143 /nfs/dbraw/zinc/53/81/43/1072538143.db2.gz CEBFVEPPHTXIIF-GOSISDBHSA-N 2 2 377.533 -0.080 20 0 GBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000584218084 1072539141 /nfs/dbraw/zinc/53/91/41/1072539141.db2.gz CEBFVEPPHTXIIF-SFHVURJKSA-N 2 2 377.533 -0.080 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000584222355 1072538388 /nfs/dbraw/zinc/53/83/88/1072538388.db2.gz ZPXLKUUOVVDGEZ-UHFFFAOYSA-N 2 2 383.537 -0.107 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000584222355 1072538376 /nfs/dbraw/zinc/53/83/76/1072538376.db2.gz ZPXLKUUOVVDGEZ-UHFFFAOYSA-N 2 2 383.537 -0.107 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000584232462 1072540182 /nfs/dbraw/zinc/54/01/82/1072540182.db2.gz WCNPOHCACLKASL-AEFFLSMTSA-N 2 2 390.484 -0.777 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000584232463 1072540647 /nfs/dbraw/zinc/54/06/47/1072540647.db2.gz WCNPOHCACLKASL-FUHWJXTLSA-N 2 2 390.484 -0.777 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000584232464 1072539630 /nfs/dbraw/zinc/53/96/30/1072539630.db2.gz WCNPOHCACLKASL-SJLPKXTDSA-N 2 2 390.484 -0.777 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000584232465 1072539881 /nfs/dbraw/zinc/53/98/81/1072539881.db2.gz WCNPOHCACLKASL-WMZOPIPTSA-N 2 2 390.484 -0.777 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000584438319 1072559357 /nfs/dbraw/zinc/55/93/57/1072559357.db2.gz SFHSYLISTGEMOS-INIZCTEOSA-N 2 2 395.548 -0.155 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000584438319 1072559348 /nfs/dbraw/zinc/55/93/48/1072559348.db2.gz SFHSYLISTGEMOS-INIZCTEOSA-N 2 2 395.548 -0.155 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000584438320 1072559771 /nfs/dbraw/zinc/55/97/71/1072559771.db2.gz SFHSYLISTGEMOS-MRXNPFEDSA-N 2 2 395.548 -0.155 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000584438320 1072559768 /nfs/dbraw/zinc/55/97/68/1072559768.db2.gz SFHSYLISTGEMOS-MRXNPFEDSA-N 2 2 395.548 -0.155 20 0 GBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000584439231 530331815 /nfs/dbraw/zinc/33/18/15/530331815.db2.gz KVNDMJTUNYGXFS-UHFFFAOYSA-N 2 2 375.539 -0.599 20 0 GBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000584439231 530331812 /nfs/dbraw/zinc/33/18/12/530331812.db2.gz KVNDMJTUNYGXFS-UHFFFAOYSA-N 2 2 375.539 -0.599 20 0 GBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 ZINC000584464756 530343604 /nfs/dbraw/zinc/34/36/04/530343604.db2.gz HQRVHFMVRZVTRE-KFWWJZLASA-N 2 2 381.564 -0.575 20 0 GBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000584464757 530343500 /nfs/dbraw/zinc/34/35/00/530343500.db2.gz HQRVHFMVRZVTRE-QLFBSQMISA-N 2 2 381.564 -0.575 20 0 GBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000584464757 530343499 /nfs/dbraw/zinc/34/34/99/530343499.db2.gz HQRVHFMVRZVTRE-QLFBSQMISA-N 2 2 381.564 -0.575 20 0 GBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 ZINC000584464758 530343419 /nfs/dbraw/zinc/34/34/19/530343419.db2.gz HQRVHFMVRZVTRE-RBSFLKMASA-N 2 2 381.564 -0.575 20 0 GBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000584464759 530343624 /nfs/dbraw/zinc/34/36/24/530343624.db2.gz HQRVHFMVRZVTRE-ZNMIVQPWSA-N 2 2 381.564 -0.575 20 0 GBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000584464759 530343621 /nfs/dbraw/zinc/34/36/21/530343621.db2.gz HQRVHFMVRZVTRE-ZNMIVQPWSA-N 2 2 381.564 -0.575 20 0 GBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000584519032 1073045125 /nfs/dbraw/zinc/04/51/25/1073045125.db2.gz QXYHLELQJJRZJX-OAHLLOKOSA-N 2 2 396.517 -0.415 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC3(CC[NH2+]3)CC2)CC1 ZINC000584533282 1073200625 /nfs/dbraw/zinc/20/06/25/1073200625.db2.gz WDHFFSYNGKBDFH-UHFFFAOYSA-N 2 2 384.488 -0.160 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000584535982 1073208700 /nfs/dbraw/zinc/20/87/00/1073208700.db2.gz IQYLBFWXTIIBET-GOSISDBHSA-N 2 2 392.500 -0.484 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000584535983 1073208627 /nfs/dbraw/zinc/20/86/27/1073208627.db2.gz IQYLBFWXTIIBET-SFHVURJKSA-N 2 2 392.500 -0.484 20 0 GBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584680561 1073299132 /nfs/dbraw/zinc/29/91/32/1073299132.db2.gz KUABGKKINSWMKC-CABCVRRESA-N 2 2 388.472 -0.921 20 0 GBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584680561 1073299130 /nfs/dbraw/zinc/29/91/30/1073299130.db2.gz KUABGKKINSWMKC-CABCVRRESA-N 2 2 388.472 -0.921 20 0 GBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584680562 1073299109 /nfs/dbraw/zinc/29/91/09/1073299109.db2.gz KUABGKKINSWMKC-GJZGRUSLSA-N 2 2 388.472 -0.921 20 0 GBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584680562 1073299107 /nfs/dbraw/zinc/29/91/07/1073299107.db2.gz KUABGKKINSWMKC-GJZGRUSLSA-N 2 2 388.472 -0.921 20 0 GBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584680563 1073299539 /nfs/dbraw/zinc/29/95/39/1073299539.db2.gz KUABGKKINSWMKC-HUUCEWRRSA-N 2 2 388.472 -0.921 20 0 GBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584680563 1073299534 /nfs/dbraw/zinc/29/95/34/1073299534.db2.gz KUABGKKINSWMKC-HUUCEWRRSA-N 2 2 388.472 -0.921 20 0 GBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584680564 1073299298 /nfs/dbraw/zinc/29/92/98/1073299298.db2.gz KUABGKKINSWMKC-LSDHHAIUSA-N 2 2 388.472 -0.921 20 0 GBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584680564 1073299291 /nfs/dbraw/zinc/29/92/91/1073299291.db2.gz KUABGKKINSWMKC-LSDHHAIUSA-N 2 2 388.472 -0.921 20 0 GBADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000584712031 1073301711 /nfs/dbraw/zinc/30/17/11/1073301711.db2.gz ASCPWEGQDZDRQN-UHFFFAOYSA-N 2 2 387.484 -0.813 20 0 GBADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584731257 1073303185 /nfs/dbraw/zinc/30/31/85/1073303185.db2.gz FQHFRDJHOPRCOP-FPCVCCKLSA-N 2 2 388.468 -0.083 20 0 GBADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584731257 1073303175 /nfs/dbraw/zinc/30/31/75/1073303175.db2.gz FQHFRDJHOPRCOP-FPCVCCKLSA-N 2 2 388.468 -0.083 20 0 GBADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584731259 1073303417 /nfs/dbraw/zinc/30/34/17/1073303417.db2.gz FQHFRDJHOPRCOP-KLHDSHLOSA-N 2 2 388.468 -0.083 20 0 GBADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584731259 1073303410 /nfs/dbraw/zinc/30/34/10/1073303410.db2.gz FQHFRDJHOPRCOP-KLHDSHLOSA-N 2 2 388.468 -0.083 20 0 GBADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584731261 1073303462 /nfs/dbraw/zinc/30/34/62/1073303462.db2.gz FQHFRDJHOPRCOP-QKPAOTATSA-N 2 2 388.468 -0.083 20 0 GBADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584731261 1073303459 /nfs/dbraw/zinc/30/34/59/1073303459.db2.gz FQHFRDJHOPRCOP-QKPAOTATSA-N 2 2 388.468 -0.083 20 0 GBADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584731262 1073303141 /nfs/dbraw/zinc/30/31/41/1073303141.db2.gz FQHFRDJHOPRCOP-QXSJWSMHSA-N 2 2 388.468 -0.083 20 0 GBADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584731262 1073303133 /nfs/dbraw/zinc/30/31/33/1073303133.db2.gz FQHFRDJHOPRCOP-QXSJWSMHSA-N 2 2 388.468 -0.083 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000584765676 1073306626 /nfs/dbraw/zinc/30/66/26/1073306626.db2.gz DVMJYWVMBRBWED-UHFFFAOYSA-N 2 2 383.537 -0.201 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000584765676 1073306623 /nfs/dbraw/zinc/30/66/23/1073306623.db2.gz DVMJYWVMBRBWED-UHFFFAOYSA-N 2 2 383.537 -0.201 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000585721002 1073616211 /nfs/dbraw/zinc/61/62/11/1073616211.db2.gz FVYBRSGCGBDTAR-INIZCTEOSA-N 2 2 398.504 -0.689 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000585721002 1073616208 /nfs/dbraw/zinc/61/62/08/1073616208.db2.gz FVYBRSGCGBDTAR-INIZCTEOSA-N 2 2 398.504 -0.689 20 0 GBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000585721003 1073616136 /nfs/dbraw/zinc/61/61/36/1073616136.db2.gz FVYBRSGCGBDTAR-MRXNPFEDSA-N 2 2 398.504 -0.689 20 0 GBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000585721003 1073616131 /nfs/dbraw/zinc/61/61/31/1073616131.db2.gz FVYBRSGCGBDTAR-MRXNPFEDSA-N 2 2 398.504 -0.689 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000585724786 1073616120 /nfs/dbraw/zinc/61/61/20/1073616120.db2.gz BBAXDPBKBCZANC-ARFHVFGLSA-N 2 2 380.489 -0.175 20 0 GBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000585724786 1073616116 /nfs/dbraw/zinc/61/61/16/1073616116.db2.gz BBAXDPBKBCZANC-ARFHVFGLSA-N 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UDAFSDGBCIUKJR-YYIAUSFCSA-N 2 2 394.516 -0.419 20 0 GBADLP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[N@H+](C)CCO1 ZINC000611676134 1072380080 /nfs/dbraw/zinc/38/00/80/1072380080.db2.gz UDAFSDGBCIUKJR-YYIAUSFCSA-N 2 2 394.516 -0.419 20 0 GBADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611955636 1072604083 /nfs/dbraw/zinc/60/40/83/1072604083.db2.gz HZOJKRWKZPGBGN-INIZCTEOSA-N 2 2 396.532 -0.027 20 0 GBADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611955636 1072604076 /nfs/dbraw/zinc/60/40/76/1072604076.db2.gz HZOJKRWKZPGBGN-INIZCTEOSA-N 2 2 396.532 -0.027 20 0 GBADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611955638 1072603649 /nfs/dbraw/zinc/60/36/49/1072603649.db2.gz HZOJKRWKZPGBGN-MRXNPFEDSA-N 2 2 396.532 -0.027 20 0 GBADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611955638 1072603644 /nfs/dbraw/zinc/60/36/44/1072603644.db2.gz HZOJKRWKZPGBGN-MRXNPFEDSA-N 2 2 396.532 -0.027 20 0 GBADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000611956005 1072603717 /nfs/dbraw/zinc/60/37/17/1072603717.db2.gz MMWLYDVCCPJWPE-INIZCTEOSA-N 2 2 382.505 -0.416 20 0 GBADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000611956006 1072603784 /nfs/dbraw/zinc/60/37/84/1072603784.db2.gz MMWLYDVCCPJWPE-MRXNPFEDSA-N 2 2 382.505 -0.416 20 0 GBADLP CCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000611957038 1072604985 /nfs/dbraw/zinc/60/49/85/1072604985.db2.gz VWOZQAPCYJUTEX-KRWDZBQOSA-N 2 2 396.532 -0.073 20 0 GBADLP CCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000611957038 1072604979 /nfs/dbraw/zinc/60/49/79/1072604979.db2.gz VWOZQAPCYJUTEX-KRWDZBQOSA-N 2 2 396.532 -0.073 20 0 GBADLP CCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000611957040 1072605100 /nfs/dbraw/zinc/60/51/00/1072605100.db2.gz VWOZQAPCYJUTEX-QGZVFWFLSA-N 2 2 396.532 -0.073 20 0 GBADLP CCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000611957040 1072605095 /nfs/dbraw/zinc/60/50/95/1072605095.db2.gz VWOZQAPCYJUTEX-QGZVFWFLSA-N 2 2 396.532 -0.073 20 0 GBADLP CCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000611957592 1072604887 /nfs/dbraw/zinc/60/48/87/1072604887.db2.gz YTIUMOCKTUENHU-INIZCTEOSA-N 2 2 382.505 -0.463 20 0 GBADLP CCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000611957592 1072604886 /nfs/dbraw/zinc/60/48/86/1072604886.db2.gz YTIUMOCKTUENHU-INIZCTEOSA-N 2 2 382.505 -0.463 20 0 GBADLP CCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000611957595 1072605037 /nfs/dbraw/zinc/60/50/37/1072605037.db2.gz YTIUMOCKTUENHU-MRXNPFEDSA-N 2 2 382.505 -0.463 20 0 GBADLP CCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000611957595 1072605030 /nfs/dbraw/zinc/60/50/30/1072605030.db2.gz YTIUMOCKTUENHU-MRXNPFEDSA-N 2 2 382.505 -0.463 20 0 GBADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000611963342 1072610872 /nfs/dbraw/zinc/61/08/72/1072610872.db2.gz ZMIJYVCLQRKDDE-HNNXBMFYSA-N 2 2 382.505 -0.070 20 0 GBADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000611963343 1072610773 /nfs/dbraw/zinc/61/07/73/1072610773.db2.gz ZMIJYVCLQRKDDE-OAHLLOKOSA-N 2 2 382.505 -0.070 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037717 1072657898 /nfs/dbraw/zinc/65/78/98/1072657898.db2.gz QSQUSYZZRSPKEA-CBZIJGRNSA-N 2 2 396.532 -0.030 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037717 1072657892 /nfs/dbraw/zinc/65/78/92/1072657892.db2.gz QSQUSYZZRSPKEA-CBZIJGRNSA-N 2 2 396.532 -0.030 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037718 1072658012 /nfs/dbraw/zinc/65/80/12/1072658012.db2.gz QSQUSYZZRSPKEA-CUSZFKRNSA-N 2 2 396.532 -0.030 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037718 1072658010 /nfs/dbraw/zinc/65/80/10/1072658010.db2.gz QSQUSYZZRSPKEA-CUSZFKRNSA-N 2 2 396.532 -0.030 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037719 1072657857 /nfs/dbraw/zinc/65/78/57/1072657857.db2.gz QSQUSYZZRSPKEA-LISAXSMJSA-N 2 2 396.532 -0.030 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037719 1072657852 /nfs/dbraw/zinc/65/78/52/1072657852.db2.gz QSQUSYZZRSPKEA-LISAXSMJSA-N 2 2 396.532 -0.030 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037720 1072657570 /nfs/dbraw/zinc/65/75/70/1072657570.db2.gz QSQUSYZZRSPKEA-XLMAVXFVSA-N 2 2 396.532 -0.030 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037720 1072657563 /nfs/dbraw/zinc/65/75/63/1072657563.db2.gz QSQUSYZZRSPKEA-XLMAVXFVSA-N 2 2 396.532 -0.030 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445668 1072819516 /nfs/dbraw/zinc/81/95/16/1072819516.db2.gz NUZNQFVNEZGTTN-AEFFLSMTSA-N 2 2 396.532 -0.339 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445668 1072819509 /nfs/dbraw/zinc/81/95/09/1072819509.db2.gz NUZNQFVNEZGTTN-AEFFLSMTSA-N 2 2 396.532 -0.339 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445669 1072819869 /nfs/dbraw/zinc/81/98/69/1072819869.db2.gz NUZNQFVNEZGTTN-FUHWJXTLSA-N 2 2 396.532 -0.339 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445669 1072819859 /nfs/dbraw/zinc/81/98/59/1072819859.db2.gz NUZNQFVNEZGTTN-FUHWJXTLSA-N 2 2 396.532 -0.339 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445670 1072819300 /nfs/dbraw/zinc/81/93/00/1072819300.db2.gz NUZNQFVNEZGTTN-SJLPKXTDSA-N 2 2 396.532 -0.339 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445670 1072819291 /nfs/dbraw/zinc/81/92/91/1072819291.db2.gz NUZNQFVNEZGTTN-SJLPKXTDSA-N 2 2 396.532 -0.339 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445671 1072819359 /nfs/dbraw/zinc/81/93/59/1072819359.db2.gz NUZNQFVNEZGTTN-WMZOPIPTSA-N 2 2 396.532 -0.339 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445671 1072819351 /nfs/dbraw/zinc/81/93/51/1072819351.db2.gz NUZNQFVNEZGTTN-WMZOPIPTSA-N 2 2 396.532 -0.339 20 0 GBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000612484998 1072824605 /nfs/dbraw/zinc/82/46/05/1072824605.db2.gz FGJJHKNCFIEFLW-KRWDZBQOSA-N 2 2 395.548 -0.155 20 0 GBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000612484999 1072824230 /nfs/dbraw/zinc/82/42/30/1072824230.db2.gz FGJJHKNCFIEFLW-QGZVFWFLSA-N 2 2 395.548 -0.155 20 0 GBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000612487689 1072825821 /nfs/dbraw/zinc/82/58/21/1072825821.db2.gz WXGWWXUPIMVKKF-DLBZAZTESA-N 2 2 384.521 -0.626 20 0 GBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000612487690 1072825201 /nfs/dbraw/zinc/82/52/01/1072825201.db2.gz WXGWWXUPIMVKKF-IAGOWNOFSA-N 2 2 384.521 -0.626 20 0 GBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000612487691 1072825365 /nfs/dbraw/zinc/82/53/65/1072825365.db2.gz WXGWWXUPIMVKKF-IRXDYDNUSA-N 2 2 384.521 -0.626 20 0 GBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000612487692 1072825470 /nfs/dbraw/zinc/82/54/70/1072825470.db2.gz WXGWWXUPIMVKKF-SJORKVTESA-N 2 2 384.521 -0.626 20 0 GBADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1 ZINC000612553433 1072837056 /nfs/dbraw/zinc/83/70/56/1072837056.db2.gz VBTFXIYJQDWDAB-KRWDZBQOSA-N 2 2 395.548 -0.010 20 0 GBADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1 ZINC000612553433 1072837041 /nfs/dbraw/zinc/83/70/41/1072837041.db2.gz VBTFXIYJQDWDAB-KRWDZBQOSA-N 2 2 395.548 -0.010 20 0 GBADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000612553433 1072837031 /nfs/dbraw/zinc/83/70/31/1072837031.db2.gz VBTFXIYJQDWDAB-KRWDZBQOSA-N 2 2 395.548 -0.010 20 0 GBADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000612553433 1072837020 /nfs/dbraw/zinc/83/70/20/1072837020.db2.gz VBTFXIYJQDWDAB-KRWDZBQOSA-N 2 2 395.548 -0.010 20 0 GBADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1 ZINC000612553434 1072836678 /nfs/dbraw/zinc/83/66/78/1072836678.db2.gz VBTFXIYJQDWDAB-QGZVFWFLSA-N 2 2 395.548 -0.010 20 0 GBADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1 ZINC000612553434 1072836665 /nfs/dbraw/zinc/83/66/65/1072836665.db2.gz VBTFXIYJQDWDAB-QGZVFWFLSA-N 2 2 395.548 -0.010 20 0 GBADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000612553434 1072836644 /nfs/dbraw/zinc/83/66/44/1072836644.db2.gz VBTFXIYJQDWDAB-QGZVFWFLSA-N 2 2 395.548 -0.010 20 0 GBADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000612553434 1072836621 /nfs/dbraw/zinc/83/66/21/1072836621.db2.gz VBTFXIYJQDWDAB-QGZVFWFLSA-N 2 2 395.548 -0.010 20 0 GBADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000612562116 1072837775 /nfs/dbraw/zinc/83/77/75/1072837775.db2.gz KUCPRSINMZFNMZ-HZPDHXFCSA-N 2 2 396.557 -0.089 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594376 1072841893 /nfs/dbraw/zinc/84/18/93/1072841893.db2.gz LGFXTXDVNRNNNK-KRWDZBQOSA-N 2 2 396.532 -0.075 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594376 1072841885 /nfs/dbraw/zinc/84/18/85/1072841885.db2.gz LGFXTXDVNRNNNK-KRWDZBQOSA-N 2 2 396.532 -0.075 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594377 1072841626 /nfs/dbraw/zinc/84/16/26/1072841626.db2.gz LGFXTXDVNRNNNK-QGZVFWFLSA-N 2 2 396.532 -0.075 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594377 1072841612 /nfs/dbraw/zinc/84/16/12/1072841612.db2.gz LGFXTXDVNRNNNK-QGZVFWFLSA-N 2 2 396.532 -0.075 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612595378 1072841543 /nfs/dbraw/zinc/84/15/43/1072841543.db2.gz GVJQQKOIRUHHHN-GOSISDBHSA-N 2 2 396.532 -0.075 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612595380 1072841417 /nfs/dbraw/zinc/84/14/17/1072841417.db2.gz GVJQQKOIRUHHHN-SFHVURJKSA-N 2 2 396.532 -0.075 20 0 GBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000612595604 1072843220 /nfs/dbraw/zinc/84/32/20/1072843220.db2.gz YASZGMRGLCKRBA-JZXOWHBKSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000612595604 1072843205 /nfs/dbraw/zinc/84/32/05/1072843205.db2.gz YASZGMRGLCKRBA-JZXOWHBKSA-N 2 2 396.532 -0.077 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612599607 1072844528 /nfs/dbraw/zinc/84/45/28/1072844528.db2.gz YXIAWOFIKVYKPG-KRWDZBQOSA-N 2 2 382.505 -0.463 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612599608 1072844679 /nfs/dbraw/zinc/84/46/79/1072844679.db2.gz YXIAWOFIKVYKPG-QGZVFWFLSA-N 2 2 382.505 -0.463 20 0 GBADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612601421 1072844331 /nfs/dbraw/zinc/84/43/31/1072844331.db2.gz QEJTZSZIESERGO-MSOLQXFVSA-N 2 2 394.516 -0.321 20 0 GBADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612601424 1072843998 /nfs/dbraw/zinc/84/39/98/1072843998.db2.gz QEJTZSZIESERGO-QZTJIDSGSA-N 2 2 394.516 -0.321 20 0 GBADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612601426 1072844423 /nfs/dbraw/zinc/84/44/23/1072844423.db2.gz QEJTZSZIESERGO-ROUUACIJSA-N 2 2 394.516 -0.321 20 0 GBADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612601438 1072844222 /nfs/dbraw/zinc/84/42/22/1072844222.db2.gz QEJTZSZIESERGO-ZWKOTPCHSA-N 2 2 394.516 -0.321 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777460 1072870125 /nfs/dbraw/zinc/87/01/25/1072870125.db2.gz JWUQLSLMIOZABR-GOSISDBHSA-N 2 2 396.532 -0.624 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777461 1072870053 /nfs/dbraw/zinc/87/00/53/1072870053.db2.gz JWUQLSLMIOZABR-SFHVURJKSA-N 2 2 396.532 -0.624 20 0 GBADLP C[C@]1(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000612868855 1072882661 /nfs/dbraw/zinc/88/26/61/1072882661.db2.gz CWVXAVAOQDYMNK-KRWDZBQOSA-N 2 2 396.517 -0.415 20 0 GBADLP C[C@@]1(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000612868856 1072883205 /nfs/dbraw/zinc/88/32/05/1072883205.db2.gz CWVXAVAOQDYMNK-QGZVFWFLSA-N 2 2 396.517 -0.415 20 0 GBADLP CC(C)COC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613417188 530463086 /nfs/dbraw/zinc/46/30/86/530463086.db2.gz PXNLQTQEVXHBPT-INIZCTEOSA-N 2 2 378.539 -0.870 20 0 GBADLP CC(C)COC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613417191 530463234 /nfs/dbraw/zinc/46/32/34/530463234.db2.gz PXNLQTQEVXHBPT-MRXNPFEDSA-N 2 2 378.539 -0.870 20 0 GBADLP COC(=O)C1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000613505070 1072951903 /nfs/dbraw/zinc/95/19/03/1072951903.db2.gz OPNNGCNUZUXFHL-UHFFFAOYSA-N 2 2 380.489 -0.364 20 0 GBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000613552503 1073015133 /nfs/dbraw/zinc/01/51/33/1073015133.db2.gz GHTVTWSLCRKOEN-GJZGRUSLSA-N 2 2 396.488 -0.190 20 0 GBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000613552504 1073015431 /nfs/dbraw/zinc/01/54/31/1073015431.db2.gz GHTVTWSLCRKOEN-HUUCEWRRSA-N 2 2 396.488 -0.190 20 0 GBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000613552555 1073015342 /nfs/dbraw/zinc/01/53/42/1073015342.db2.gz KGEOBIANMLOMOQ-GJZGRUSLSA-N 2 2 396.488 -0.190 20 0 GBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000613552556 1073015061 /nfs/dbraw/zinc/01/50/61/1073015061.db2.gz KGEOBIANMLOMOQ-HUUCEWRRSA-N 2 2 396.488 -0.190 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000613986103 1073668511 /nfs/dbraw/zinc/66/85/11/1073668511.db2.gz LOZVPMXXOJFNNL-NCOADZHNSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000613986103 1073668506 /nfs/dbraw/zinc/66/85/06/1073668506.db2.gz LOZVPMXXOJFNNL-NCOADZHNSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000613986104 1073668714 /nfs/dbraw/zinc/66/87/14/1073668714.db2.gz LOZVPMXXOJFNNL-VQHPVUNQSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000613986104 1073668710 /nfs/dbraw/zinc/66/87/10/1073668710.db2.gz LOZVPMXXOJFNNL-VQHPVUNQSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000613986104 1073668706 /nfs/dbraw/zinc/66/87/06/1073668706.db2.gz LOZVPMXXOJFNNL-VQHPVUNQSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000613986104 1073668704 /nfs/dbraw/zinc/66/87/04/1073668704.db2.gz LOZVPMXXOJFNNL-VQHPVUNQSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000613986105 1073668970 /nfs/dbraw/zinc/66/89/70/1073668970.db2.gz LOZVPMXXOJFNNL-YVSFHVDLSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000613986105 1073668965 /nfs/dbraw/zinc/66/89/65/1073668965.db2.gz LOZVPMXXOJFNNL-YVSFHVDLSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000613986105 1073668960 /nfs/dbraw/zinc/66/89/60/1073668960.db2.gz LOZVPMXXOJFNNL-YVSFHVDLSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000613986105 1073668953 /nfs/dbraw/zinc/66/89/53/1073668953.db2.gz LOZVPMXXOJFNNL-YVSFHVDLSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000613986106 1073668695 /nfs/dbraw/zinc/66/86/95/1073668695.db2.gz LOZVPMXXOJFNNL-ZYGGUILKSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000613986106 1073668691 /nfs/dbraw/zinc/66/86/91/1073668691.db2.gz LOZVPMXXOJFNNL-ZYGGUILKSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000613986106 1073668688 /nfs/dbraw/zinc/66/86/88/1073668688.db2.gz LOZVPMXXOJFNNL-ZYGGUILKSA-N 2 2 382.505 -0.419 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000613986106 1073668685 /nfs/dbraw/zinc/66/86/85/1073668685.db2.gz LOZVPMXXOJFNNL-ZYGGUILKSA-N 2 2 382.505 -0.419 20 0 GBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000613992991 1073678467 /nfs/dbraw/zinc/67/84/67/1073678467.db2.gz GPJJLVILCJYPSP-HOTGVXAUSA-N 2 2 378.498 -0.329 20 0 GBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000613992995 1073678520 /nfs/dbraw/zinc/67/85/20/1073678520.db2.gz GPJJLVILCJYPSP-HZPDHXFCSA-N 2 2 378.498 -0.329 20 0 GBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000613996137 1073694323 /nfs/dbraw/zinc/69/43/23/1073694323.db2.gz PZBYMEJAXHTTSL-QZTJIDSGSA-N 2 2 392.525 -0.188 20 0 GBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000613996138 1073694782 /nfs/dbraw/zinc/69/47/82/1073694782.db2.gz PZBYMEJAXHTTSL-ROUUACIJSA-N 2 2 392.525 -0.188 20 0 GBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000613996224 1073693217 /nfs/dbraw/zinc/69/32/17/1073693217.db2.gz QTSLSQBBHJVUJX-GJZGRUSLSA-N 2 2 396.488 -0.190 20 0 GBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000613996225 1073693240 /nfs/dbraw/zinc/69/32/40/1073693240.db2.gz QTSLSQBBHJVUJX-HUUCEWRRSA-N 2 2 396.488 -0.190 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613997247 1073694667 /nfs/dbraw/zinc/69/46/67/1073694667.db2.gz VKIMANZJPORXEE-GJZGRUSLSA-N 2 2 397.501 -0.724 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613997253 1073694478 /nfs/dbraw/zinc/69/44/78/1073694478.db2.gz VKIMANZJPORXEE-HUUCEWRRSA-N 2 2 397.501 -0.724 20 0 GBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNS(=O)(=O)N(C)C)CC2)CC1 ZINC000616380957 530072910 /nfs/dbraw/zinc/07/29/10/530072910.db2.gz GAWLGDDTGYZQEA-UHFFFAOYSA-N 2 2 375.539 -0.599 20 0 GBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNS(=O)(=O)N(C)C)CC2)CC1 ZINC000616380957 530072908 /nfs/dbraw/zinc/07/29/08/530072908.db2.gz GAWLGDDTGYZQEA-UHFFFAOYSA-N 2 2 375.539 -0.599 20 0 GBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cnn(C[C@@H](O)CO)c3)CC2)CC1 ZINC000616381120 1072145802 /nfs/dbraw/zinc/14/58/02/1072145802.db2.gz JMFJFPBDXTVOOS-GOSISDBHSA-N 2 2 379.505 -0.132 20 0 GBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cnn(C[C@@H](O)CO)c3)CC2)CC1 ZINC000616381120 1072145781 /nfs/dbraw/zinc/14/57/81/1072145781.db2.gz JMFJFPBDXTVOOS-GOSISDBHSA-N 2 2 379.505 -0.132 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000616781427 1072296580 /nfs/dbraw/zinc/29/65/80/1072296580.db2.gz KOXPKPHWGDOVGC-BRSBDYLESA-N 2 2 396.532 -0.029 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000616781427 1072296575 /nfs/dbraw/zinc/29/65/75/1072296575.db2.gz KOXPKPHWGDOVGC-BRSBDYLESA-N 2 2 396.532 -0.029 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000616783767 1072299503 /nfs/dbraw/zinc/29/95/03/1072299503.db2.gz KOXPKPHWGDOVGC-FZDBZEDMSA-N 2 2 396.532 -0.029 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000616783767 1072299493 /nfs/dbraw/zinc/29/94/93/1072299493.db2.gz KOXPKPHWGDOVGC-FZDBZEDMSA-N 2 2 396.532 -0.029 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000616783767 1072299477 /nfs/dbraw/zinc/29/94/77/1072299477.db2.gz KOXPKPHWGDOVGC-FZDBZEDMSA-N 2 2 396.532 -0.029 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000616783767 1072299463 /nfs/dbraw/zinc/29/94/63/1072299463.db2.gz KOXPKPHWGDOVGC-FZDBZEDMSA-N 2 2 396.532 -0.029 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000617768476 530297144 /nfs/dbraw/zinc/29/71/44/530297144.db2.gz FWDPRFHDCDNQIY-UHFFFAOYSA-N 2 2 390.282 -0.289 20 0 GBADLP CNS(=O)(=O)CC[NH+]1CCCC2(CCC[N@H+](CCS(=O)(=O)NC)C2)C1 ZINC000621296310 530116931 /nfs/dbraw/zinc/11/69/31/530116931.db2.gz OKJSQMSDQMGMBD-UHFFFAOYSA-N 2 2 396.579 -0.737 20 0 GBADLP CNS(=O)(=O)CC[NH+]1CCCC2(CCC[N@@H+](CCS(=O)(=O)NC)C2)C1 ZINC000621296310 530116928 /nfs/dbraw/zinc/11/69/28/530116928.db2.gz OKJSQMSDQMGMBD-UHFFFAOYSA-N 2 2 396.579 -0.737 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000622144683 530129025 /nfs/dbraw/zinc/12/90/25/530129025.db2.gz VALVFXYPTPVLKA-UHFFFAOYSA-N 2 2 375.495 -0.431 20 0 GBADLP Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000622144683 530129022 /nfs/dbraw/zinc/12/90/22/530129022.db2.gz VALVFXYPTPVLKA-UHFFFAOYSA-N 2 2 375.495 -0.431 20 0 GBADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCOC3CCOCC3)CC2)CC1 ZINC000625081757 530075409 /nfs/dbraw/zinc/07/54/09/530075409.db2.gz VKOITHMFGKOJJL-UHFFFAOYSA-N 2 2 376.523 -0.708 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000625541394 1072572690 /nfs/dbraw/zinc/57/26/90/1072572690.db2.gz WBQRLEBLFIUJRW-KRWDZBQOSA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000625541394 1072572673 /nfs/dbraw/zinc/57/26/73/1072572673.db2.gz WBQRLEBLFIUJRW-KRWDZBQOSA-N 2 2 393.532 -0.258 20 0 GBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000627458361 1072356530 /nfs/dbraw/zinc/35/65/30/1072356530.db2.gz DRFRLKIFQYVLLA-UONOGXRCSA-N 2 2 386.460 -0.731 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000628215764 1072616070 /nfs/dbraw/zinc/61/60/70/1072616070.db2.gz SOLMRWJVFGDPTN-IXDOHACOSA-N 2 2 382.505 -0.465 20 0 GBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000628215764 1072616059 /nfs/dbraw/zinc/61/60/59/1072616059.db2.gz SOLMRWJVFGDPTN-IXDOHACOSA-N 2 2 382.505 -0.465 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000628215764 1072616049 /nfs/dbraw/zinc/61/60/49/1072616049.db2.gz SOLMRWJVFGDPTN-IXDOHACOSA-N 2 2 382.505 -0.465 20 0 GBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000628215764 1072616040 /nfs/dbraw/zinc/61/60/40/1072616040.db2.gz SOLMRWJVFGDPTN-IXDOHACOSA-N 2 2 382.505 -0.465 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000629561388 530399383 /nfs/dbraw/zinc/39/93/83/530399383.db2.gz IVMISQSBGKPYGJ-NEPJUHHUSA-N 2 2 388.456 -0.157 20 0 GBADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)S(C)(=O)=O ZINC000629561388 530399380 /nfs/dbraw/zinc/39/93/80/530399380.db2.gz IVMISQSBGKPYGJ-NEPJUHHUSA-N 2 2 388.456 -0.157 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000629561389 530399538 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CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631899344 530140557 /nfs/dbraw/zinc/14/05/57/530140557.db2.gz MBAMJXBKPDRRES-OAHLLOKOSA-N 2 2 376.523 -0.867 20 0 GBADLP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631899344 530140555 /nfs/dbraw/zinc/14/05/55/530140555.db2.gz MBAMJXBKPDRRES-OAHLLOKOSA-N 2 2 376.523 -0.867 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631911492 530140157 /nfs/dbraw/zinc/14/01/57/530140157.db2.gz HOQXUGSJYIOIHO-HNNXBMFYSA-N 2 2 376.523 -0.819 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631911492 530140154 /nfs/dbraw/zinc/14/01/54/530140154.db2.gz HOQXUGSJYIOIHO-HNNXBMFYSA-N 2 2 376.523 -0.819 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631911493 530140669 /nfs/dbraw/zinc/14/06/69/530140669.db2.gz HOQXUGSJYIOIHO-OAHLLOKOSA-N 2 2 376.523 -0.819 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 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MLNYFXNMZNASRG-UHFFFAOYSA-N 2 2 396.579 -0.644 20 0 GBADLP C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000632287652 530143756 /nfs/dbraw/zinc/14/37/56/530143756.db2.gz QKWJAYFSKGMDEE-CALCHBBNSA-N 2 2 376.567 -0.005 20 0 GBADLP C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000632287652 530143754 /nfs/dbraw/zinc/14/37/54/530143754.db2.gz QKWJAYFSKGMDEE-CALCHBBNSA-N 2 2 376.567 -0.005 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632287830 530143532 /nfs/dbraw/zinc/14/35/32/530143532.db2.gz YDZLZCYYDIKTGT-UHFFFAOYSA-N 2 2 376.567 -0.004 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632287830 530143530 /nfs/dbraw/zinc/14/35/30/530143530.db2.gz YDZLZCYYDIKTGT-UHFFFAOYSA-N 2 2 376.567 -0.004 20 0 GBADLP C[N@H+]1CCO[C@H](CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000632363769 530145349 /nfs/dbraw/zinc/14/53/49/530145349.db2.gz XREJGERWHWEGRI-HNNXBMFYSA-N 2 2 376.523 -0.771 20 0 GBADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000632363769 530145348 /nfs/dbraw/zinc/14/53/48/530145348.db2.gz XREJGERWHWEGRI-HNNXBMFYSA-N 2 2 376.523 -0.771 20 0 GBADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000632363770 530145045 /nfs/dbraw/zinc/14/50/45/530145045.db2.gz XREJGERWHWEGRI-OAHLLOKOSA-N 2 2 376.523 -0.771 20 0 GBADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000632363770 530145039 /nfs/dbraw/zinc/14/50/39/530145039.db2.gz XREJGERWHWEGRI-OAHLLOKOSA-N 2 2 376.523 -0.771 20 0 GBADLP CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632462066 530145993 /nfs/dbraw/zinc/14/59/93/530145993.db2.gz GZMJHKGVFSCGTQ-UHFFFAOYSA-N 2 2 376.567 -0.004 20 0 GBADLP COCC(C)(C)[NH+]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632482734 530145784 /nfs/dbraw/zinc/14/57/84/530145784.db2.gz JMOJYDIFCAIAPZ-UHFFFAOYSA-N 2 2 376.567 -0.004 20 0 GBADLP COCC[N@H+]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C(C)(C)C1 ZINC000632513828 530145669 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375.539 -0.217 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000635079909 1072477866 /nfs/dbraw/zinc/47/78/66/1072477866.db2.gz ZAWZJMBVGNHUFE-AWEZNQCLSA-N 2 2 378.477 -0.387 20 0 GBADLP C[N@H+]1CC[C@@H](CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000635288855 1072511926 /nfs/dbraw/zinc/51/19/26/1072511926.db2.gz ODPSNZURTTVTNY-INIZCTEOSA-N 2 2 395.529 -0.009 20 0 GBADLP C[N@@H+]1CC[C@@H](CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000635288855 1072511917 /nfs/dbraw/zinc/51/19/17/1072511917.db2.gz ODPSNZURTTVTNY-INIZCTEOSA-N 2 2 395.529 -0.009 20 0 GBADLP CN(C(=O)[C@@]1(C)CCN(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000635530712 1072549700 /nfs/dbraw/zinc/54/97/00/1072549700.db2.gz JVADBOJQTJKYFH-FQEVSTJZSA-N 2 2 393.532 -0.448 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000635559169 1072572849 /nfs/dbraw/zinc/57/28/49/1072572849.db2.gz FZXVIHOXAYLSSX-DLBZAZTESA-N 2 2 376.505 -0.099 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000635559169 1072572842 /nfs/dbraw/zinc/57/28/42/1072572842.db2.gz FZXVIHOXAYLSSX-DLBZAZTESA-N 2 2 376.505 -0.099 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000635559170 1072573295 /nfs/dbraw/zinc/57/32/95/1072573295.db2.gz FZXVIHOXAYLSSX-IAGOWNOFSA-N 2 2 376.505 -0.099 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000635559170 1072573286 /nfs/dbraw/zinc/57/32/86/1072573286.db2.gz FZXVIHOXAYLSSX-IAGOWNOFSA-N 2 2 376.505 -0.099 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000635559171 1072573175 /nfs/dbraw/zinc/57/31/75/1072573175.db2.gz FZXVIHOXAYLSSX-IRXDYDNUSA-N 2 2 376.505 -0.099 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000635559171 1072573165 /nfs/dbraw/zinc/57/31/65/1072573165.db2.gz FZXVIHOXAYLSSX-IRXDYDNUSA-N 2 2 376.505 -0.099 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000635559172 1072572905 /nfs/dbraw/zinc/57/29/05/1072572905.db2.gz FZXVIHOXAYLSSX-SJORKVTESA-N 2 2 376.505 -0.099 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000635559172 1072572896 /nfs/dbraw/zinc/57/28/96/1072572896.db2.gz FZXVIHOXAYLSSX-SJORKVTESA-N 2 2 376.505 -0.099 20 0 GBADLP COC[C@@]1(C)CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000636638849 1073374110 /nfs/dbraw/zinc/37/41/10/1073374110.db2.gz GHEMVXYHODVZII-HXUWFJFHSA-N 2 2 396.532 -0.075 20 0 GBADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)n1C ZINC000636692471 1073550641 /nfs/dbraw/zinc/55/06/41/1073550641.db2.gz UNYQXCBPFXJYGS-UHFFFAOYSA-N 2 2 392.504 -0.184 20 0 GBADLP CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@](C)(CO)C1 ZINC000636706595 1073555068 /nfs/dbraw/zinc/55/50/68/1073555068.db2.gz BYHYBGYSYMYZFF-ALKREAHSSA-N 2 2 382.505 -0.731 20 0 GBADLP CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@](C)(CO)C1 ZINC000636706595 1073555060 /nfs/dbraw/zinc/55/50/60/1073555060.db2.gz BYHYBGYSYMYZFF-ALKREAHSSA-N 2 2 382.505 -0.731 20 0 GBADLP CO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@](C)(CO)C1 ZINC000636706596 1073555468 /nfs/dbraw/zinc/55/54/68/1073555468.db2.gz BYHYBGYSYMYZFF-QOKNQOGYSA-N 2 2 382.505 -0.731 20 0 GBADLP CO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@](C)(CO)C1 ZINC000636706596 1073555456 /nfs/dbraw/zinc/55/54/56/1073555456.db2.gz BYHYBGYSYMYZFF-QOKNQOGYSA-N 2 2 382.505 -0.731 20 0 GBADLP CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@](C)(CO)C1 ZINC000636706597 1073555617 /nfs/dbraw/zinc/55/56/17/1073555617.db2.gz BYHYBGYSYMYZFF-SIXWZSSISA-N 2 2 382.505 -0.731 20 0 GBADLP CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@](C)(CO)C1 ZINC000636706597 1073555608 /nfs/dbraw/zinc/55/56/08/1073555608.db2.gz BYHYBGYSYMYZFF-SIXWZSSISA-N 2 2 382.505 -0.731 20 0 GBADLP CO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@](C)(CO)C1 ZINC000636706598 1073555357 /nfs/dbraw/zinc/55/53/57/1073555357.db2.gz BYHYBGYSYMYZFF-URLQWDBASA-N 2 2 382.505 -0.731 20 0 GBADLP CO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@](C)(CO)C1 ZINC000636706598 1073555352 /nfs/dbraw/zinc/55/53/52/1073555352.db2.gz BYHYBGYSYMYZFF-URLQWDBASA-N 2 2 382.505 -0.731 20 0 GBADLP CCOC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707360 1073555287 /nfs/dbraw/zinc/55/52/87/1073555287.db2.gz MFKLCOSTOSVVSE-RDJZCZTQSA-N 2 2 382.505 -0.465 20 0 GBADLP CCOC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707360 1073555283 /nfs/dbraw/zinc/55/52/83/1073555283.db2.gz MFKLCOSTOSVVSE-RDJZCZTQSA-N 2 2 382.505 -0.465 20 0 GBADLP CCOC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707361 1073555201 /nfs/dbraw/zinc/55/52/01/1073555201.db2.gz MFKLCOSTOSVVSE-WBVHZDCISA-N 2 2 382.505 -0.465 20 0 GBADLP CCOC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707361 1073555194 /nfs/dbraw/zinc/55/51/94/1073555194.db2.gz MFKLCOSTOSVVSE-WBVHZDCISA-N 2 2 382.505 -0.465 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C2)CC1 ZINC000636707656 1073554983 /nfs/dbraw/zinc/55/49/83/1073554983.db2.gz QLSUUEMJBNPUEB-RZQQEMMASA-N 2 2 378.517 -0.108 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C2)CC1 ZINC000636707656 1073554981 /nfs/dbraw/zinc/55/49/81/1073554981.db2.gz QLSUUEMJBNPUEB-RZQQEMMASA-N 2 2 378.517 -0.108 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C2)CC1 ZINC000636707657 1073555332 /nfs/dbraw/zinc/55/53/32/1073555332.db2.gz QLSUUEMJBNPUEB-TWOQFEAHSA-N 2 2 378.517 -0.108 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)C2)CC1 ZINC000636707657 1073555326 /nfs/dbraw/zinc/55/53/26/1073555326.db2.gz QLSUUEMJBNPUEB-TWOQFEAHSA-N 2 2 378.517 -0.108 20 0 GBADLP COC[C@]1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707857 1073554774 /nfs/dbraw/zinc/55/47/74/1073554774.db2.gz UQEFUISYZQLRTJ-BEFAXECRSA-N 2 2 382.505 -0.465 20 0 GBADLP COC[C@]1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707857 1073554764 /nfs/dbraw/zinc/55/47/64/1073554764.db2.gz UQEFUISYZQLRTJ-BEFAXECRSA-N 2 2 382.505 -0.465 20 0 GBADLP COC[C@@]1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707858 1073555777 /nfs/dbraw/zinc/55/57/77/1073555777.db2.gz UQEFUISYZQLRTJ-DNVCBOLYSA-N 2 2 382.505 -0.465 20 0 GBADLP COC[C@@]1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707858 1073555765 /nfs/dbraw/zinc/55/57/65/1073555765.db2.gz UQEFUISYZQLRTJ-DNVCBOLYSA-N 2 2 382.505 -0.465 20 0 GBADLP COC[C@@]1(C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707859 1073555165 /nfs/dbraw/zinc/55/51/65/1073555165.db2.gz UQEFUISYZQLRTJ-HNAYVOBHSA-N 2 2 382.505 -0.465 20 0 GBADLP COC[C@@]1(C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707859 1073555154 /nfs/dbraw/zinc/55/51/54/1073555154.db2.gz UQEFUISYZQLRTJ-HNAYVOBHSA-N 2 2 382.505 -0.465 20 0 GBADLP COC[C@]1(C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707860 1073555726 /nfs/dbraw/zinc/55/57/26/1073555726.db2.gz UQEFUISYZQLRTJ-KXBFYZLASA-N 2 2 382.505 -0.465 20 0 GBADLP COC[C@]1(C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000636707860 1073555716 /nfs/dbraw/zinc/55/57/16/1073555716.db2.gz UQEFUISYZQLRTJ-KXBFYZLASA-N 2 2 382.505 -0.465 20 0 GBADLP CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636790639 1073575437 /nfs/dbraw/zinc/57/54/37/1073575437.db2.gz AQGNJYFJFODSOO-GDBMZVCRSA-N 2 2 382.509 -0.506 20 0 GBADLP CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636790639 1073575420 /nfs/dbraw/zinc/57/54/20/1073575420.db2.gz AQGNJYFJFODSOO-GDBMZVCRSA-N 2 2 382.509 -0.506 20 0 GBADLP CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636790655 1073576207 /nfs/dbraw/zinc/57/62/07/1073576207.db2.gz AQGNJYFJFODSOO-GOEBONIOSA-N 2 2 382.509 -0.506 20 0 GBADLP CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636790655 1073576196 /nfs/dbraw/zinc/57/61/96/1073576196.db2.gz AQGNJYFJFODSOO-GOEBONIOSA-N 2 2 382.509 -0.506 20 0 GBADLP CNC(=O)NC[C@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636790656 1073575946 /nfs/dbraw/zinc/57/59/46/1073575946.db2.gz AQGNJYFJFODSOO-HOCLYGCPSA-N 2 2 382.509 -0.506 20 0 GBADLP CNC(=O)NC[C@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636790656 1073575936 /nfs/dbraw/zinc/57/59/36/1073575936.db2.gz AQGNJYFJFODSOO-HOCLYGCPSA-N 2 2 382.509 -0.506 20 0 GBADLP CNC(=O)NC[C@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636790657 1073574748 /nfs/dbraw/zinc/57/47/48/1073574748.db2.gz AQGNJYFJFODSOO-ZBFHGGJFSA-N 2 2 382.509 -0.506 20 0 GBADLP CNC(=O)NC[C@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636790657 1073574736 /nfs/dbraw/zinc/57/47/36/1073574736.db2.gz AQGNJYFJFODSOO-ZBFHGGJFSA-N 2 2 382.509 -0.506 20 0 GBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791360 1073575786 /nfs/dbraw/zinc/57/57/86/1073575786.db2.gz FXRTUIAWZSMSPW-RDJZCZTQSA-N 3 2 380.537 -0.206 20 0 GBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791360 1073575778 /nfs/dbraw/zinc/57/57/78/1073575778.db2.gz FXRTUIAWZSMSPW-RDJZCZTQSA-N 3 2 380.537 -0.206 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791360 1073575766 /nfs/dbraw/zinc/57/57/66/1073575766.db2.gz FXRTUIAWZSMSPW-RDJZCZTQSA-N 3 2 380.537 -0.206 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791360 1073575758 /nfs/dbraw/zinc/57/57/58/1073575758.db2.gz FXRTUIAWZSMSPW-RDJZCZTQSA-N 3 2 380.537 -0.206 20 0 GBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791372 1073575687 /nfs/dbraw/zinc/57/56/87/1073575687.db2.gz FXRTUIAWZSMSPW-WBVHZDCISA-N 3 2 380.537 -0.206 20 0 GBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791372 1073575678 /nfs/dbraw/zinc/57/56/78/1073575678.db2.gz FXRTUIAWZSMSPW-WBVHZDCISA-N 3 2 380.537 -0.206 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791372 1073575674 /nfs/dbraw/zinc/57/56/74/1073575674.db2.gz FXRTUIAWZSMSPW-WBVHZDCISA-N 3 2 380.537 -0.206 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791372 1073575662 /nfs/dbraw/zinc/57/56/62/1073575662.db2.gz FXRTUIAWZSMSPW-WBVHZDCISA-N 3 2 380.537 -0.206 20 0 GBADLP C[NH+](C)CCOCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000636799656 1073577667 /nfs/dbraw/zinc/57/76/67/1073577667.db2.gz SHGXIKUDZLKHPG-UHFFFAOYSA-N 2 2 395.529 -0.055 20 0 GBADLP C[C@H](CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C[NH+]1CCOCC1 ZINC000636822412 1073579941 /nfs/dbraw/zinc/57/99/41/1073579941.db2.gz FTGJEASVEZGWAD-APWZRJJASA-N 2 2 384.521 -0.130 20 0 GBADLP C[C@H](CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C[NH+]1CCOCC1 ZINC000636822412 1073579930 /nfs/dbraw/zinc/57/99/30/1073579930.db2.gz FTGJEASVEZGWAD-APWZRJJASA-N 2 2 384.521 -0.130 20 0 GBADLP C[C@@H](CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C[NH+]1CCOCC1 ZINC000636822413 1073579814 /nfs/dbraw/zinc/57/98/14/1073579814.db2.gz FTGJEASVEZGWAD-LPHOPBHVSA-N 2 2 384.521 -0.130 20 0 GBADLP C[C@@H](CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C[NH+]1CCOCC1 ZINC000636822413 1073579800 /nfs/dbraw/zinc/57/98/00/1073579800.db2.gz FTGJEASVEZGWAD-LPHOPBHVSA-N 2 2 384.521 -0.130 20 0 GBADLP C[C@@H](CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C[NH+]1CCOCC1 ZINC000636822414 1073580040 /nfs/dbraw/zinc/58/00/40/1073580040.db2.gz FTGJEASVEZGWAD-QFBILLFUSA-N 2 2 384.521 -0.130 20 0 GBADLP C[C@@H](CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C[NH+]1CCOCC1 ZINC000636822414 1073580030 /nfs/dbraw/zinc/58/00/30/1073580030.db2.gz FTGJEASVEZGWAD-QFBILLFUSA-N 2 2 384.521 -0.130 20 0 GBADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637377055 1073662960 /nfs/dbraw/zinc/66/29/60/1073662960.db2.gz URBZHALYSNVVQK-KRWDZBQOSA-N 3 2 382.553 -0.006 20 0 GBADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637377055 1073662955 /nfs/dbraw/zinc/66/29/55/1073662955.db2.gz URBZHALYSNVVQK-KRWDZBQOSA-N 3 2 382.553 -0.006 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637377055 1073662950 /nfs/dbraw/zinc/66/29/50/1073662950.db2.gz URBZHALYSNVVQK-KRWDZBQOSA-N 3 2 382.553 -0.006 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637377055 1073662947 /nfs/dbraw/zinc/66/29/47/1073662947.db2.gz URBZHALYSNVVQK-KRWDZBQOSA-N 3 2 382.553 -0.006 20 0 GBADLP CNS(=O)(=O)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637670292 530232162 /nfs/dbraw/zinc/23/21/62/530232162.db2.gz CFLPIDVNVRLNMH-HNNXBMFYSA-N 2 2 375.539 -0.264 20 0 GBADLP CNS(=O)(=O)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637670292 530232160 /nfs/dbraw/zinc/23/21/60/530232160.db2.gz CFLPIDVNVRLNMH-HNNXBMFYSA-N 2 2 375.539 -0.264 20 0 GBADLP CNS(=O)(=O)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637670298 530232138 /nfs/dbraw/zinc/23/21/38/530232138.db2.gz CFLPIDVNVRLNMH-OAHLLOKOSA-N 2 2 375.539 -0.264 20 0 GBADLP CNS(=O)(=O)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637670298 530232136 /nfs/dbraw/zinc/23/21/36/530232136.db2.gz CFLPIDVNVRLNMH-OAHLLOKOSA-N 2 2 375.539 -0.264 20 0 GBADLP CC(C)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000637933087 530244010 /nfs/dbraw/zinc/24/40/10/530244010.db2.gz XSPGJNKTMDYBLJ-HNNXBMFYSA-N 2 2 375.539 -0.614 20 0 GBADLP CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000637933088 530244018 /nfs/dbraw/zinc/24/40/18/530244018.db2.gz XSPGJNKTMDYBLJ-OAHLLOKOSA-N 2 2 375.539 -0.614 20 0 GBADLP C[C@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)N1CC[NH2+]CC1=O ZINC000637954719 1072618325 /nfs/dbraw/zinc/61/83/25/1072618325.db2.gz ZMKIHOJKKCUOEZ-CYBMUJFWSA-N 2 2 380.411 -0.080 20 0 GBADLP C[C@@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)N1CC[NH2+]CC1=O ZINC000637954721 1072618341 /nfs/dbraw/zinc/61/83/41/1072618341.db2.gz ZMKIHOJKKCUOEZ-ZDUSSCGKSA-N 2 2 380.411 -0.080 20 0 GBADLP [NH3+]C[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCCOC1 ZINC000638284303 1072755834 /nfs/dbraw/zinc/75/58/34/1072755834.db2.gz QMJTVBGJLLONBE-LJQANCHMSA-N 2 2 390.488 -0.283 20 0 GBADLP [NH3+]C[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCCOC1 ZINC000638284303 1072755829 /nfs/dbraw/zinc/75/58/29/1072755829.db2.gz QMJTVBGJLLONBE-LJQANCHMSA-N 2 2 390.488 -0.283 20 0 GBADLP C[C@H](C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638341335 1072778874 /nfs/dbraw/zinc/77/88/74/1072778874.db2.gz WRPNIIVAZXPYQZ-OAHLLOKOSA-N 2 2 375.473 -0.271 20 0 GBADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000638603866 530263555 /nfs/dbraw/zinc/26/35/55/530263555.db2.gz IJTAWISMVYDYTL-CVEARBPZSA-N 2 2 375.535 -0.691 20 0 GBADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000638603867 530263656 /nfs/dbraw/zinc/26/36/56/530263656.db2.gz IJTAWISMVYDYTL-HOTGVXAUSA-N 2 2 375.535 -0.691 20 0 GBADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000638603868 530263586 /nfs/dbraw/zinc/26/35/86/530263586.db2.gz IJTAWISMVYDYTL-HZPDHXFCSA-N 2 2 375.535 -0.691 20 0 GBADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000638603869 530263791 /nfs/dbraw/zinc/26/37/91/530263791.db2.gz IJTAWISMVYDYTL-JKSUJKDBSA-N 2 2 375.535 -0.691 20 0 GBADLP COc1cc(CN2CC[N@@H+](C)C[C@@H]2CO)cc(CN2CC[NH+](C)C[C@H]2CO)c1 ZINC000639868114 1073717518 /nfs/dbraw/zinc/71/75/18/1073717518.db2.gz RORZYPGWRQCKJM-BGYRXZFFSA-N 2 2 392.544 -0.088 20 0 GBADLP COc1cc(CN2CC[N@H+](C)C[C@@H]2CO)cc(CN2CC[NH+](C)C[C@H]2CO)c1 ZINC000639868114 1073717509 /nfs/dbraw/zinc/71/75/09/1073717509.db2.gz RORZYPGWRQCKJM-BGYRXZFFSA-N 2 2 392.544 -0.088 20 0 GBADLP COc1cc(CN2CC[NH+](C)C[C@@H]2CO)cc(CN2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000639868114 1073717502 /nfs/dbraw/zinc/71/75/02/1073717502.db2.gz RORZYPGWRQCKJM-BGYRXZFFSA-N 2 2 392.544 -0.088 20 0 GBADLP COc1cc(CN2CC[NH+](C)C[C@@H]2CO)cc(CN2CC[N@H+](C)C[C@H]2CO)c1 ZINC000639868114 1073717490 /nfs/dbraw/zinc/71/74/90/1073717490.db2.gz RORZYPGWRQCKJM-BGYRXZFFSA-N 2 2 392.544 -0.088 20 0 GBADLP COc1cc(CN2CC[NH+](C)C[C@@H]2CO)cc(CN2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000639868117 1073717981 /nfs/dbraw/zinc/71/79/81/1073717981.db2.gz RORZYPGWRQCKJM-WOJBJXKFSA-N 2 2 392.544 -0.088 20 0 GBADLP COc1cc(CN2CC[NH+](C)C[C@@H]2CO)cc(CN2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000639868117 1073717971 /nfs/dbraw/zinc/71/79/71/1073717971.db2.gz RORZYPGWRQCKJM-WOJBJXKFSA-N 2 2 392.544 -0.088 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642902197 1072377175 /nfs/dbraw/zinc/37/71/75/1072377175.db2.gz MEAIYQVQZCLQRC-INIZCTEOSA-N 2 2 381.521 -0.353 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642902197 1072377162 /nfs/dbraw/zinc/37/71/62/1072377162.db2.gz MEAIYQVQZCLQRC-INIZCTEOSA-N 2 2 381.521 -0.353 20 0 GBADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642958897 1073016651 /nfs/dbraw/zinc/01/66/51/1073016651.db2.gz IILRSHSDKHUDGP-UAGQMJEPSA-N 3 2 395.548 -0.158 20 0 GBADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642958897 1073016642 /nfs/dbraw/zinc/01/66/42/1073016642.db2.gz IILRSHSDKHUDGP-UAGQMJEPSA-N 3 2 395.548 -0.158 20 0 GBADLP CC[NH+](CC)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000643211939 1073522479 /nfs/dbraw/zinc/52/24/79/1073522479.db2.gz INTPKCPMSZKKTH-UHFFFAOYSA-N 2 2 390.554 -0.852 20 0 GBADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643296857 530197377 /nfs/dbraw/zinc/19/73/77/530197377.db2.gz AXFFYUJXLRLFPP-HNNXBMFYSA-N 2 2 375.539 -0.312 20 0 GBADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643296857 530197375 /nfs/dbraw/zinc/19/73/75/530197375.db2.gz AXFFYUJXLRLFPP-HNNXBMFYSA-N 2 2 375.539 -0.312 20 0 GBADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643296858 530197400 /nfs/dbraw/zinc/19/74/00/530197400.db2.gz AXFFYUJXLRLFPP-OAHLLOKOSA-N 2 2 375.539 -0.312 20 0 GBADLP CN(C)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643296858 530197399 /nfs/dbraw/zinc/19/73/99/530197399.db2.gz AXFFYUJXLRLFPP-OAHLLOKOSA-N 2 2 375.539 -0.312 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000644225733 1073157249 /nfs/dbraw/zinc/15/72/49/1073157249.db2.gz VFXQCGXTVRQMPV-KSZLIROESA-N 2 2 382.468 -0.024 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000644225733 1073157244 /nfs/dbraw/zinc/15/72/44/1073157244.db2.gz VFXQCGXTVRQMPV-KSZLIROESA-N 2 2 382.468 -0.024 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](n4ccnn4)C3)C2)CC1 ZINC000645066399 1073867974 /nfs/dbraw/zinc/86/79/74/1073867974.db2.gz HCWHXMOOUHAMNL-RDJZCZTQSA-N 2 2 389.504 -0.274 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](n4ccnn4)C3)C2)CC1 ZINC000645066399 1073867966 /nfs/dbraw/zinc/86/79/66/1073867966.db2.gz HCWHXMOOUHAMNL-RDJZCZTQSA-N 2 2 389.504 -0.274 20 0 GBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000645170104 1073886953 /nfs/dbraw/zinc/88/69/53/1073886953.db2.gz KHDWGMXCFXLADC-YJBOKZPZSA-N 2 2 399.561 -0.044 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000646104691 530422178 /nfs/dbraw/zinc/42/21/78/530422178.db2.gz SYAZFOHZWQUWJO-UHFFFAOYSA-N 2 2 376.523 -0.819 20 0 GBADLP CN(CCCNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000646104691 530422177 /nfs/dbraw/zinc/42/21/77/530422177.db2.gz SYAZFOHZWQUWJO-UHFFFAOYSA-N 2 2 376.523 -0.819 20 0 GBADLP CCCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000647078957 1072324108 /nfs/dbraw/zinc/32/41/08/1072324108.db2.gz LAGGDTAGONKKSR-KRWDZBQOSA-N 2 2 396.532 -0.073 20 0 GBADLP CCCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000647078957 1072324094 /nfs/dbraw/zinc/32/40/94/1072324094.db2.gz LAGGDTAGONKKSR-KRWDZBQOSA-N 2 2 396.532 -0.073 20 0 GBADLP CCCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647078958 1072324398 /nfs/dbraw/zinc/32/43/98/1072324398.db2.gz LAGGDTAGONKKSR-QGZVFWFLSA-N 2 2 396.532 -0.073 20 0 GBADLP CCCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000647078958 1072324383 /nfs/dbraw/zinc/32/43/83/1072324383.db2.gz LAGGDTAGONKKSR-QGZVFWFLSA-N 2 2 396.532 -0.073 20 0 GBADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000647183865 1072177619 /nfs/dbraw/zinc/17/76/19/1072177619.db2.gz QEFLBKHQKZBVQC-HNNXBMFYSA-N 2 2 386.493 -0.031 20 0 GBADLP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CCO2 ZINC000647555271 1072995797 /nfs/dbraw/zinc/99/57/97/1072995797.db2.gz QDDMCKSIEYXBRM-KRWDZBQOSA-N 2 2 394.516 -0.367 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000647555990 1072996628 /nfs/dbraw/zinc/99/66/28/1072996628.db2.gz HHYIILOTBYRWKR-UHFFFAOYSA-N 2 2 382.505 -0.510 20 0 GBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000647561599 1072999499 /nfs/dbraw/zinc/99/94/99/1072999499.db2.gz YXPNKBXRUMADJW-UHFFFAOYSA-N 2 2 396.532 -0.121 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647563560 1072999287 /nfs/dbraw/zinc/99/92/87/1072999287.db2.gz KMUMYJNKPWFKSY-UHFFFAOYSA-N 2 2 396.532 -0.121 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647563560 1072999281 /nfs/dbraw/zinc/99/92/81/1072999281.db2.gz KMUMYJNKPWFKSY-UHFFFAOYSA-N 2 2 396.532 -0.121 20 0 GBADLP CCCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647566840 1073002129 /nfs/dbraw/zinc/00/21/29/1073002129.db2.gz DOUOXJKAMUYUOF-INIZCTEOSA-N 2 2 381.521 -0.448 20 0 GBADLP CCCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647566840 1073002121 /nfs/dbraw/zinc/00/21/21/1073002121.db2.gz DOUOXJKAMUYUOF-INIZCTEOSA-N 2 2 381.521 -0.448 20 0 GBADLP CCCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647566841 1073002350 /nfs/dbraw/zinc/00/23/50/1073002350.db2.gz DOUOXJKAMUYUOF-MRXNPFEDSA-N 2 2 381.521 -0.448 20 0 GBADLP CCCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647566841 1073002339 /nfs/dbraw/zinc/00/23/39/1073002339.db2.gz DOUOXJKAMUYUOF-MRXNPFEDSA-N 2 2 381.521 -0.448 20 0 GBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000647619514 1073010044 /nfs/dbraw/zinc/01/00/44/1073010044.db2.gz NIVRHUNXXJRICJ-TVFCKZIOSA-N 2 2 398.548 -0.068 20 0 GBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000647619515 1073010076 /nfs/dbraw/zinc/01/00/76/1073010076.db2.gz NIVRHUNXXJRICJ-USTZCAOPSA-N 2 2 398.548 -0.068 20 0 GBADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000647624844 1073010887 /nfs/dbraw/zinc/01/08/87/1073010887.db2.gz OTDXWDSUIMKKME-APWZRJJASA-N 2 2 382.505 -0.918 20 0 GBADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000647624845 1073010865 /nfs/dbraw/zinc/01/08/65/1073010865.db2.gz OTDXWDSUIMKKME-LPHOPBHVSA-N 2 2 382.505 -0.918 20 0 GBADLP CN(C)CC(=O)N[C@]1(CNC(=O)C[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000647674823 1073216705 /nfs/dbraw/zinc/21/67/05/1073216705.db2.gz DITUEOYKCQOZAQ-FQEVSTJZSA-N 2 2 375.517 -0.013 20 0 GBADLP CN(C)CC(=O)N[C@]1(CNC(=O)C[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000647674823 1073216700 /nfs/dbraw/zinc/21/67/00/1073216700.db2.gz DITUEOYKCQOZAQ-FQEVSTJZSA-N 2 2 375.517 -0.013 20 0 GBADLP C[NH+](C)CC(=O)NC[C@@]1(NC(=O)C[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000647674823 1073216690 /nfs/dbraw/zinc/21/66/90/1073216690.db2.gz DITUEOYKCQOZAQ-FQEVSTJZSA-N 3 2 375.517 -0.013 20 0 GBADLP C[NH+](C)CC(=O)NC[C@@]1(NC(=O)C[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000647674823 1073216682 /nfs/dbraw/zinc/21/66/82/1073216682.db2.gz DITUEOYKCQOZAQ-FQEVSTJZSA-N 3 2 375.517 -0.013 20 0 GBADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000647829583 1072132834 /nfs/dbraw/zinc/13/28/34/1072132834.db2.gz BJMNOYUTRVFFIX-INIZCTEOSA-N 2 2 396.513 -0.396 20 0 GBADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000647829583 1072132829 /nfs/dbraw/zinc/13/28/29/1072132829.db2.gz BJMNOYUTRVFFIX-INIZCTEOSA-N 2 2 396.513 -0.396 20 0 GBADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000647829584 1072132477 /nfs/dbraw/zinc/13/24/77/1072132477.db2.gz BJMNOYUTRVFFIX-MRXNPFEDSA-N 2 2 396.513 -0.396 20 0 GBADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000647829584 1072132474 /nfs/dbraw/zinc/13/24/74/1072132474.db2.gz BJMNOYUTRVFFIX-MRXNPFEDSA-N 2 2 396.513 -0.396 20 0 GBADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835033 1073974290 /nfs/dbraw/zinc/97/42/90/1073974290.db2.gz JVVANEUFKDPBNX-UHFFFAOYSA-N 2 2 377.489 -0.105 20 0 GBADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835033 1073974285 /nfs/dbraw/zinc/97/42/85/1073974285.db2.gz JVVANEUFKDPBNX-UHFFFAOYSA-N 2 2 377.489 -0.105 20 0 GBADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000647835927 530212692 /nfs/dbraw/zinc/21/26/92/530212692.db2.gz VEVDPZKBEHXQPH-UHFFFAOYSA-N 2 2 389.909 -0.237 20 0 GBADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000647835927 530212691 /nfs/dbraw/zinc/21/26/91/530212691.db2.gz VEVDPZKBEHXQPH-UHFFFAOYSA-N 2 2 389.909 -0.237 20 0 GBADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000647847362 1072132696 /nfs/dbraw/zinc/13/26/96/1072132696.db2.gz LPFBQVWJYDGYCV-UHFFFAOYSA-N 2 2 384.502 -0.396 20 0 GBADLP C[N@H+](CCC[NH3+])CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000647847362 1072132689 /nfs/dbraw/zinc/13/26/89/1072132689.db2.gz LPFBQVWJYDGYCV-UHFFFAOYSA-N 2 2 384.502 -0.396 20 0 GBADLP CN(C(=O)COC1(C)C[NH2+]C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152481 1072538162 /nfs/dbraw/zinc/53/81/62/1072538162.db2.gz NWPPNWVGQPIFIU-UHFFFAOYSA-N 3 2 381.521 -0.938 20 0 GBADLP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152498 1072538755 /nfs/dbraw/zinc/53/87/55/1072538755.db2.gz SMQNZKNDTDDCJO-FXAWDEMLSA-N 3 2 377.533 -0.317 20 0 GBADLP CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152501 1072538231 /nfs/dbraw/zinc/53/82/31/1072538231.db2.gz SMQNZKNDTDDCJO-YLJYHZDGSA-N 3 2 377.533 -0.317 20 0 GBADLP CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152518 1072538664 /nfs/dbraw/zinc/53/86/64/1072538664.db2.gz WSEQQDRNBBKWOO-MRXNPFEDSA-N 3 2 397.589 -0.222 20 0 GBADLP CN(C(=O)CCOC1C[NH2+]C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152525 1072538428 /nfs/dbraw/zinc/53/84/28/1072538428.db2.gz XGSHKIBYOAWZHI-UHFFFAOYSA-N 3 2 381.521 -0.938 20 0 GBADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000648153546 1072578242 /nfs/dbraw/zinc/57/82/42/1072578242.db2.gz BQNIZXSFEDTGFF-QLFBSQMISA-N 2 2 376.461 -0.879 20 0 GBADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000648153546 1072578235 /nfs/dbraw/zinc/57/82/35/1072578235.db2.gz BQNIZXSFEDTGFF-QLFBSQMISA-N 2 2 376.461 -0.879 20 0 GBADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000648153547 1072578986 /nfs/dbraw/zinc/57/89/86/1072578986.db2.gz BQNIZXSFEDTGFF-SOUVJXGZSA-N 2 2 376.461 -0.879 20 0 GBADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000648153547 1072578976 /nfs/dbraw/zinc/57/89/76/1072578976.db2.gz BQNIZXSFEDTGFF-SOUVJXGZSA-N 2 2 376.461 -0.879 20 0 GBADLP CC1(OCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[NH2+]C1 ZINC000648153653 1072580548 /nfs/dbraw/zinc/58/05/48/1072580548.db2.gz SQUQRZFRIFCOHO-HNNXBMFYSA-N 2 2 390.488 -0.223 20 0 GBADLP CC1(OCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[NH2+]C1 ZINC000648153653 1072580540 /nfs/dbraw/zinc/58/05/40/1072580540.db2.gz SQUQRZFRIFCOHO-HNNXBMFYSA-N 2 2 390.488 -0.223 20 0 GBADLP CC1(OCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[NH2+]C1 ZINC000648153654 1072580698 /nfs/dbraw/zinc/58/06/98/1072580698.db2.gz SQUQRZFRIFCOHO-OAHLLOKOSA-N 2 2 390.488 -0.223 20 0 GBADLP CC1(OCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[NH2+]C1 ZINC000648153654 1072580692 /nfs/dbraw/zinc/58/06/92/1072580692.db2.gz SQUQRZFRIFCOHO-OAHLLOKOSA-N 2 2 390.488 -0.223 20 0 GBADLP CC1(OCC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[NH2+]C1 ZINC000648155646 1072189724 /nfs/dbraw/zinc/18/97/24/1072189724.db2.gz YAZDSDQQISIJNG-UHFFFAOYSA-N 2 2 376.461 -0.660 20 0 GBADLP CC1(OCC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[NH2+]C1 ZINC000648155646 1072189720 /nfs/dbraw/zinc/18/97/20/1072189720.db2.gz YAZDSDQQISIJNG-UHFFFAOYSA-N 2 2 376.461 -0.660 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC000650728647 1072481252 /nfs/dbraw/zinc/48/12/52/1072481252.db2.gz MMXDMTXUIITPKJ-SFHVURJKSA-N 2 2 399.561 -0.390 20 0 GBADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000650863432 1072630977 /nfs/dbraw/zinc/63/09/77/1072630977.db2.gz LEADEDVIRCTMOD-UHFFFAOYSA-N 2 2 399.536 -0.471 20 0 GBADLP CN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651240921 1073235574 /nfs/dbraw/zinc/23/55/74/1073235574.db2.gz MHMAYMWIPRFHDS-GOEBONIOSA-N 2 2 387.550 -0.170 20 0 GBADLP CN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651240921 1073235569 /nfs/dbraw/zinc/23/55/69/1073235569.db2.gz MHMAYMWIPRFHDS-GOEBONIOSA-N 2 2 387.550 -0.170 20 0 GBADLP CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651314827 530141336 /nfs/dbraw/zinc/14/13/36/530141336.db2.gz JJWCIVSHVXVHFL-HNNXBMFYSA-N 2 2 375.539 -0.649 20 0 GBADLP CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651314827 530141333 /nfs/dbraw/zinc/14/13/33/530141333.db2.gz JJWCIVSHVXVHFL-HNNXBMFYSA-N 2 2 375.539 -0.649 20 0 GBADLP CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651314828 530141473 /nfs/dbraw/zinc/14/14/73/530141473.db2.gz JJWCIVSHVXVHFL-OAHLLOKOSA-N 2 2 375.539 -0.649 20 0 GBADLP CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651314828 530141470 /nfs/dbraw/zinc/14/14/70/530141470.db2.gz JJWCIVSHVXVHFL-OAHLLOKOSA-N 2 2 375.539 -0.649 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nc(N)nc(N4CCOCC4)n3)C2)CC1 ZINC000651322107 1073245347 /nfs/dbraw/zinc/24/53/47/1073245347.db2.gz DARKJVZQTBEHSR-CYBMUJFWSA-N 2 2 390.492 -0.981 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nc(N)nc(N4CCOCC4)n3)C2)CC1 ZINC000651322107 1073245342 /nfs/dbraw/zinc/24/53/42/1073245342.db2.gz DARKJVZQTBEHSR-CYBMUJFWSA-N 2 2 390.492 -0.981 20 0 GBADLP COc1cncc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000651704263 1073408072 /nfs/dbraw/zinc/40/80/72/1073408072.db2.gz BDQTUSKTGIYXHV-AWEZNQCLSA-N 2 2 376.461 -0.528 20 0 GBADLP COc1cncc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000651704263 1073408067 /nfs/dbraw/zinc/40/80/67/1073408067.db2.gz BDQTUSKTGIYXHV-AWEZNQCLSA-N 2 2 376.461 -0.528 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000651849929 1073434287 /nfs/dbraw/zinc/43/42/87/1073434287.db2.gz LJDJCUZKCMFEJV-UHFFFAOYSA-N 2 2 396.492 -0.811 20 0 GBADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356927 530178329 /nfs/dbraw/zinc/17/83/29/530178329.db2.gz QQXRFBHZOYGTIW-HUUCEWRRSA-N 2 2 378.539 -0.542 20 0 GBADLP CCO[C@@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356927 530178327 /nfs/dbraw/zinc/17/83/27/530178327.db2.gz QQXRFBHZOYGTIW-HUUCEWRRSA-N 2 2 378.539 -0.542 20 0 GBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000652357856 1073504906 /nfs/dbraw/zinc/50/49/06/1073504906.db2.gz IAUDBXBALZRZGC-YSVLISHTSA-N 2 2 398.529 -0.323 20 0 GBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000652357856 1073504902 /nfs/dbraw/zinc/50/49/02/1073504902.db2.gz IAUDBXBALZRZGC-YSVLISHTSA-N 2 2 398.529 -0.323 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1=O ZINC000652411726 1073514170 /nfs/dbraw/zinc/51/41/70/1073514170.db2.gz KTLOTDWOSXHBOF-AWEZNQCLSA-N 2 2 376.461 -0.652 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1=O ZINC000652411727 1073514307 /nfs/dbraw/zinc/51/43/07/1073514307.db2.gz KTLOTDWOSXHBOF-CQSZACIVSA-N 2 2 376.461 -0.652 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1=O ZINC000652429962 1073517047 /nfs/dbraw/zinc/51/70/47/1073517047.db2.gz CWTMYZDFFDUNFK-HNNXBMFYSA-N 2 2 376.461 -0.721 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1=O ZINC000652429963 1073517102 /nfs/dbraw/zinc/51/71/02/1073517102.db2.gz CWTMYZDFFDUNFK-OAHLLOKOSA-N 2 2 376.461 -0.721 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1=O ZINC000652451035 1073519764 /nfs/dbraw/zinc/51/97/64/1073519764.db2.gz PFBSFFWJJSPZGP-UHFFFAOYSA-N 2 2 376.461 -0.652 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1=O ZINC000652451035 1073519757 /nfs/dbraw/zinc/51/97/57/1073519757.db2.gz PFBSFFWJJSPZGP-UHFFFAOYSA-N 2 2 376.461 -0.652 20 0 GBADLP C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000652478573 1073525899 /nfs/dbraw/zinc/52/58/99/1073525899.db2.gz LAZCIMPJKJVNJH-CVEARBPZSA-N 2 2 390.488 -0.475 20 0 GBADLP C[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000652478574 1073526100 /nfs/dbraw/zinc/52/61/00/1073526100.db2.gz LAZCIMPJKJVNJH-HOTGVXAUSA-N 2 2 390.488 -0.475 20 0 GBADLP C[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000652478576 1073526132 /nfs/dbraw/zinc/52/61/32/1073526132.db2.gz LAZCIMPJKJVNJH-JKSUJKDBSA-N 2 2 390.488 -0.475 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652550803 1073534824 /nfs/dbraw/zinc/53/48/24/1073534824.db2.gz YJVLHCYRNUWDHT-IAGOWNOFSA-N 2 2 396.532 -0.124 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652550803 1073534808 /nfs/dbraw/zinc/53/48/08/1073534808.db2.gz YJVLHCYRNUWDHT-IAGOWNOFSA-N 2 2 396.532 -0.124 20 0 GBADLP COCCOCC[NH+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000652611371 1073545245 /nfs/dbraw/zinc/54/52/45/1073545245.db2.gz GMPOQGLMWJJJLH-UHFFFAOYSA-N 2 2 393.492 -0.301 20 0 GBADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000652629674 1073547614 /nfs/dbraw/zinc/54/76/14/1073547614.db2.gz PGLZYUAHBDIPHR-KXBFYZLASA-N 2 2 390.488 -0.259 20 0 GBADLP CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C[C@H]1C[NH3+] ZINC000652636522 1073552832 /nfs/dbraw/zinc/55/28/32/1073552832.db2.gz NMFWBVSQJSHOFK-GDBMZVCRSA-N 2 2 391.472 -0.013 20 0 GBADLP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652673263 1073628572 /nfs/dbraw/zinc/62/85/72/1073628572.db2.gz JBJRGIXTUYXDMJ-LTIDMASMSA-N 2 2 382.505 -0.432 20 0 GBADLP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652673265 1073628811 /nfs/dbraw/zinc/62/88/11/1073628811.db2.gz JBJRGIXTUYXDMJ-WCXIOVBPSA-N 2 2 382.505 -0.432 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652676967 1073643265 /nfs/dbraw/zinc/64/32/65/1073643265.db2.gz LYUGUNMVUOYMPI-INIZCTEOSA-N 2 2 388.516 -0.047 20 0 GBADLP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C[NH3+] ZINC000652680344 1073662022 /nfs/dbraw/zinc/66/20/22/1073662022.db2.gz AOLIQDURRIIJQV-CRAIPNDOSA-N 3 2 395.548 -0.517 20 0 GBADLP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000652726113 1072329055 /nfs/dbraw/zinc/32/90/55/1072329055.db2.gz GWJBWKBGNSXWLY-KRWDZBQOSA-N 2 2 382.505 -0.463 20 0 GBADLP CCO[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652729243 1072431250 /nfs/dbraw/zinc/43/12/50/1072431250.db2.gz YTWXPDOKBIGTQB-BRWVUGGUSA-N 2 2 382.505 -0.478 20 0 GBADLP CCO[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652729244 1072431116 /nfs/dbraw/zinc/43/11/16/1072431116.db2.gz YTWXPDOKBIGTQB-IXDOHACOSA-N 2 2 382.505 -0.478 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652734772 1072795832 /nfs/dbraw/zinc/79/58/32/1072795832.db2.gz VMVWQQTXUDPXMD-QAETUUGQSA-N 2 2 382.505 -0.744 20 0 GBADLP COCC[NH2+]C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000653180332 1072280003 /nfs/dbraw/zinc/28/00/03/1072280003.db2.gz OHHVRXDCHVIOJX-INIZCTEOSA-N 2 2 382.505 -0.606 20 0 GBADLP COCC[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000653180333 1072280482 /nfs/dbraw/zinc/28/04/82/1072280482.db2.gz OHHVRXDCHVIOJX-MRXNPFEDSA-N 2 2 382.505 -0.606 20 0 GBADLP COCCOCC[NH+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000653275344 1072745618 /nfs/dbraw/zinc/74/56/18/1072745618.db2.gz CNLKHBHODLSQFF-UHFFFAOYSA-N 2 2 380.493 -0.068 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1=O ZINC000653374610 1072919205 /nfs/dbraw/zinc/91/92/05/1072919205.db2.gz LNXHXDMXYDJAJX-UHFFFAOYSA-N 2 2 376.461 -0.768 20 0 GBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653396670 1072993251 /nfs/dbraw/zinc/99/32/51/1072993251.db2.gz DLAMBFMZZLQVPI-RBUKOAKNSA-N 2 2 387.528 -0.266 20 0 GBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653396670 1072993245 /nfs/dbraw/zinc/99/32/45/1072993245.db2.gz DLAMBFMZZLQVPI-RBUKOAKNSA-N 2 2 387.528 -0.266 20 0 GBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000653396670 1072993240 /nfs/dbraw/zinc/99/32/40/1072993240.db2.gz DLAMBFMZZLQVPI-RBUKOAKNSA-N 2 2 387.528 -0.266 20 0 GBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000653396670 1072993234 /nfs/dbraw/zinc/99/32/34/1072993234.db2.gz DLAMBFMZZLQVPI-RBUKOAKNSA-N 2 2 387.528 -0.266 20 0 GBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653396671 1072993202 /nfs/dbraw/zinc/99/32/02/1072993202.db2.gz DLAMBFMZZLQVPI-RTBURBONSA-N 2 2 387.528 -0.266 20 0 GBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653396671 1072993199 /nfs/dbraw/zinc/99/31/99/1072993199.db2.gz DLAMBFMZZLQVPI-RTBURBONSA-N 2 2 387.528 -0.266 20 0 GBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000653396671 1072993195 /nfs/dbraw/zinc/99/31/95/1072993195.db2.gz DLAMBFMZZLQVPI-RTBURBONSA-N 2 2 387.528 -0.266 20 0 GBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000653396671 1072993190 /nfs/dbraw/zinc/99/31/90/1072993190.db2.gz DLAMBFMZZLQVPI-RTBURBONSA-N 2 2 387.528 -0.266 20 0 GBADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1=O ZINC000653413964 1073033630 /nfs/dbraw/zinc/03/36/30/1073033630.db2.gz GXJAQTMWJUXWDP-OAHLLOKOSA-N 2 2 388.472 -0.991 20 0 GBADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000653433000 1073365869 /nfs/dbraw/zinc/36/58/69/1073365869.db2.gz XYUACEHMDSSCGO-UHFFFAOYSA-N 2 2 396.532 -0.072 20 0 GBADLP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000653487618 530327200 /nfs/dbraw/zinc/32/72/00/530327200.db2.gz DVOLQSMOIOHYME-OTVXOJSOSA-N 2 2 390.531 -0.105 20 0 GBADLP C[C@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)NC(N)=O ZINC000654749905 1072132078 /nfs/dbraw/zinc/13/20/78/1072132078.db2.gz WCNNECOWFISJOF-CQSZACIVSA-N 2 2 382.509 -0.870 20 0 GBADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654775953 1072134690 /nfs/dbraw/zinc/13/46/90/1072134690.db2.gz ZWVRCLRXGICYLO-CYBMUJFWSA-N 2 2 381.502 -0.064 20 0 GBADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654775953 1072134687 /nfs/dbraw/zinc/13/46/87/1072134687.db2.gz ZWVRCLRXGICYLO-CYBMUJFWSA-N 2 2 381.502 -0.064 20 0 GBADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654775954 1072134617 /nfs/dbraw/zinc/13/46/17/1072134617.db2.gz ZWVRCLRXGICYLO-ZDUSSCGKSA-N 2 2 381.502 -0.064 20 0 GBADLP Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654775954 1072134614 /nfs/dbraw/zinc/13/46/14/1072134614.db2.gz ZWVRCLRXGICYLO-ZDUSSCGKSA-N 2 2 381.502 -0.064 20 0 GBADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000654805330 1072137653 /nfs/dbraw/zinc/13/76/53/1072137653.db2.gz PHVGSJRGBVHUPQ-HNNXBMFYSA-N 2 2 378.477 -0.892 20 0 GBADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000654805331 1072137609 /nfs/dbraw/zinc/13/76/09/1072137609.db2.gz PHVGSJRGBVHUPQ-OAHLLOKOSA-N 2 2 378.477 -0.892 20 0 GBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885260 1072146249 /nfs/dbraw/zinc/14/62/49/1072146249.db2.gz IFRWLFAOCSZYJX-SOUVJXGZSA-N 2 2 380.493 -0.003 20 0 GBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885260 1072146248 /nfs/dbraw/zinc/14/62/48/1072146248.db2.gz IFRWLFAOCSZYJX-SOUVJXGZSA-N 2 2 380.493 -0.003 20 0 GBADLP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885497 1072145670 /nfs/dbraw/zinc/14/56/70/1072145670.db2.gz NRWVYDVICPYZSW-KFWWJZLASA-N 2 2 380.493 -0.003 20 0 GBADLP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885497 1072145667 /nfs/dbraw/zinc/14/56/67/1072145667.db2.gz NRWVYDVICPYZSW-KFWWJZLASA-N 2 2 380.493 -0.003 20 0 GBADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885498 1072145419 /nfs/dbraw/zinc/14/54/19/1072145419.db2.gz NRWVYDVICPYZSW-SOUVJXGZSA-N 2 2 380.493 -0.003 20 0 GBADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885498 1072145414 /nfs/dbraw/zinc/14/54/14/1072145414.db2.gz NRWVYDVICPYZSW-SOUVJXGZSA-N 2 2 380.493 -0.003 20 0 GBADLP Cn1c[nH+]cc1[C@H]1[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC000655096219 1072177418 /nfs/dbraw/zinc/17/74/18/1072177418.db2.gz MIEPKJYYTYMHGG-GRZALLJUSA-N 2 2 375.473 -0.005 20 0 GBADLP O=C(CCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000655296252 1072201679 /nfs/dbraw/zinc/20/16/79/1072201679.db2.gz JSPGLIVOQOSHDW-DLBZAZTESA-N 2 2 387.484 -0.212 20 0 GBADLP O=C(CCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000655296252 1072201676 /nfs/dbraw/zinc/20/16/76/1072201676.db2.gz JSPGLIVOQOSHDW-DLBZAZTESA-N 2 2 387.484 -0.212 20 0 GBADLP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039830 1072389918 /nfs/dbraw/zinc/38/99/18/1072389918.db2.gz IONUAFPHIGONMB-HRCADAONSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039830 1072389905 /nfs/dbraw/zinc/38/99/05/1072389905.db2.gz IONUAFPHIGONMB-HRCADAONSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039831 1072389961 /nfs/dbraw/zinc/38/99/61/1072389961.db2.gz IONUAFPHIGONMB-OAGGEKHMSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656039831 1072389956 /nfs/dbraw/zinc/38/99/56/1072389956.db2.gz IONUAFPHIGONMB-OAGGEKHMSA-N 2 2 384.521 -0.173 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041296 1072391380 /nfs/dbraw/zinc/39/13/80/1072391380.db2.gz PBJIEUUBWRWSGM-BIYBGRMPSA-N 2 2 392.504 -0.713 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041296 1072391370 /nfs/dbraw/zinc/39/13/70/1072391370.db2.gz PBJIEUUBWRWSGM-BIYBGRMPSA-N 2 2 392.504 -0.713 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041297 1072391503 /nfs/dbraw/zinc/39/15/03/1072391503.db2.gz PBJIEUUBWRWSGM-GFISCPRKSA-N 2 2 392.504 -0.713 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041297 1072391502 /nfs/dbraw/zinc/39/15/02/1072391502.db2.gz PBJIEUUBWRWSGM-GFISCPRKSA-N 2 2 392.504 -0.713 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041950 1072390486 /nfs/dbraw/zinc/39/04/86/1072390486.db2.gz SCLMFWLBUNUQQG-HRCADAONSA-N 2 2 384.521 -0.043 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041950 1072390477 /nfs/dbraw/zinc/39/04/77/1072390477.db2.gz SCLMFWLBUNUQQG-HRCADAONSA-N 2 2 384.521 -0.043 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041952 1072390405 /nfs/dbraw/zinc/39/04/05/1072390405.db2.gz SCLMFWLBUNUQQG-OAGGEKHMSA-N 2 2 384.521 -0.043 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656041952 1072390396 /nfs/dbraw/zinc/39/03/96/1072390396.db2.gz SCLMFWLBUNUQQG-OAGGEKHMSA-N 2 2 384.521 -0.043 20 0 GBADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656059818 1072395321 /nfs/dbraw/zinc/39/53/21/1072395321.db2.gz GZODNCQLZBKNHY-RBUKOAKNSA-N 2 2 386.496 -0.083 20 0 GBADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656059818 1072395310 /nfs/dbraw/zinc/39/53/10/1072395310.db2.gz GZODNCQLZBKNHY-RBUKOAKNSA-N 2 2 386.496 -0.083 20 0 GBADLP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000656060815 1072396654 /nfs/dbraw/zinc/39/66/54/1072396654.db2.gz NMNXVMHIFWALHF-RBUKOAKNSA-N 2 2 386.496 -0.349 20 0 GBADLP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000656060815 1072396649 /nfs/dbraw/zinc/39/66/49/1072396649.db2.gz NMNXVMHIFWALHF-RBUKOAKNSA-N 2 2 386.496 -0.349 20 0 GBADLP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000656064863 1072398521 /nfs/dbraw/zinc/39/85/21/1072398521.db2.gz YFOQYXOMZCMEMO-JKSUJKDBSA-N 2 2 392.525 -0.288 20 0 GBADLP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000656064863 1072398510 /nfs/dbraw/zinc/39/85/10/1072398510.db2.gz YFOQYXOMZCMEMO-JKSUJKDBSA-N 2 2 392.525 -0.288 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656066019 1072398654 /nfs/dbraw/zinc/39/86/54/1072398654.db2.gz WCJGDPLIAFDHAS-UHFFFAOYSA-N 2 2 394.524 -0.471 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656066019 1072398645 /nfs/dbraw/zinc/39/86/45/1072398645.db2.gz WCJGDPLIAFDHAS-UHFFFAOYSA-N 2 2 394.524 -0.471 20 0 GBADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656067552 1072400718 /nfs/dbraw/zinc/40/07/18/1072400718.db2.gz LJWDFDRCFCWVSZ-LSDHHAIUSA-N 2 2 376.457 -0.057 20 0 GBADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656067552 1072400715 /nfs/dbraw/zinc/40/07/15/1072400715.db2.gz LJWDFDRCFCWVSZ-LSDHHAIUSA-N 2 2 376.457 -0.057 20 0 GBADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000656067864 1072399951 /nfs/dbraw/zinc/39/99/51/1072399951.db2.gz XBGVYYMYPVDSJA-DFBDCSAJSA-N 2 2 394.516 -0.636 20 0 GBADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000656067864 1072399947 /nfs/dbraw/zinc/39/99/47/1072399947.db2.gz XBGVYYMYPVDSJA-DFBDCSAJSA-N 2 2 394.516 -0.636 20 0 GBADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656067866 1072399394 /nfs/dbraw/zinc/39/93/94/1072399394.db2.gz XBGVYYMYPVDSJA-FLXSYLCISA-N 2 2 394.516 -0.636 20 0 GBADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656067866 1072399389 /nfs/dbraw/zinc/39/93/89/1072399389.db2.gz XBGVYYMYPVDSJA-FLXSYLCISA-N 2 2 394.516 -0.636 20 0 GBADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656067866 1072399386 /nfs/dbraw/zinc/39/93/86/1072399386.db2.gz XBGVYYMYPVDSJA-FLXSYLCISA-N 2 2 394.516 -0.636 20 0 GBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656067866 1072399379 /nfs/dbraw/zinc/39/93/79/1072399379.db2.gz XBGVYYMYPVDSJA-FLXSYLCISA-N 2 2 394.516 -0.636 20 0 GBADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000656067867 1072399923 /nfs/dbraw/zinc/39/99/23/1072399923.db2.gz XBGVYYMYPVDSJA-HSFUPAIVSA-N 2 2 394.516 -0.636 20 0 GBADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000656067867 1072399919 /nfs/dbraw/zinc/39/99/19/1072399919.db2.gz XBGVYYMYPVDSJA-HSFUPAIVSA-N 2 2 394.516 -0.636 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069951 1072400536 /nfs/dbraw/zinc/40/05/36/1072400536.db2.gz UTRIWKFTQFUIHV-YESZJQIVSA-N 3 2 385.553 -0.448 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069951 1072400531 /nfs/dbraw/zinc/40/05/31/1072400531.db2.gz UTRIWKFTQFUIHV-YESZJQIVSA-N 3 2 385.553 -0.448 20 0 GBADLP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069952 1072400822 /nfs/dbraw/zinc/40/08/22/1072400822.db2.gz UTRIWKFTQFUIHV-ZACQAIPSSA-N 3 2 385.553 -0.448 20 0 GBADLP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656069952 1072400819 /nfs/dbraw/zinc/40/08/19/1072400819.db2.gz UTRIWKFTQFUIHV-ZACQAIPSSA-N 3 2 385.553 -0.448 20 0 GBADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656071145 1072401429 /nfs/dbraw/zinc/40/14/29/1072401429.db2.gz OITSJDZVPLVQDS-NZSAHSFTSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656071145 1072401424 /nfs/dbraw/zinc/40/14/24/1072401424.db2.gz OITSJDZVPLVQDS-NZSAHSFTSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656071145 1072401418 /nfs/dbraw/zinc/40/14/18/1072401418.db2.gz OITSJDZVPLVQDS-NZSAHSFTSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656071145 1072401410 /nfs/dbraw/zinc/40/14/10/1072401410.db2.gz OITSJDZVPLVQDS-NZSAHSFTSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656071146 1072401634 /nfs/dbraw/zinc/40/16/34/1072401634.db2.gz OITSJDZVPLVQDS-YTQUADARSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656071146 1072401630 /nfs/dbraw/zinc/40/16/30/1072401630.db2.gz OITSJDZVPLVQDS-YTQUADARSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656071146 1072401628 /nfs/dbraw/zinc/40/16/28/1072401628.db2.gz OITSJDZVPLVQDS-YTQUADARSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656071146 1072401622 /nfs/dbraw/zinc/40/16/22/1072401622.db2.gz OITSJDZVPLVQDS-YTQUADARSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072172 1072403547 /nfs/dbraw/zinc/40/35/47/1072403547.db2.gz HLYPSAJEBWXPNB-YESZJQIVSA-N 2 2 398.548 -0.095 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072172 1072403538 /nfs/dbraw/zinc/40/35/38/1072403538.db2.gz HLYPSAJEBWXPNB-YESZJQIVSA-N 2 2 398.548 -0.095 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072172 1072403530 /nfs/dbraw/zinc/40/35/30/1072403530.db2.gz HLYPSAJEBWXPNB-YESZJQIVSA-N 2 2 398.548 -0.095 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072172 1072403520 /nfs/dbraw/zinc/40/35/20/1072403520.db2.gz HLYPSAJEBWXPNB-YESZJQIVSA-N 2 2 398.548 -0.095 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072173 1072403155 /nfs/dbraw/zinc/40/31/55/1072403155.db2.gz HLYPSAJEBWXPNB-ZACQAIPSSA-N 2 2 398.548 -0.095 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072173 1072403149 /nfs/dbraw/zinc/40/31/49/1072403149.db2.gz HLYPSAJEBWXPNB-ZACQAIPSSA-N 2 2 398.548 -0.095 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072173 1072403144 /nfs/dbraw/zinc/40/31/44/1072403144.db2.gz HLYPSAJEBWXPNB-ZACQAIPSSA-N 2 2 398.548 -0.095 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656072173 1072403139 /nfs/dbraw/zinc/40/31/39/1072403139.db2.gz HLYPSAJEBWXPNB-ZACQAIPSSA-N 2 2 398.548 -0.095 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075623 1072403727 /nfs/dbraw/zinc/40/37/27/1072403727.db2.gz PTQBIKKMIXKIDI-YESZJQIVSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075623 1072403722 /nfs/dbraw/zinc/40/37/22/1072403722.db2.gz PTQBIKKMIXKIDI-YESZJQIVSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075624 1072403742 /nfs/dbraw/zinc/40/37/42/1072403742.db2.gz PTQBIKKMIXKIDI-ZACQAIPSSA-N 2 2 396.532 -0.077 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656075624 1072403738 /nfs/dbraw/zinc/40/37/38/1072403738.db2.gz PTQBIKKMIXKIDI-ZACQAIPSSA-N 2 2 396.532 -0.077 20 0 GBADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000656075740 1072404222 /nfs/dbraw/zinc/40/42/22/1072404222.db2.gz UIHKVFFNQQUESI-INIZCTEOSA-N 2 2 384.521 -0.529 20 0 GBADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000656075741 1072404259 /nfs/dbraw/zinc/40/42/59/1072404259.db2.gz UIHKVFFNQQUESI-MRXNPFEDSA-N 2 2 384.521 -0.529 20 0 GBADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000656078960 1072407309 /nfs/dbraw/zinc/40/73/09/1072407309.db2.gz QCIZCPJPFZKENF-UHFFFAOYSA-N 2 2 395.548 -0.058 20 0 GBADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081212 1072407185 /nfs/dbraw/zinc/40/71/85/1072407185.db2.gz BGAAVPXWVFARCH-JKSUJKDBSA-N 2 2 377.489 -0.039 20 0 GBADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081212 1072407180 /nfs/dbraw/zinc/40/71/80/1072407180.db2.gz BGAAVPXWVFARCH-JKSUJKDBSA-N 2 2 377.489 -0.039 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081835 1072408661 /nfs/dbraw/zinc/40/86/61/1072408661.db2.gz ACFVMVQBAABAIF-LUKYLMHMSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081835 1072408655 /nfs/dbraw/zinc/40/86/55/1072408655.db2.gz ACFVMVQBAABAIF-LUKYLMHMSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081835 1072408649 /nfs/dbraw/zinc/40/86/49/1072408649.db2.gz ACFVMVQBAABAIF-LUKYLMHMSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081835 1072408648 /nfs/dbraw/zinc/40/86/48/1072408648.db2.gz ACFVMVQBAABAIF-LUKYLMHMSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081840 1072408812 /nfs/dbraw/zinc/40/88/12/1072408812.db2.gz ACFVMVQBAABAIF-VQHPVUNQSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081840 1072408804 /nfs/dbraw/zinc/40/88/04/1072408804.db2.gz ACFVMVQBAABAIF-VQHPVUNQSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081840 1072408797 /nfs/dbraw/zinc/40/87/97/1072408797.db2.gz ACFVMVQBAABAIF-VQHPVUNQSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081840 1072408789 /nfs/dbraw/zinc/40/87/89/1072408789.db2.gz ACFVMVQBAABAIF-VQHPVUNQSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081843 1072408726 /nfs/dbraw/zinc/40/87/26/1072408726.db2.gz ACFVMVQBAABAIF-VVLHAWIVSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081843 1072408719 /nfs/dbraw/zinc/40/87/19/1072408719.db2.gz ACFVMVQBAABAIF-VVLHAWIVSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081843 1072408716 /nfs/dbraw/zinc/40/87/16/1072408716.db2.gz ACFVMVQBAABAIF-VVLHAWIVSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081843 1072408709 /nfs/dbraw/zinc/40/87/09/1072408709.db2.gz ACFVMVQBAABAIF-VVLHAWIVSA-N 2 2 398.548 -0.096 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000656082932 1072407282 /nfs/dbraw/zinc/40/72/82/1072407282.db2.gz AFNICNBDZYLWAF-NZSAHSFTSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000656082932 1072407272 /nfs/dbraw/zinc/40/72/72/1072407272.db2.gz AFNICNBDZYLWAF-NZSAHSFTSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000656082932 1072407268 /nfs/dbraw/zinc/40/72/68/1072407268.db2.gz AFNICNBDZYLWAF-NZSAHSFTSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000656082932 1072407265 /nfs/dbraw/zinc/40/72/65/1072407265.db2.gz AFNICNBDZYLWAF-NZSAHSFTSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000656082933 1072407434 /nfs/dbraw/zinc/40/74/34/1072407434.db2.gz AFNICNBDZYLWAF-YTQUADARSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000656082933 1072407429 /nfs/dbraw/zinc/40/74/29/1072407429.db2.gz AFNICNBDZYLWAF-YTQUADARSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000656082933 1072407426 /nfs/dbraw/zinc/40/74/26/1072407426.db2.gz AFNICNBDZYLWAF-YTQUADARSA-N 2 2 386.496 -0.003 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000656082933 1072407424 /nfs/dbraw/zinc/40/74/24/1072407424.db2.gz AFNICNBDZYLWAF-YTQUADARSA-N 2 2 386.496 -0.003 20 0 GBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000656088438 1072411238 /nfs/dbraw/zinc/41/12/38/1072411238.db2.gz KLUJDYYRFHTPHR-GBESFXJTSA-N 2 2 386.496 -0.351 20 0 GBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000656088438 1072411231 /nfs/dbraw/zinc/41/12/31/1072411231.db2.gz KLUJDYYRFHTPHR-GBESFXJTSA-N 2 2 386.496 -0.351 20 0 GBADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000656088438 1072411227 /nfs/dbraw/zinc/41/12/27/1072411227.db2.gz KLUJDYYRFHTPHR-GBESFXJTSA-N 2 2 386.496 -0.351 20 0 GBADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000656088438 1072411222 /nfs/dbraw/zinc/41/12/22/1072411222.db2.gz KLUJDYYRFHTPHR-GBESFXJTSA-N 2 2 386.496 -0.351 20 0 GBADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103614 1072412651 /nfs/dbraw/zinc/41/26/51/1072412651.db2.gz ALPXCYKVXZAIMF-UXLLHSPISA-N 2 2 388.468 -0.555 20 0 GBADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103614 1072412646 /nfs/dbraw/zinc/41/26/46/1072412646.db2.gz ALPXCYKVXZAIMF-UXLLHSPISA-N 2 2 388.468 -0.555 20 0 GBADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103615 1072413186 /nfs/dbraw/zinc/41/31/86/1072413186.db2.gz ALPXCYKVXZAIMF-ZMSDIMECSA-N 2 2 388.468 -0.555 20 0 GBADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103615 1072413174 /nfs/dbraw/zinc/41/31/74/1072413174.db2.gz ALPXCYKVXZAIMF-ZMSDIMECSA-N 2 2 388.468 -0.555 20 0 GBADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000656103911 1072412856 /nfs/dbraw/zinc/41/28/56/1072412856.db2.gz CSHHUYWFTNPAOU-INIZCTEOSA-N 2 2 393.532 -0.258 20 0 GBADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000656103913 1072413222 /nfs/dbraw/zinc/41/32/22/1072413222.db2.gz CSHHUYWFTNPAOU-MRXNPFEDSA-N 2 2 393.532 -0.258 20 0 GBADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656283924 1072484127 /nfs/dbraw/zinc/48/41/27/1072484127.db2.gz IZBDXUWXQKIGRV-DLBZAZTESA-N 2 2 394.516 -0.585 20 0 GBADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656283924 1072484122 /nfs/dbraw/zinc/48/41/22/1072484122.db2.gz IZBDXUWXQKIGRV-DLBZAZTESA-N 2 2 394.516 -0.585 20 0 GBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656289825 1072491450 /nfs/dbraw/zinc/49/14/50/1072491450.db2.gz PXDYBNIAHXOLCC-XUWVNRHRSA-N 2 2 382.505 -0.732 20 0 GBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656289825 1072491447 /nfs/dbraw/zinc/49/14/47/1072491447.db2.gz PXDYBNIAHXOLCC-XUWVNRHRSA-N 2 2 382.505 -0.732 20 0 GBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656289825 1072491442 /nfs/dbraw/zinc/49/14/42/1072491442.db2.gz PXDYBNIAHXOLCC-XUWVNRHRSA-N 2 2 382.505 -0.732 20 0 GBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656289825 1072491439 /nfs/dbraw/zinc/49/14/39/1072491439.db2.gz PXDYBNIAHXOLCC-XUWVNRHRSA-N 2 2 382.505 -0.732 20 0 GBADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656289826 1072491056 /nfs/dbraw/zinc/49/10/56/1072491056.db2.gz PXDYBNIAHXOLCC-YHUYYLMFSA-N 2 2 382.505 -0.732 20 0 GBADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656289826 1072491053 /nfs/dbraw/zinc/49/10/53/1072491053.db2.gz PXDYBNIAHXOLCC-YHUYYLMFSA-N 2 2 382.505 -0.732 20 0 GBADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000656290064 1072490320 /nfs/dbraw/zinc/49/03/20/1072490320.db2.gz YRESTWZDSLXAPB-KSZLIROESA-N 2 2 396.532 -0.483 20 0 GBADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000656290064 1072490318 /nfs/dbraw/zinc/49/03/18/1072490318.db2.gz YRESTWZDSLXAPB-KSZLIROESA-N 2 2 396.532 -0.483 20 0 GBADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000656290065 1072490281 /nfs/dbraw/zinc/49/02/81/1072490281.db2.gz YRESTWZDSLXAPB-RCCFBDPRSA-N 2 2 396.532 -0.483 20 0 GBADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000656290065 1072490278 /nfs/dbraw/zinc/49/02/78/1072490278.db2.gz YRESTWZDSLXAPB-RCCFBDPRSA-N 2 2 396.532 -0.483 20 0 GBADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000656291732 1072491949 /nfs/dbraw/zinc/49/19/49/1072491949.db2.gz MCIGIZJBZSYIPX-UHFFFAOYSA-N 2 2 381.521 -0.401 20 0 GBADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000656296585 1072494977 /nfs/dbraw/zinc/49/49/77/1072494977.db2.gz LXZMNKAFFHMZKO-UHFFFAOYSA-N 2 2 381.521 -0.354 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656296807 1072495501 /nfs/dbraw/zinc/49/55/01/1072495501.db2.gz OQNOJBNWEAFEJM-YESZJQIVSA-N 2 2 384.521 -0.171 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656296807 1072495495 /nfs/dbraw/zinc/49/54/95/1072495495.db2.gz OQNOJBNWEAFEJM-YESZJQIVSA-N 2 2 384.521 -0.171 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656296808 1072495536 /nfs/dbraw/zinc/49/55/36/1072495536.db2.gz OQNOJBNWEAFEJM-ZACQAIPSSA-N 2 2 384.521 -0.171 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656296808 1072495531 /nfs/dbraw/zinc/49/55/31/1072495531.db2.gz OQNOJBNWEAFEJM-ZACQAIPSSA-N 2 2 384.521 -0.171 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297072 1072496095 /nfs/dbraw/zinc/49/60/95/1072496095.db2.gz SEKLLRUGLLEKNV-KURKYZTESA-N 2 2 397.564 -0.256 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297072 1072496089 /nfs/dbraw/zinc/49/60/89/1072496089.db2.gz SEKLLRUGLLEKNV-KURKYZTESA-N 2 2 397.564 -0.256 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297073 1072496139 /nfs/dbraw/zinc/49/61/39/1072496139.db2.gz SEKLLRUGLLEKNV-OKZBNKHCSA-N 2 2 397.564 -0.256 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656297073 1072496132 /nfs/dbraw/zinc/49/61/32/1072496132.db2.gz SEKLLRUGLLEKNV-OKZBNKHCSA-N 2 2 397.564 -0.256 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299992 1072498662 /nfs/dbraw/zinc/49/86/62/1072498662.db2.gz GORQWIOBYKKUOD-TVFCKZIOSA-N 2 2 397.564 -0.400 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299992 1072498658 /nfs/dbraw/zinc/49/86/58/1072498658.db2.gz GORQWIOBYKKUOD-TVFCKZIOSA-N 2 2 397.564 -0.400 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299993 1072498110 /nfs/dbraw/zinc/49/81/10/1072498110.db2.gz GORQWIOBYKKUOD-XDNAFOTISA-N 2 2 397.564 -0.400 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299993 1072498107 /nfs/dbraw/zinc/49/81/07/1072498107.db2.gz GORQWIOBYKKUOD-XDNAFOTISA-N 2 2 397.564 -0.400 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299994 1072498695 /nfs/dbraw/zinc/49/86/95/1072498695.db2.gz GORQWIOBYKKUOD-XLAORIBOSA-N 2 2 397.564 -0.400 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299994 1072498690 /nfs/dbraw/zinc/49/86/90/1072498690.db2.gz GORQWIOBYKKUOD-XLAORIBOSA-N 2 2 397.564 -0.400 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656299995 1072498582 /nfs/dbraw/zinc/49/85/82/1072498582.db2.gz GORQWIOBYKKUOD-XWTMOSNGSA-N 2 2 397.564 -0.400 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656299995 1072498574 /nfs/dbraw/zinc/49/85/74/1072498574.db2.gz GORQWIOBYKKUOD-XWTMOSNGSA-N 2 2 397.564 -0.400 20 0 GBADLP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656301991 1072499299 /nfs/dbraw/zinc/49/92/99/1072499299.db2.gz PYAOVWJRZAOVDB-HRCADAONSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656301991 1072499292 /nfs/dbraw/zinc/49/92/92/1072499292.db2.gz PYAOVWJRZAOVDB-HRCADAONSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656301994 1072498451 /nfs/dbraw/zinc/49/84/51/1072498451.db2.gz PYAOVWJRZAOVDB-OAGGEKHMSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656301994 1072498445 /nfs/dbraw/zinc/49/84/45/1072498445.db2.gz PYAOVWJRZAOVDB-OAGGEKHMSA-N 2 2 384.521 -0.173 20 0 GBADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656302405 1072499539 /nfs/dbraw/zinc/49/95/39/1072499539.db2.gz STGVZVLKENNRST-LSDHHAIUSA-N 2 2 378.498 -0.500 20 0 GBADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656302405 1072499536 /nfs/dbraw/zinc/49/95/36/1072499536.db2.gz STGVZVLKENNRST-LSDHHAIUSA-N 2 2 378.498 -0.500 20 0 GBADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302405 1072499531 /nfs/dbraw/zinc/49/95/31/1072499531.db2.gz STGVZVLKENNRST-LSDHHAIUSA-N 2 2 378.498 -0.500 20 0 GBADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302405 1072499526 /nfs/dbraw/zinc/49/95/26/1072499526.db2.gz STGVZVLKENNRST-LSDHHAIUSA-N 2 2 378.498 -0.500 20 0 GBADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656304241 1072500006 /nfs/dbraw/zinc/50/00/06/1072500006.db2.gz UWGPPAGZTRYXRE-LSDHHAIUSA-N 2 2 387.415 -0.095 20 0 GBADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656304241 1072500000 /nfs/dbraw/zinc/50/00/00/1072500000.db2.gz UWGPPAGZTRYXRE-LSDHHAIUSA-N 2 2 387.415 -0.095 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000656307599 1072502449 /nfs/dbraw/zinc/50/24/49/1072502449.db2.gz SELPHQCKGDSZEK-LUKYLMHMSA-N 2 2 384.521 -0.315 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000656307599 1072502442 /nfs/dbraw/zinc/50/24/42/1072502442.db2.gz SELPHQCKGDSZEK-LUKYLMHMSA-N 2 2 384.521 -0.315 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000656307600 1072502610 /nfs/dbraw/zinc/50/26/10/1072502610.db2.gz SELPHQCKGDSZEK-TWMKSMIVSA-N 2 2 384.521 -0.315 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000656307600 1072502605 /nfs/dbraw/zinc/50/26/05/1072502605.db2.gz SELPHQCKGDSZEK-TWMKSMIVSA-N 2 2 384.521 -0.315 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000656307601 1072501934 /nfs/dbraw/zinc/50/19/34/1072501934.db2.gz SELPHQCKGDSZEK-VQHPVUNQSA-N 2 2 384.521 -0.315 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000656307601 1072501921 /nfs/dbraw/zinc/50/19/21/1072501921.db2.gz SELPHQCKGDSZEK-VQHPVUNQSA-N 2 2 384.521 -0.315 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656307602 1072501725 /nfs/dbraw/zinc/50/17/25/1072501725.db2.gz SELPHQCKGDSZEK-VVLHAWIVSA-N 2 2 384.521 -0.315 20 0 GBADLP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656307602 1072501712 /nfs/dbraw/zinc/50/17/12/1072501712.db2.gz SELPHQCKGDSZEK-VVLHAWIVSA-N 2 2 384.521 -0.315 20 0 GBADLP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309404 1072503683 /nfs/dbraw/zinc/50/36/83/1072503683.db2.gz QARFZFNHOHFEGJ-MWDXBVQZSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309404 1072503680 /nfs/dbraw/zinc/50/36/80/1072503680.db2.gz QARFZFNHOHFEGJ-MWDXBVQZSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309404 1072503674 /nfs/dbraw/zinc/50/36/74/1072503674.db2.gz QARFZFNHOHFEGJ-MWDXBVQZSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309404 1072503667 /nfs/dbraw/zinc/50/36/67/1072503667.db2.gz QARFZFNHOHFEGJ-MWDXBVQZSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309406 1072503812 /nfs/dbraw/zinc/50/38/12/1072503812.db2.gz QARFZFNHOHFEGJ-NCOADZHNSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309406 1072503802 /nfs/dbraw/zinc/50/38/02/1072503802.db2.gz QARFZFNHOHFEGJ-NCOADZHNSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309406 1072503794 /nfs/dbraw/zinc/50/37/94/1072503794.db2.gz QARFZFNHOHFEGJ-NCOADZHNSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309406 1072503791 /nfs/dbraw/zinc/50/37/91/1072503791.db2.gz QARFZFNHOHFEGJ-NCOADZHNSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309408 1072504186 /nfs/dbraw/zinc/50/41/86/1072504186.db2.gz QARFZFNHOHFEGJ-NXOAAHMSSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309408 1072504179 /nfs/dbraw/zinc/50/41/79/1072504179.db2.gz QARFZFNHOHFEGJ-NXOAAHMSSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309408 1072504170 /nfs/dbraw/zinc/50/41/70/1072504170.db2.gz QARFZFNHOHFEGJ-NXOAAHMSSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309408 1072504164 /nfs/dbraw/zinc/50/41/64/1072504164.db2.gz QARFZFNHOHFEGJ-NXOAAHMSSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309409 1072503403 /nfs/dbraw/zinc/50/34/03/1072503403.db2.gz QARFZFNHOHFEGJ-WCXIOVBPSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309409 1072503391 /nfs/dbraw/zinc/50/33/91/1072503391.db2.gz QARFZFNHOHFEGJ-WCXIOVBPSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309409 1072503379 /nfs/dbraw/zinc/50/33/79/1072503379.db2.gz QARFZFNHOHFEGJ-WCXIOVBPSA-N 2 2 384.521 -0.173 20 0 GBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656309409 1072503367 /nfs/dbraw/zinc/50/33/67/1072503367.db2.gz QARFZFNHOHFEGJ-WCXIOVBPSA-N 2 2 384.521 -0.173 20 0 GBADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000656311971 1072504646 /nfs/dbraw/zinc/50/46/46/1072504646.db2.gz JXGSXERIONSSFG-UHFFFAOYSA-N 2 2 395.548 -0.012 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000656317410 1072509587 /nfs/dbraw/zinc/50/95/87/1072509587.db2.gz XDVKIHZQZSKTAG-CYBMUJFWSA-N 2 2 392.508 -0.671 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000656317410 1072509573 /nfs/dbraw/zinc/50/95/73/1072509573.db2.gz XDVKIHZQZSKTAG-CYBMUJFWSA-N 2 2 392.508 -0.671 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000656317416 1072510275 /nfs/dbraw/zinc/51/02/75/1072510275.db2.gz XDVKIHZQZSKTAG-ZDUSSCGKSA-N 2 2 392.508 -0.671 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000656317416 1072510272 /nfs/dbraw/zinc/51/02/72/1072510272.db2.gz XDVKIHZQZSKTAG-ZDUSSCGKSA-N 2 2 392.508 -0.671 20 0 GBADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317701 1072510240 /nfs/dbraw/zinc/51/02/40/1072510240.db2.gz ZQYCDPYJBYAIPQ-HZMVEIRTSA-N 2 2 380.489 -0.977 20 0 GBADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317701 1072510234 /nfs/dbraw/zinc/51/02/34/1072510234.db2.gz ZQYCDPYJBYAIPQ-HZMVEIRTSA-N 2 2 380.489 -0.977 20 0 GBADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317706 1072509845 /nfs/dbraw/zinc/50/98/45/1072509845.db2.gz ZQYCDPYJBYAIPQ-VVLHAWIVSA-N 2 2 380.489 -0.977 20 0 GBADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317706 1072509836 /nfs/dbraw/zinc/50/98/36/1072509836.db2.gz ZQYCDPYJBYAIPQ-VVLHAWIVSA-N 2 2 380.489 -0.977 20 0 GBADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317709 1072510328 /nfs/dbraw/zinc/51/03/28/1072510328.db2.gz ZQYCDPYJBYAIPQ-YLFCFFPRSA-N 2 2 380.489 -0.977 20 0 GBADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317709 1072510325 /nfs/dbraw/zinc/51/03/25/1072510325.db2.gz ZQYCDPYJBYAIPQ-YLFCFFPRSA-N 2 2 380.489 -0.977 20 0 GBADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317711 1072510002 /nfs/dbraw/zinc/51/00/02/1072510002.db2.gz ZQYCDPYJBYAIPQ-YVSFHVDLSA-N 2 2 380.489 -0.977 20 0 GBADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317711 1072509994 /nfs/dbraw/zinc/50/99/94/1072509994.db2.gz ZQYCDPYJBYAIPQ-YVSFHVDLSA-N 2 2 380.489 -0.977 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656319112 1072511363 /nfs/dbraw/zinc/51/13/63/1072511363.db2.gz YPHVWSFGHLWTHZ-YESZJQIVSA-N 2 2 397.564 -0.258 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656319112 1072511359 /nfs/dbraw/zinc/51/13/59/1072511359.db2.gz YPHVWSFGHLWTHZ-YESZJQIVSA-N 2 2 397.564 -0.258 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656319112 1072511352 /nfs/dbraw/zinc/51/13/52/1072511352.db2.gz YPHVWSFGHLWTHZ-YESZJQIVSA-N 2 2 397.564 -0.258 20 0 GBADLP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656319112 1072511346 /nfs/dbraw/zinc/51/13/46/1072511346.db2.gz YPHVWSFGHLWTHZ-YESZJQIVSA-N 2 2 397.564 -0.258 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656319114 1072510873 /nfs/dbraw/zinc/51/08/73/1072510873.db2.gz YPHVWSFGHLWTHZ-ZACQAIPSSA-N 2 2 397.564 -0.258 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656319114 1072510867 /nfs/dbraw/zinc/51/08/67/1072510867.db2.gz YPHVWSFGHLWTHZ-ZACQAIPSSA-N 2 2 397.564 -0.258 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656319114 1072510861 /nfs/dbraw/zinc/51/08/61/1072510861.db2.gz YPHVWSFGHLWTHZ-ZACQAIPSSA-N 2 2 397.564 -0.258 20 0 GBADLP C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656319114 1072510855 /nfs/dbraw/zinc/51/08/55/1072510855.db2.gz YPHVWSFGHLWTHZ-ZACQAIPSSA-N 2 2 397.564 -0.258 20 0 GBADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000656322052 1072511887 /nfs/dbraw/zinc/51/18/87/1072511887.db2.gz JAEMVORSJDCBMF-DLBZAZTESA-N 2 2 387.484 -0.116 20 0 GBADLP Cc1ccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(N2CCCC2)[nH+]1 ZINC000656322052 1072511877 /nfs/dbraw/zinc/51/18/77/1072511877.db2.gz JAEMVORSJDCBMF-DLBZAZTESA-N 2 2 387.484 -0.116 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656355515 1072525709 /nfs/dbraw/zinc/52/57/09/1072525709.db2.gz KZBPIDNICVMMOX-DLBZAZTESA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656355515 1072525703 /nfs/dbraw/zinc/52/57/03/1072525703.db2.gz KZBPIDNICVMMOX-DLBZAZTESA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656355516 1072525803 /nfs/dbraw/zinc/52/58/03/1072525803.db2.gz KZBPIDNICVMMOX-IAGOWNOFSA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656355516 1072525794 /nfs/dbraw/zinc/52/57/94/1072525794.db2.gz KZBPIDNICVMMOX-IAGOWNOFSA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656355517 1072525848 /nfs/dbraw/zinc/52/58/48/1072525848.db2.gz KZBPIDNICVMMOX-IRXDYDNUSA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656355517 1072525841 /nfs/dbraw/zinc/52/58/41/1072525841.db2.gz KZBPIDNICVMMOX-IRXDYDNUSA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656355518 1072525919 /nfs/dbraw/zinc/52/59/19/1072525919.db2.gz KZBPIDNICVMMOX-SJORKVTESA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656355518 1072525906 /nfs/dbraw/zinc/52/59/06/1072525906.db2.gz KZBPIDNICVMMOX-SJORKVTESA-N 2 2 393.532 -0.258 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656355703 1072525998 /nfs/dbraw/zinc/52/59/98/1072525998.db2.gz NEXKUQRGXVZMJG-BBWFWOEESA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656355703 1072525987 /nfs/dbraw/zinc/52/59/87/1072525987.db2.gz NEXKUQRGXVZMJG-BBWFWOEESA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656355704 1072526267 /nfs/dbraw/zinc/52/62/67/1072526267.db2.gz NEXKUQRGXVZMJG-GVDBMIGSSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656355704 1072526261 /nfs/dbraw/zinc/52/62/61/1072526261.db2.gz NEXKUQRGXVZMJG-GVDBMIGSSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656355705 1072525650 /nfs/dbraw/zinc/52/56/50/1072525650.db2.gz NEXKUQRGXVZMJG-ULQDDVLXSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656355705 1072525636 /nfs/dbraw/zinc/52/56/36/1072525636.db2.gz NEXKUQRGXVZMJG-ULQDDVLXSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656355706 1072526594 /nfs/dbraw/zinc/52/65/94/1072526594.db2.gz NEXKUQRGXVZMJG-YESZJQIVSA-N 2 2 382.505 -0.729 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656355706 1072526583 /nfs/dbraw/zinc/52/65/83/1072526583.db2.gz NEXKUQRGXVZMJG-YESZJQIVSA-N 2 2 382.505 -0.729 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656357919 1072527295 /nfs/dbraw/zinc/52/72/95/1072527295.db2.gz MTHZCPJMDTZTLH-ROUUACIJSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656357919 1072527291 /nfs/dbraw/zinc/52/72/91/1072527291.db2.gz MTHZCPJMDTZTLH-ROUUACIJSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656357921 1072527273 /nfs/dbraw/zinc/52/72/73/1072527273.db2.gz MTHZCPJMDTZTLH-ZWKOTPCHSA-N 2 2 396.532 -0.075 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656357921 1072527270 /nfs/dbraw/zinc/52/72/70/1072527270.db2.gz MTHZCPJMDTZTLH-ZWKOTPCHSA-N 2 2 396.532 -0.075 20 0 GBADLP CC(C)(O)C[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000656366455 1072533725 /nfs/dbraw/zinc/53/37/25/1072533725.db2.gz AKBCECBWDYHUJI-UHFFFAOYSA-N 2 2 384.521 -0.034 20 0 GBADLP CC1(C)CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1CCO ZINC000656366747 1072533942 /nfs/dbraw/zinc/53/39/42/1072533942.db2.gz PZJZHPKDOXOKCD-UHFFFAOYSA-N 2 2 384.521 -0.034 20 0 GBADLP CC1(C)CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1CCO ZINC000656366747 1072533933 /nfs/dbraw/zinc/53/39/33/1072533933.db2.gz PZJZHPKDOXOKCD-UHFFFAOYSA-N 2 2 384.521 -0.034 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Nc1c[nH+]c[nH]1 ZINC000656375799 530118231 /nfs/dbraw/zinc/11/82/31/530118231.db2.gz XNBYRLWSYWKBPN-CYBMUJFWSA-N 2 2 389.503 -0.183 20 0 GBADLP O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Nc1c[nH+]c[nH]1 ZINC000656375800 530118126 /nfs/dbraw/zinc/11/81/26/530118126.db2.gz XNBYRLWSYWKBPN-ZDUSSCGKSA-N 2 2 389.503 -0.183 20 0 GBADLP C[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000656386130 530119268 /nfs/dbraw/zinc/11/92/68/530119268.db2.gz MLOBWWRWKHGXHL-UHFFFAOYSA-N 2 2 379.508 -0.101 20 0 GBADLP C[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000656386130 530119267 /nfs/dbraw/zinc/11/92/67/530119267.db2.gz MLOBWWRWKHGXHL-UHFFFAOYSA-N 2 2 379.508 -0.101 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000657071356 530124591 /nfs/dbraw/zinc/12/45/91/530124591.db2.gz LFIDOJJIMJNHGU-ZDUSSCGKSA-N 2 2 392.547 -0.116 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000657071356 530124589 /nfs/dbraw/zinc/12/45/89/530124589.db2.gz LFIDOJJIMJNHGU-ZDUSSCGKSA-N 2 2 392.547 -0.116 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000657071521 530124611 /nfs/dbraw/zinc/12/46/11/530124611.db2.gz OPPQKAUSSQPIRM-ZDUSSCGKSA-N 2 2 392.547 -0.116 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000657071521 530124609 /nfs/dbraw/zinc/12/46/09/530124609.db2.gz OPPQKAUSSQPIRM-ZDUSSCGKSA-N 2 2 392.547 -0.116 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657090231 530124485 /nfs/dbraw/zinc/12/44/85/530124485.db2.gz AMJAYISEARYFDU-UHFFFAOYSA-N 2 2 398.595 -0.539 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657090231 530124481 /nfs/dbraw/zinc/12/44/81/530124481.db2.gz AMJAYISEARYFDU-UHFFFAOYSA-N 2 2 398.595 -0.539 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000657091235 530124427 /nfs/dbraw/zinc/12/44/27/530124427.db2.gz KOYIIVWWFUGIQQ-UHFFFAOYSA-N 2 2 378.520 -0.504 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000657091235 530124423 /nfs/dbraw/zinc/12/44/23/530124423.db2.gz KOYIIVWWFUGIQQ-UHFFFAOYSA-N 2 2 378.520 -0.504 20 0 GBADLP CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091264 530124325 /nfs/dbraw/zinc/12/43/25/530124325.db2.gz LGIJYKODRVAZEX-UHFFFAOYSA-N 2 2 392.547 -0.244 20 0 GBADLP CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091264 530124322 /nfs/dbraw/zinc/12/43/22/530124322.db2.gz LGIJYKODRVAZEX-UHFFFAOYSA-N 2 2 392.547 -0.244 20 0 GBADLP CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657092164 530124948 /nfs/dbraw/zinc/12/49/48/530124948.db2.gz FLROPALYUZLMPV-UHFFFAOYSA-N 2 2 392.547 -0.244 20 0 GBADLP CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657092164 530124945 /nfs/dbraw/zinc/12/49/45/530124945.db2.gz FLROPALYUZLMPV-UHFFFAOYSA-N 2 2 392.547 -0.244 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000657092706 530125191 /nfs/dbraw/zinc/12/51/91/530125191.db2.gz LSFXVJZAWACFMN-UHFFFAOYSA-N 2 2 378.520 -0.504 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000657092706 530125190 /nfs/dbraw/zinc/12/51/90/530125190.db2.gz LSFXVJZAWACFMN-UHFFFAOYSA-N 2 2 378.520 -0.504 20 0 GBADLP CNS(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657093285 530124848 /nfs/dbraw/zinc/12/48/48/530124848.db2.gz VIJYEECVVZVKTM-UHFFFAOYSA-N 2 2 392.547 -0.244 20 0 GBADLP CNS(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657093285 530124845 /nfs/dbraw/zinc/12/48/45/530124845.db2.gz VIJYEECVVZVKTM-UHFFFAOYSA-N 2 2 392.547 -0.244 20 0 GBADLP CN(CC1C[NH+](C)C1)S(=O)(=O)CCCS(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000657123287 530126001 /nfs/dbraw/zinc/12/60/01/530126001.db2.gz WTYMXCQOMVONJG-UHFFFAOYSA-N 2 2 396.579 -0.977 20 0 GBADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657744768 1072446790 /nfs/dbraw/zinc/44/67/90/1072446790.db2.gz MCCZFJAWKVRLIY-GOSISDBHSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657744769 1072446361 /nfs/dbraw/zinc/44/63/61/1072446361.db2.gz MCCZFJAWKVRLIY-SFHVURJKSA-N 2 2 396.532 -0.121 20 0 GBADLP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657745545 1072446832 /nfs/dbraw/zinc/44/68/32/1072446832.db2.gz RJZJJHKOHKVJIU-GOSISDBHSA-N 2 2 394.516 -0.367 20 0 GBADLP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657745547 1072446680 /nfs/dbraw/zinc/44/66/80/1072446680.db2.gz RJZJJHKOHKVJIU-SFHVURJKSA-N 2 2 394.516 -0.367 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657746447 1072447480 /nfs/dbraw/zinc/44/74/80/1072447480.db2.gz WUBMXEJJEMPQDF-MSOLQXFVSA-N 2 2 394.516 -0.510 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657746449 1072447626 /nfs/dbraw/zinc/44/76/26/1072447626.db2.gz WUBMXEJJEMPQDF-QZTJIDSGSA-N 2 2 394.516 -0.510 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000657746452 1072447560 /nfs/dbraw/zinc/44/75/60/1072447560.db2.gz WUBMXEJJEMPQDF-ROUUACIJSA-N 2 2 394.516 -0.510 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657746455 1072447454 /nfs/dbraw/zinc/44/74/54/1072447454.db2.gz WUBMXEJJEMPQDF-ZWKOTPCHSA-N 2 2 394.516 -0.510 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657823678 1072527812 /nfs/dbraw/zinc/52/78/12/1072527812.db2.gz KCORNJMQXIQFIN-UHFFFAOYSA-N 2 2 393.488 -0.124 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657823678 1072527804 /nfs/dbraw/zinc/52/78/04/1072527804.db2.gz KCORNJMQXIQFIN-UHFFFAOYSA-N 2 2 393.488 -0.124 20 0 GBADLP C[C@@H](Cn1cncn1)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000657841864 1072548388 /nfs/dbraw/zinc/54/83/88/1072548388.db2.gz HMKZGWDOXOKJTK-HNNXBMFYSA-N 2 2 379.490 -0.197 20 0 GBADLP C[C@H](Cn1cncn1)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000657841867 1072548920 /nfs/dbraw/zinc/54/89/20/1072548920.db2.gz HMKZGWDOXOKJTK-OAHLLOKOSA-N 2 2 379.490 -0.197 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657874494 1072572610 /nfs/dbraw/zinc/57/26/10/1072572610.db2.gz WWXQBPAZOGNKNV-UHFFFAOYSA-N 2 2 375.473 -0.089 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000658179311 1072660562 /nfs/dbraw/zinc/66/05/62/1072660562.db2.gz AVJDVVFQWJIXQR-GOSISDBHSA-N 2 2 395.548 -0.595 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000658179311 1072660558 /nfs/dbraw/zinc/66/05/58/1072660558.db2.gz AVJDVVFQWJIXQR-GOSISDBHSA-N 2 2 395.548 -0.595 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000658179312 1072660370 /nfs/dbraw/zinc/66/03/70/1072660370.db2.gz AVJDVVFQWJIXQR-SFHVURJKSA-N 2 2 395.548 -0.595 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000658179312 1072660363 /nfs/dbraw/zinc/66/03/63/1072660363.db2.gz AVJDVVFQWJIXQR-SFHVURJKSA-N 2 2 395.548 -0.595 20 0 GBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000658191514 1072660767 /nfs/dbraw/zinc/66/07/67/1072660767.db2.gz SEJRBACYCXHCGB-INIZCTEOSA-N 2 2 377.489 -0.942 20 0 GBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000658191514 1072660759 /nfs/dbraw/zinc/66/07/59/1072660759.db2.gz SEJRBACYCXHCGB-INIZCTEOSA-N 2 2 377.489 -0.942 20 0 GBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000658191515 1072660876 /nfs/dbraw/zinc/66/08/76/1072660876.db2.gz SEJRBACYCXHCGB-MRXNPFEDSA-N 2 2 377.489 -0.942 20 0 GBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000658191515 1072660873 /nfs/dbraw/zinc/66/08/73/1072660873.db2.gz SEJRBACYCXHCGB-MRXNPFEDSA-N 2 2 377.489 -0.942 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000658334933 1072666385 /nfs/dbraw/zinc/66/63/85/1072666385.db2.gz FSXBCERALBETKC-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000658334933 1072666380 /nfs/dbraw/zinc/66/63/80/1072666380.db2.gz FSXBCERALBETKC-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000658334967 1072666055 /nfs/dbraw/zinc/66/60/55/1072666055.db2.gz GOEFQLUXUNLVHE-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000658334967 1072666050 /nfs/dbraw/zinc/66/60/50/1072666050.db2.gz GOEFQLUXUNLVHE-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000658335189 1072665887 /nfs/dbraw/zinc/66/58/87/1072665887.db2.gz MQSNCRUIURJYGU-ZDUSSCGKSA-N 2 2 399.517 -0.188 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000658335189 1072665886 /nfs/dbraw/zinc/66/58/86/1072665886.db2.gz MQSNCRUIURJYGU-ZDUSSCGKSA-N 2 2 399.517 -0.188 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000658335261 1072666310 /nfs/dbraw/zinc/66/63/10/1072666310.db2.gz PPXUTDNMGBVXBX-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000658335261 1072666309 /nfs/dbraw/zinc/66/63/09/1072666309.db2.gz PPXUTDNMGBVXBX-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000658335530 1072666203 /nfs/dbraw/zinc/66/62/03/1072666203.db2.gz BFCOCOKNNFUZEW-ZDUSSCGKSA-N 2 2 399.517 -0.339 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000658335530 1072666200 /nfs/dbraw/zinc/66/62/00/1072666200.db2.gz BFCOCOKNNFUZEW-ZDUSSCGKSA-N 2 2 399.517 -0.339 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000658335970 1072666182 /nfs/dbraw/zinc/66/61/82/1072666182.db2.gz KMWDEHGJGTYTGI-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000658335970 1072666177 /nfs/dbraw/zinc/66/61/77/1072666177.db2.gz KMWDEHGJGTYTGI-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000658336964 1072665928 /nfs/dbraw/zinc/66/59/28/1072665928.db2.gz SDOOQZWBGWZDOA-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000658336964 1072665925 /nfs/dbraw/zinc/66/59/25/1072665925.db2.gz SDOOQZWBGWZDOA-AWEZNQCLSA-N 2 2 388.476 -0.011 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000658337152 1072666011 /nfs/dbraw/zinc/66/60/11/1072666011.db2.gz SHWZWISDUSBZHV-ZDUSSCGKSA-N 2 2 399.517 -0.339 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000658337152 1072666004 /nfs/dbraw/zinc/66/60/04/1072666004.db2.gz SHWZWISDUSBZHV-ZDUSSCGKSA-N 2 2 399.517 -0.339 20 0 GBADLP CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000658362109 1072669720 /nfs/dbraw/zinc/66/97/20/1072669720.db2.gz OYVMOPJJUXEMRW-HNNXBMFYSA-N 2 2 378.477 -0.294 20 0 GBADLP CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000658362109 1072669714 /nfs/dbraw/zinc/66/97/14/1072669714.db2.gz OYVMOPJJUXEMRW-HNNXBMFYSA-N 2 2 378.477 -0.294 20 0 GBADLP CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000658362110 1072669790 /nfs/dbraw/zinc/66/97/90/1072669790.db2.gz OYVMOPJJUXEMRW-OAHLLOKOSA-N 2 2 378.477 -0.294 20 0 GBADLP CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000658362110 1072669786 /nfs/dbraw/zinc/66/97/86/1072669786.db2.gz OYVMOPJJUXEMRW-OAHLLOKOSA-N 2 2 378.477 -0.294 20 0 GBADLP CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000658362815 1072669356 /nfs/dbraw/zinc/66/93/56/1072669356.db2.gz SPLYFXALZJSARO-INIZCTEOSA-N 2 2 378.477 -0.294 20 0 GBADLP CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000658362815 1072669352 /nfs/dbraw/zinc/66/93/52/1072669352.db2.gz SPLYFXALZJSARO-INIZCTEOSA-N 2 2 378.477 -0.294 20 0 GBADLP CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658362816 1072669887 /nfs/dbraw/zinc/66/98/87/1072669887.db2.gz SPLYFXALZJSARO-MRXNPFEDSA-N 2 2 378.477 -0.294 20 0 GBADLP CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658362816 1072669883 /nfs/dbraw/zinc/66/98/83/1072669883.db2.gz SPLYFXALZJSARO-MRXNPFEDSA-N 2 2 378.477 -0.294 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@H+]1CCO ZINC000658393089 1072748634 /nfs/dbraw/zinc/74/86/34/1072748634.db2.gz OWNLYKHMGCGULM-UHFFFAOYSA-N 2 2 396.532 -0.528 20 0 GBADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658417628 1072674219 /nfs/dbraw/zinc/67/42/19/1072674219.db2.gz HSOBSNTZMRZIPK-KRWDZBQOSA-N 2 2 387.484 -0.212 20 0 GBADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658417628 1072674214 /nfs/dbraw/zinc/67/42/14/1072674214.db2.gz HSOBSNTZMRZIPK-KRWDZBQOSA-N 2 2 387.484 -0.212 20 0 GBADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658417630 1072674295 /nfs/dbraw/zinc/67/42/95/1072674295.db2.gz HSOBSNTZMRZIPK-QGZVFWFLSA-N 2 2 387.484 -0.212 20 0 GBADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658417630 1072674289 /nfs/dbraw/zinc/67/42/89/1072674289.db2.gz HSOBSNTZMRZIPK-QGZVFWFLSA-N 2 2 387.484 -0.212 20 0 GBADLP Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658425481 1072676375 /nfs/dbraw/zinc/67/63/75/1072676375.db2.gz AXEYXNVXPBSYAE-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658425481 1072676372 /nfs/dbraw/zinc/67/63/72/1072676372.db2.gz AXEYXNVXPBSYAE-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000658425498 1072676347 /nfs/dbraw/zinc/67/63/47/1072676347.db2.gz AYQKFHKBLCOYDZ-UHFFFAOYSA-N 2 2 375.473 -0.089 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000658425498 1072676344 /nfs/dbraw/zinc/67/63/44/1072676344.db2.gz AYQKFHKBLCOYDZ-UHFFFAOYSA-N 2 2 375.473 -0.089 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000658426424 1072676245 /nfs/dbraw/zinc/67/62/45/1072676245.db2.gz HCKPSMOKXXUXMT-UHFFFAOYSA-N 2 2 385.490 -0.728 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000658426424 1072676240 /nfs/dbraw/zinc/67/62/40/1072676240.db2.gz HCKPSMOKXXUXMT-UHFFFAOYSA-N 2 2 385.490 -0.728 20 0 GBADLP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1-n1cnnn1 ZINC000658426577 1072675761 /nfs/dbraw/zinc/67/57/61/1072675761.db2.gz HYHYQQQXOQDMCA-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1-n1cnnn1 ZINC000658426577 1072675754 /nfs/dbraw/zinc/67/57/54/1072675754.db2.gz HYHYQQQXOQDMCA-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1-n1cnnn1 ZINC000658426736 1072675780 /nfs/dbraw/zinc/67/57/80/1072675780.db2.gz IKARWCOMUXZIDK-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1-n1cnnn1 ZINC000658426736 1072675774 /nfs/dbraw/zinc/67/57/74/1072675774.db2.gz IKARWCOMUXZIDK-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP Cn1c2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2n(C)c1=O ZINC000658427173 1072675985 /nfs/dbraw/zinc/67/59/85/1072675985.db2.gz MKOZWTLBBISSFV-UHFFFAOYSA-N 2 2 390.488 -0.185 20 0 GBADLP Cn1c2ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2n(C)c1=O ZINC000658427173 1072675980 /nfs/dbraw/zinc/67/59/80/1072675980.db2.gz MKOZWTLBBISSFV-UHFFFAOYSA-N 2 2 390.488 -0.185 20 0 GBADLP CN1C(=O)COc2cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc21 ZINC000658427259 1072676027 /nfs/dbraw/zinc/67/60/27/1072676027.db2.gz AHWIDADQLJHFNN-UHFFFAOYSA-N 2 2 391.472 -0.020 20 0 GBADLP CN1C(=O)COc2cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc21 ZINC000658427259 1072676020 /nfs/dbraw/zinc/67/60/20/1072676020.db2.gz AHWIDADQLJHFNN-UHFFFAOYSA-N 2 2 391.472 -0.020 20 0 GBADLP Cc1c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1-n1cnnn1 ZINC000658427588 1072676366 /nfs/dbraw/zinc/67/63/66/1072676366.db2.gz OFMNFHFVJYINCV-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP Cc1c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1-n1cnnn1 ZINC000658427588 1072676365 /nfs/dbraw/zinc/67/63/65/1072676365.db2.gz OFMNFHFVJYINCV-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000658427964 1072676298 /nfs/dbraw/zinc/67/62/98/1072676298.db2.gz GJZGZRNLQURQKR-UHFFFAOYSA-N 2 2 389.460 -0.400 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000658427964 1072676293 /nfs/dbraw/zinc/67/62/93/1072676293.db2.gz GJZGZRNLQURQKR-UHFFFAOYSA-N 2 2 389.460 -0.400 20 0 GBADLP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)n(-c2ncccn2)n1 ZINC000658428070 1072676161 /nfs/dbraw/zinc/67/61/61/1072676161.db2.gz IGUNDPBOVVZKOP-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n(-c2ncccn2)n1 ZINC000658428070 1072676155 /nfs/dbraw/zinc/67/61/55/1072676155.db2.gz IGUNDPBOVVZKOP-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000658428075 1072675956 /nfs/dbraw/zinc/67/59/56/1072675956.db2.gz IQTBHBUKLZDDTJ-UHFFFAOYSA-N 2 2 396.513 -0.045 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000658428075 1072675948 /nfs/dbraw/zinc/67/59/48/1072675948.db2.gz IQTBHBUKLZDDTJ-UHFFFAOYSA-N 2 2 396.513 -0.045 20 0 GBADLP CN1C(=O)c2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2C1=O ZINC000658428185 1072676274 /nfs/dbraw/zinc/67/62/74/1072676274.db2.gz SJUNMRLQTMFYOS-UHFFFAOYSA-N 2 2 389.456 -0.149 20 0 GBADLP CN1C(=O)c2ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2C1=O ZINC000658428185 1072676273 /nfs/dbraw/zinc/67/62/73/1072676273.db2.gz SJUNMRLQTMFYOS-UHFFFAOYSA-N 2 2 389.456 -0.149 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000658428195 1072676062 /nfs/dbraw/zinc/67/60/62/1072676062.db2.gz SSKXWCAFCCLXLY-UHFFFAOYSA-N 2 2 377.445 -0.044 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000658428195 1072676054 /nfs/dbraw/zinc/67/60/54/1072676054.db2.gz SSKXWCAFCCLXLY-UHFFFAOYSA-N 2 2 377.445 -0.044 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000658428514 1072681017 /nfs/dbraw/zinc/68/10/17/1072681017.db2.gz LHBRIFLTSCMNKQ-UHFFFAOYSA-N 2 2 399.517 -0.004 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000658428514 1072681015 /nfs/dbraw/zinc/68/10/15/1072681015.db2.gz LHBRIFLTSCMNKQ-UHFFFAOYSA-N 2 2 399.517 -0.004 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000658428528 1072680714 /nfs/dbraw/zinc/68/07/14/1072680714.db2.gz LOJBKDOYULEDQD-UHFFFAOYSA-N 2 2 377.445 -0.044 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000658428528 1072680697 /nfs/dbraw/zinc/68/06/97/1072680697.db2.gz LOJBKDOYULEDQD-UHFFFAOYSA-N 2 2 377.445 -0.044 20 0 GBADLP Cc1ccc(-n2nccc2NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000658428544 1072681216 /nfs/dbraw/zinc/68/12/16/1072681216.db2.gz LSQTTWMWCSEJMW-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP Cc1ccc(-n2nccc2NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000658428544 1072681212 /nfs/dbraw/zinc/68/12/12/1072681212.db2.gz LSQTTWMWCSEJMW-UHFFFAOYSA-N 2 2 388.476 -0.091 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000658428651 1072681147 /nfs/dbraw/zinc/68/11/47/1072681147.db2.gz WTVJUXGFBXNZNN-UHFFFAOYSA-N 2 2 385.490 -0.577 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000658428651 1072681142 /nfs/dbraw/zinc/68/11/42/1072681142.db2.gz WTVJUXGFBXNZNN-UHFFFAOYSA-N 2 2 385.490 -0.577 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000658428672 1072681051 /nfs/dbraw/zinc/68/10/51/1072681051.db2.gz XRUVRASXCZXXRC-UHFFFAOYSA-N 2 2 377.445 -0.044 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000658428672 1072681048 /nfs/dbraw/zinc/68/10/48/1072681048.db2.gz XRUVRASXCZXXRC-UHFFFAOYSA-N 2 2 377.445 -0.044 20 0 GBADLP CN1C(=O)COc2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000658428692 1072680838 /nfs/dbraw/zinc/68/08/38/1072680838.db2.gz XYQNTPYWVKRONZ-UHFFFAOYSA-N 2 2 391.472 -0.020 20 0 GBADLP CN1C(=O)COc2ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000658428692 1072680832 /nfs/dbraw/zinc/68/08/32/1072680832.db2.gz XYQNTPYWVKRONZ-UHFFFAOYSA-N 2 2 391.472 -0.020 20 0 GBADLP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000658428800 1072681189 /nfs/dbraw/zinc/68/11/89/1072681189.db2.gz ZNGPQVKLOQKIGO-UHFFFAOYSA-N 2 2 399.517 -0.419 20 0 GBADLP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000658428800 1072681185 /nfs/dbraw/zinc/68/11/85/1072681185.db2.gz ZNGPQVKLOQKIGO-UHFFFAOYSA-N 2 2 399.517 -0.419 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000658428809 1072681084 /nfs/dbraw/zinc/68/10/84/1072681084.db2.gz XJKODZGYUKIFIP-UHFFFAOYSA-N 2 2 375.473 -0.089 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000658428809 1072681081 /nfs/dbraw/zinc/68/10/81/1072681081.db2.gz XJKODZGYUKIFIP-UHFFFAOYSA-N 2 2 375.473 -0.089 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000658428983 1072680998 /nfs/dbraw/zinc/68/09/98/1072680998.db2.gz QLPZPJSFFUQZOI-UHFFFAOYSA-N 2 2 385.490 -0.728 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000658428983 1072680993 /nfs/dbraw/zinc/68/09/93/1072680993.db2.gz QLPZPJSFFUQZOI-UHFFFAOYSA-N 2 2 385.490 -0.728 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CCNC2=O ZINC000658429154 1072681179 /nfs/dbraw/zinc/68/11/79/1072681179.db2.gz SSZGQQMHHPCQAU-UHFFFAOYSA-N 2 2 375.473 -0.089 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CCNC2=O ZINC000658429154 1072681175 /nfs/dbraw/zinc/68/11/75/1072681175.db2.gz SSZGQQMHHPCQAU-UHFFFAOYSA-N 2 2 375.473 -0.089 20 0 GBADLP CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000658429306 1072673573 /nfs/dbraw/zinc/67/35/73/1072673573.db2.gz VNIZOPQFXQHVRA-UHFFFAOYSA-N 2 2 399.517 -0.467 20 0 GBADLP CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000658429306 1072673570 /nfs/dbraw/zinc/67/35/70/1072673570.db2.gz VNIZOPQFXQHVRA-UHFFFAOYSA-N 2 2 399.517 -0.467 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658432274 1072676324 /nfs/dbraw/zinc/67/63/24/1072676324.db2.gz IYENEUXKICHDHD-MSOLQXFVSA-N 2 2 394.516 -0.633 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658432274 1072676319 /nfs/dbraw/zinc/67/63/19/1072676319.db2.gz IYENEUXKICHDHD-MSOLQXFVSA-N 2 2 394.516 -0.633 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658432315 1072675896 /nfs/dbraw/zinc/67/58/96/1072675896.db2.gz IYENEUXKICHDHD-ROUUACIJSA-N 2 2 394.516 -0.633 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658432315 1072675890 /nfs/dbraw/zinc/67/58/90/1072675890.db2.gz IYENEUXKICHDHD-ROUUACIJSA-N 2 2 394.516 -0.633 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658432319 1072676383 /nfs/dbraw/zinc/67/63/83/1072676383.db2.gz IYENEUXKICHDHD-ZWKOTPCHSA-N 2 2 394.516 -0.633 20 0 GBADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658432319 1072676381 /nfs/dbraw/zinc/67/63/81/1072676381.db2.gz IYENEUXKICHDHD-ZWKOTPCHSA-N 2 2 394.516 -0.633 20 0 GBADLP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000658432825 1072676995 /nfs/dbraw/zinc/67/69/95/1072676995.db2.gz MUHGSVASNWRADL-MSOLQXFVSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000658432826 1072676979 /nfs/dbraw/zinc/67/69/79/1072676979.db2.gz MUHGSVASNWRADL-QZTJIDSGSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000658432827 1072677065 /nfs/dbraw/zinc/67/70/65/1072677065.db2.gz MUHGSVASNWRADL-ROUUACIJSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000658432828 1072676986 /nfs/dbraw/zinc/67/69/86/1072676986.db2.gz MUHGSVASNWRADL-ZWKOTPCHSA-N 2 2 396.532 -0.121 20 0 GBADLP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000658448358 1072689080 /nfs/dbraw/zinc/68/90/80/1072689080.db2.gz GAWQBSPLBKZZLB-UHFFFAOYSA-N 2 2 386.460 -0.968 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000658459886 1072686784 /nfs/dbraw/zinc/68/67/84/1072686784.db2.gz JHOMLQUUJJLLQQ-KRWDZBQOSA-N 2 2 384.521 -0.264 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000658459893 1072686874 /nfs/dbraw/zinc/68/68/74/1072686874.db2.gz JHOMLQUUJJLLQQ-QGZVFWFLSA-N 2 2 384.521 -0.264 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658460563 1072687309 /nfs/dbraw/zinc/68/73/09/1072687309.db2.gz NRXQNJZELFQDLV-KRWDZBQOSA-N 2 2 382.505 -0.775 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658460563 1072687306 /nfs/dbraw/zinc/68/73/06/1072687306.db2.gz NRXQNJZELFQDLV-KRWDZBQOSA-N 2 2 382.505 -0.775 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658460564 1072687693 /nfs/dbraw/zinc/68/76/93/1072687693.db2.gz NRXQNJZELFQDLV-QGZVFWFLSA-N 2 2 382.505 -0.775 20 0 GBADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658460564 1072687685 /nfs/dbraw/zinc/68/76/85/1072687685.db2.gz NRXQNJZELFQDLV-QGZVFWFLSA-N 2 2 382.505 -0.775 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658468529 1072691308 /nfs/dbraw/zinc/69/13/08/1072691308.db2.gz WYOMJZVFPADDKJ-UHFFFAOYSA-N 2 2 381.521 -0.591 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658468529 1072691300 /nfs/dbraw/zinc/69/13/00/1072691300.db2.gz WYOMJZVFPADDKJ-UHFFFAOYSA-N 2 2 381.521 -0.591 20 0 GBADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000658495366 1072693644 /nfs/dbraw/zinc/69/36/44/1072693644.db2.gz PHCIAQVYIWLALN-DOTOQJQBSA-N 2 2 384.521 -0.362 20 0 GBADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000658495366 1072693642 /nfs/dbraw/zinc/69/36/42/1072693642.db2.gz PHCIAQVYIWLALN-DOTOQJQBSA-N 2 2 384.521 -0.362 20 0 GBADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000658495367 1072693732 /nfs/dbraw/zinc/69/37/32/1072693732.db2.gz PHCIAQVYIWLALN-NVXWUHKLSA-N 2 2 384.521 -0.362 20 0 GBADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000658495367 1072693725 /nfs/dbraw/zinc/69/37/25/1072693725.db2.gz PHCIAQVYIWLALN-NVXWUHKLSA-N 2 2 384.521 -0.362 20 0 GBADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000658495368 1072693850 /nfs/dbraw/zinc/69/38/50/1072693850.db2.gz PHCIAQVYIWLALN-RDJZCZTQSA-N 2 2 384.521 -0.362 20 0 GBADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000658495368 1072693847 /nfs/dbraw/zinc/69/38/47/1072693847.db2.gz PHCIAQVYIWLALN-RDJZCZTQSA-N 2 2 384.521 -0.362 20 0 GBADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000658495369 1072693681 /nfs/dbraw/zinc/69/36/81/1072693681.db2.gz PHCIAQVYIWLALN-WBVHZDCISA-N 2 2 384.521 -0.362 20 0 GBADLP 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CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000658622861 1072759677 /nfs/dbraw/zinc/75/96/77/1072759677.db2.gz DPYNBSRNLBTVJF-ROUUACIJSA-N 2 2 396.532 -0.123 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000658622861 1072759672 /nfs/dbraw/zinc/75/96/72/1072759672.db2.gz DPYNBSRNLBTVJF-ROUUACIJSA-N 2 2 396.532 -0.123 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000658622863 1072759554 /nfs/dbraw/zinc/75/95/54/1072759554.db2.gz DPYNBSRNLBTVJF-ZWKOTPCHSA-N 2 2 396.532 -0.123 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000658622863 1072759547 /nfs/dbraw/zinc/75/95/47/1072759547.db2.gz DPYNBSRNLBTVJF-ZWKOTPCHSA-N 2 2 396.532 -0.123 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658649274 1072766927 /nfs/dbraw/zinc/76/69/27/1072766927.db2.gz MRQOBTNRKJOPEV-HNNXBMFYSA-N 2 2 381.521 -0.402 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658649274 1072766918 /nfs/dbraw/zinc/76/69/18/1072766918.db2.gz MRQOBTNRKJOPEV-HNNXBMFYSA-N 2 2 381.521 -0.402 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658649275 1072766503 /nfs/dbraw/zinc/76/65/03/1072766503.db2.gz MRQOBTNRKJOPEV-OAHLLOKOSA-N 2 2 381.521 -0.402 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658649275 1072766496 /nfs/dbraw/zinc/76/64/96/1072766496.db2.gz MRQOBTNRKJOPEV-OAHLLOKOSA-N 2 2 381.521 -0.402 20 0 GBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658687815 1072777709 /nfs/dbraw/zinc/77/77/09/1072777709.db2.gz ILCDSDBYAUXDRE-KRWDZBQOSA-N 2 2 396.532 -0.387 20 0 GBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658687815 1072777700 /nfs/dbraw/zinc/77/77/00/1072777700.db2.gz ILCDSDBYAUXDRE-KRWDZBQOSA-N 2 2 396.532 -0.387 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658687815 1072777688 /nfs/dbraw/zinc/77/76/88/1072777688.db2.gz ILCDSDBYAUXDRE-KRWDZBQOSA-N 2 2 396.532 -0.387 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658687815 1072777677 /nfs/dbraw/zinc/77/76/77/1072777677.db2.gz ILCDSDBYAUXDRE-KRWDZBQOSA-N 2 2 396.532 -0.387 20 0 GBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658687817 1072777354 /nfs/dbraw/zinc/77/73/54/1072777354.db2.gz ILCDSDBYAUXDRE-QGZVFWFLSA-N 2 2 396.532 -0.387 20 0 GBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658687817 1072777347 /nfs/dbraw/zinc/77/73/47/1072777347.db2.gz ILCDSDBYAUXDRE-QGZVFWFLSA-N 2 2 396.532 -0.387 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658687817 1072777340 /nfs/dbraw/zinc/77/73/40/1072777340.db2.gz ILCDSDBYAUXDRE-QGZVFWFLSA-N 2 2 396.532 -0.387 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658687817 1072777335 /nfs/dbraw/zinc/77/73/35/1072777335.db2.gz ILCDSDBYAUXDRE-QGZVFWFLSA-N 2 2 396.532 -0.387 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC2)c1 ZINC000658714804 1072785649 /nfs/dbraw/zinc/78/56/49/1072785649.db2.gz ZVLRINQAZXYQFA-UHFFFAOYSA-N 2 2 389.500 -0.046 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC2)c1 ZINC000658714804 1072785646 /nfs/dbraw/zinc/78/56/46/1072785646.db2.gz ZVLRINQAZXYQFA-UHFFFAOYSA-N 2 2 389.500 -0.046 20 0 GBADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658779082 1072806164 /nfs/dbraw/zinc/80/61/64/1072806164.db2.gz NTPADHNFUNDAFM-HNNXBMFYSA-N 2 2 378.477 -0.246 20 0 GBADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658779082 1072806154 /nfs/dbraw/zinc/80/61/54/1072806154.db2.gz NTPADHNFUNDAFM-HNNXBMFYSA-N 2 2 378.477 -0.246 20 0 GBADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658779084 1072806369 /nfs/dbraw/zinc/80/63/69/1072806369.db2.gz NTPADHNFUNDAFM-OAHLLOKOSA-N 2 2 378.477 -0.246 20 0 GBADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658779084 1072806352 /nfs/dbraw/zinc/80/63/52/1072806352.db2.gz NTPADHNFUNDAFM-OAHLLOKOSA-N 2 2 378.477 -0.246 20 0 GBADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000658780303 1072805099 /nfs/dbraw/zinc/80/50/99/1072805099.db2.gz WLGHFNPYVDQQGF-HNNXBMFYSA-N 2 2 378.477 -0.246 20 0 GBADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000658780303 1072805083 /nfs/dbraw/zinc/80/50/83/1072805083.db2.gz WLGHFNPYVDQQGF-HNNXBMFYSA-N 2 2 378.477 -0.246 20 0 GBADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000658780305 1072804472 /nfs/dbraw/zinc/80/44/72/1072804472.db2.gz WLGHFNPYVDQQGF-OAHLLOKOSA-N 2 2 378.477 -0.246 20 0 GBADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000658780305 1072804456 /nfs/dbraw/zinc/80/44/56/1072804456.db2.gz WLGHFNPYVDQQGF-OAHLLOKOSA-N 2 2 378.477 -0.246 20 0 GBADLP CCN(C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658807126 1072839483 /nfs/dbraw/zinc/83/94/83/1072839483.db2.gz LTCOMUOKFDAKCK-KRWDZBQOSA-N 2 2 393.532 -0.448 20 0 GBADLP CCN(C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658807126 1072839474 /nfs/dbraw/zinc/83/94/74/1072839474.db2.gz LTCOMUOKFDAKCK-KRWDZBQOSA-N 2 2 393.532 -0.448 20 0 GBADLP CCN(C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658807127 1072839373 /nfs/dbraw/zinc/83/93/73/1072839373.db2.gz LTCOMUOKFDAKCK-QGZVFWFLSA-N 2 2 393.532 -0.448 20 0 GBADLP CCN(C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658807127 1072839366 /nfs/dbraw/zinc/83/93/66/1072839366.db2.gz LTCOMUOKFDAKCK-QGZVFWFLSA-N 2 2 393.532 -0.448 20 0 GBADLP CCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658823932 1072862799 /nfs/dbraw/zinc/86/27/99/1072862799.db2.gz GENQEHLLBUOSED-INIZCTEOSA-N 2 2 381.521 -0.448 20 0 GBADLP CCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658823932 1072862783 /nfs/dbraw/zinc/86/27/83/1072862783.db2.gz GENQEHLLBUOSED-INIZCTEOSA-N 2 2 381.521 -0.448 20 0 GBADLP CCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658823938 1072862222 /nfs/dbraw/zinc/86/22/22/1072862222.db2.gz GENQEHLLBUOSED-MRXNPFEDSA-N 2 2 381.521 -0.448 20 0 GBADLP CCN(C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658823938 1072862206 /nfs/dbraw/zinc/86/22/06/1072862206.db2.gz GENQEHLLBUOSED-MRXNPFEDSA-N 2 2 381.521 -0.448 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902785 1072942323 /nfs/dbraw/zinc/94/23/23/1072942323.db2.gz FRRQTNMBZOXSML-CBZIJGRNSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902785 1072942314 /nfs/dbraw/zinc/94/23/14/1072942314.db2.gz FRRQTNMBZOXSML-CBZIJGRNSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902785 1072942307 /nfs/dbraw/zinc/94/23/07/1072942307.db2.gz FRRQTNMBZOXSML-CBZIJGRNSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902785 1072942295 /nfs/dbraw/zinc/94/22/95/1072942295.db2.gz FRRQTNMBZOXSML-CBZIJGRNSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902786 1072942265 /nfs/dbraw/zinc/94/22/65/1072942265.db2.gz FRRQTNMBZOXSML-CUSZFKRNSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902786 1072942257 /nfs/dbraw/zinc/94/22/57/1072942257.db2.gz FRRQTNMBZOXSML-CUSZFKRNSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902786 1072942252 /nfs/dbraw/zinc/94/22/52/1072942252.db2.gz FRRQTNMBZOXSML-CUSZFKRNSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902786 1072942248 /nfs/dbraw/zinc/94/22/48/1072942248.db2.gz FRRQTNMBZOXSML-CUSZFKRNSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902787 1072941968 /nfs/dbraw/zinc/94/19/68/1072941968.db2.gz FRRQTNMBZOXSML-LISAXSMJSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902787 1072941965 /nfs/dbraw/zinc/94/19/65/1072941965.db2.gz FRRQTNMBZOXSML-LISAXSMJSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902787 1072941961 /nfs/dbraw/zinc/94/19/61/1072941961.db2.gz FRRQTNMBZOXSML-LISAXSMJSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902787 1072941958 /nfs/dbraw/zinc/94/19/58/1072941958.db2.gz FRRQTNMBZOXSML-LISAXSMJSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902788 1072942221 /nfs/dbraw/zinc/94/22/21/1072942221.db2.gz FRRQTNMBZOXSML-XLMAVXFVSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902788 1072942216 /nfs/dbraw/zinc/94/22/16/1072942216.db2.gz FRRQTNMBZOXSML-XLMAVXFVSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902788 1072942213 /nfs/dbraw/zinc/94/22/13/1072942213.db2.gz FRRQTNMBZOXSML-XLMAVXFVSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658902788 1072942203 /nfs/dbraw/zinc/94/22/03/1072942203.db2.gz FRRQTNMBZOXSML-XLMAVXFVSA-N 2 2 396.532 -0.342 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@H+]1CCO ZINC000659072316 1072990310 /nfs/dbraw/zinc/99/03/10/1072990310.db2.gz FHUUTFBMNFRPKO-PBHICJAKSA-N 2 2 376.457 -0.189 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1CCO ZINC000659072316 1072990304 /nfs/dbraw/zinc/99/03/04/1072990304.db2.gz FHUUTFBMNFRPKO-PBHICJAKSA-N 2 2 376.457 -0.189 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@H+]1CCO ZINC000659072317 1072990724 /nfs/dbraw/zinc/99/07/24/1072990724.db2.gz FHUUTFBMNFRPKO-RHSMWYFYSA-N 2 2 376.457 -0.189 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1CCO ZINC000659072317 1072990718 /nfs/dbraw/zinc/99/07/18/1072990718.db2.gz FHUUTFBMNFRPKO-RHSMWYFYSA-N 2 2 376.457 -0.189 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@H+]1CCO ZINC000659072318 1072990607 /nfs/dbraw/zinc/99/06/07/1072990607.db2.gz FHUUTFBMNFRPKO-WMLDXEAASA-N 2 2 376.457 -0.189 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1CCO ZINC000659072318 1072990598 /nfs/dbraw/zinc/99/05/98/1072990598.db2.gz FHUUTFBMNFRPKO-WMLDXEAASA-N 2 2 376.457 -0.189 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@H+]1CCO ZINC000659072319 1072990217 /nfs/dbraw/zinc/99/02/17/1072990217.db2.gz FHUUTFBMNFRPKO-YOEHRIQHSA-N 2 2 376.457 -0.189 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1CCO ZINC000659072319 1072990210 /nfs/dbraw/zinc/99/02/10/1072990210.db2.gz FHUUTFBMNFRPKO-YOEHRIQHSA-N 2 2 376.457 -0.189 20 0 GBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000659073796 1072991550 /nfs/dbraw/zinc/99/15/50/1072991550.db2.gz RJGFMGQCNDPHBS-MSOLQXFVSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000659073797 1072991657 /nfs/dbraw/zinc/99/16/57/1072991657.db2.gz RJGFMGQCNDPHBS-QZTJIDSGSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659073799 1072991154 /nfs/dbraw/zinc/99/11/54/1072991154.db2.gz RJGFMGQCNDPHBS-ROUUACIJSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659073800 1072991599 /nfs/dbraw/zinc/99/15/99/1072991599.db2.gz RJGFMGQCNDPHBS-ZWKOTPCHSA-N 2 2 396.532 -0.121 20 0 GBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659073818 1072991504 /nfs/dbraw/zinc/99/15/04/1072991504.db2.gz WGBCUNBBPXSSHT-INIZCTEOSA-N 2 2 384.521 -0.529 20 0 GBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659073818 1072991500 /nfs/dbraw/zinc/99/15/00/1072991500.db2.gz WGBCUNBBPXSSHT-INIZCTEOSA-N 2 2 384.521 -0.529 20 0 GBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659073820 1072991237 /nfs/dbraw/zinc/99/12/37/1072991237.db2.gz WGBCUNBBPXSSHT-MRXNPFEDSA-N 2 2 384.521 -0.529 20 0 GBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659073820 1072991235 /nfs/dbraw/zinc/99/12/35/1072991235.db2.gz WGBCUNBBPXSSHT-MRXNPFEDSA-N 2 2 384.521 -0.529 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659075769 1072991640 /nfs/dbraw/zinc/99/16/40/1072991640.db2.gz ZFXVJSOOSMBIAS-WMLDXEAASA-N 2 2 376.457 -0.189 20 0 GBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659075770 1072991764 /nfs/dbraw/zinc/99/17/64/1072991764.db2.gz ZFXVJSOOSMBIAS-YOEHRIQHSA-N 2 2 376.457 -0.189 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000659094399 1072994966 /nfs/dbraw/zinc/99/49/66/1072994966.db2.gz KTHPAIUJGGNHQF-HNNXBMFYSA-N 3 2 376.505 -0.164 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000659094399 1072994961 /nfs/dbraw/zinc/99/49/61/1072994961.db2.gz KTHPAIUJGGNHQF-HNNXBMFYSA-N 3 2 376.505 -0.164 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000659094400 1072995397 /nfs/dbraw/zinc/99/53/97/1072995397.db2.gz KTHPAIUJGGNHQF-OAHLLOKOSA-N 3 2 376.505 -0.164 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000659094400 1072995391 /nfs/dbraw/zinc/99/53/91/1072995391.db2.gz KTHPAIUJGGNHQF-OAHLLOKOSA-N 3 2 376.505 -0.164 20 0 GBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659102145 1072996982 /nfs/dbraw/zinc/99/69/82/1072996982.db2.gz RFRKQJLCFTZWLR-UHFFFAOYSA-N 2 2 385.468 -0.038 20 0 GBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659105500 1072996225 /nfs/dbraw/zinc/99/62/25/1072996225.db2.gz NHYVYFWWEKHYDW-UHFFFAOYSA-N 2 2 385.468 -0.119 20 0 GBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2)CC1 ZINC000659109448 1072998446 /nfs/dbraw/zinc/99/84/46/1072998446.db2.gz GGAMUOSTFKRWAO-HZPDHXFCSA-N 2 2 391.447 -0.090 20 0 GBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659110335 1072998850 /nfs/dbraw/zinc/99/88/50/1072998850.db2.gz BWOXJMAIKMFNSW-HUUCEWRRSA-N 2 2 391.447 -0.090 20 0 GBADLP CC(C)OC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659289921 1073017187 /nfs/dbraw/zinc/01/71/87/1073017187.db2.gz HGTAZVOYJHJUBT-HNNXBMFYSA-N 2 2 399.517 -0.598 20 0 GBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659318550 1073040492 /nfs/dbraw/zinc/04/04/92/1073040492.db2.gz DGAAOGAZNOMRAO-KRWDZBQOSA-N 3 2 383.537 -0.739 20 0 GBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000659318551 1073040552 /nfs/dbraw/zinc/04/05/52/1073040552.db2.gz DGAAOGAZNOMRAO-QGZVFWFLSA-N 3 2 383.537 -0.739 20 0 GBADLP CC(C)N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344516 1073042572 /nfs/dbraw/zinc/04/25/72/1073042572.db2.gz BCOPRJNPVHNAAD-KRWDZBQOSA-N 2 2 393.532 -0.308 20 0 GBADLP CC(C)N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344516 1073042559 /nfs/dbraw/zinc/04/25/59/1073042559.db2.gz BCOPRJNPVHNAAD-KRWDZBQOSA-N 2 2 393.532 -0.308 20 0 GBADLP CC(C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344517 1073042615 /nfs/dbraw/zinc/04/26/15/1073042615.db2.gz BCOPRJNPVHNAAD-QGZVFWFLSA-N 2 2 393.532 -0.308 20 0 GBADLP CC(C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344517 1073042608 /nfs/dbraw/zinc/04/26/08/1073042608.db2.gz BCOPRJNPVHNAAD-QGZVFWFLSA-N 2 2 393.532 -0.308 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](CO)O1 ZINC000659344532 1073041897 /nfs/dbraw/zinc/04/18/97/1073041897.db2.gz BVASUMIWOPETLA-DJIMGWMZSA-N 2 2 382.505 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](CO)O1 ZINC000659344532 1073041885 /nfs/dbraw/zinc/04/18/85/1073041885.db2.gz BVASUMIWOPETLA-DJIMGWMZSA-N 2 2 382.505 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](CO)O1 ZINC000659344533 1073041824 /nfs/dbraw/zinc/04/18/24/1073041824.db2.gz BVASUMIWOPETLA-HYVNUMGLSA-N 2 2 382.505 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](CO)O1 ZINC000659344533 1073041817 /nfs/dbraw/zinc/04/18/17/1073041817.db2.gz BVASUMIWOPETLA-HYVNUMGLSA-N 2 2 382.505 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](CO)O1 ZINC000659344534 1073042707 /nfs/dbraw/zinc/04/27/07/1073042707.db2.gz BVASUMIWOPETLA-OIISXLGYSA-N 2 2 382.505 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](CO)O1 ZINC000659344534 1073042703 /nfs/dbraw/zinc/04/27/03/1073042703.db2.gz BVASUMIWOPETLA-OIISXLGYSA-N 2 2 382.505 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](CO)O1 ZINC000659344535 1073042136 /nfs/dbraw/zinc/04/21/36/1073042136.db2.gz BVASUMIWOPETLA-PVAVHDDUSA-N 2 2 382.505 -0.779 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](CO)O1 ZINC000659344535 1073042125 /nfs/dbraw/zinc/04/21/25/1073042125.db2.gz BVASUMIWOPETLA-PVAVHDDUSA-N 2 2 382.505 -0.779 20 0 GBADLP CCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344581 1073042683 /nfs/dbraw/zinc/04/26/83/1073042683.db2.gz HCQGKEVZHYOLJS-INIZCTEOSA-N 2 2 379.505 -0.696 20 0 GBADLP CCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344581 1073042679 /nfs/dbraw/zinc/04/26/79/1073042679.db2.gz HCQGKEVZHYOLJS-INIZCTEOSA-N 2 2 379.505 -0.696 20 0 GBADLP CCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344582 1073042340 /nfs/dbraw/zinc/04/23/40/1073042340.db2.gz HCQGKEVZHYOLJS-MRXNPFEDSA-N 2 2 379.505 -0.696 20 0 GBADLP CCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344582 1073042333 /nfs/dbraw/zinc/04/23/33/1073042333.db2.gz HCQGKEVZHYOLJS-MRXNPFEDSA-N 2 2 379.505 -0.696 20 0 GBADLP COC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344764 1073041981 /nfs/dbraw/zinc/04/19/81/1073041981.db2.gz KHURCNKCAQQDGO-JQHSSLGASA-N 2 2 396.532 -0.124 20 0 GBADLP COC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344764 1073041972 /nfs/dbraw/zinc/04/19/72/1073041972.db2.gz KHURCNKCAQQDGO-JQHSSLGASA-N 2 2 396.532 -0.124 20 0 GBADLP COC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000659344766 1073042192 /nfs/dbraw/zinc/04/21/92/1073042192.db2.gz KHURCNKCAQQDGO-NJAFHUGGSA-N 2 2 396.532 -0.124 20 0 GBADLP COC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000659344766 1073042183 /nfs/dbraw/zinc/04/21/83/1073042183.db2.gz KHURCNKCAQQDGO-NJAFHUGGSA-N 2 2 396.532 -0.124 20 0 GBADLP COC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000659344768 1073042849 /nfs/dbraw/zinc/04/28/49/1073042849.db2.gz KHURCNKCAQQDGO-NXHRZFHOSA-N 2 2 396.532 -0.124 20 0 GBADLP COC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000659344768 1073042843 /nfs/dbraw/zinc/04/28/43/1073042843.db2.gz KHURCNKCAQQDGO-NXHRZFHOSA-N 2 2 396.532 -0.124 20 0 GBADLP COC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344770 1073042736 /nfs/dbraw/zinc/04/27/36/1073042736.db2.gz KHURCNKCAQQDGO-SZMVWBNQSA-N 2 2 396.532 -0.124 20 0 GBADLP COC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344770 1073042732 /nfs/dbraw/zinc/04/27/32/1073042732.db2.gz KHURCNKCAQQDGO-SZMVWBNQSA-N 2 2 396.532 -0.124 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1C ZINC000659344973 1073043105 /nfs/dbraw/zinc/04/31/05/1073043105.db2.gz OGDNIKBEVQFAAR-GDBMZVCRSA-N 2 2 379.505 -0.698 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1C ZINC000659344973 1073043098 /nfs/dbraw/zinc/04/30/98/1073043098.db2.gz OGDNIKBEVQFAAR-GDBMZVCRSA-N 2 2 379.505 -0.698 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1C ZINC000659344975 1073042813 /nfs/dbraw/zinc/04/28/13/1073042813.db2.gz OGDNIKBEVQFAAR-GOEBONIOSA-N 2 2 379.505 -0.698 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1C ZINC000659344975 1073042810 /nfs/dbraw/zinc/04/28/10/1073042810.db2.gz OGDNIKBEVQFAAR-GOEBONIOSA-N 2 2 379.505 -0.698 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1C ZINC000659344977 1073043056 /nfs/dbraw/zinc/04/30/56/1073043056.db2.gz OGDNIKBEVQFAAR-HOCLYGCPSA-N 2 2 379.505 -0.698 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1C ZINC000659344977 1073043048 /nfs/dbraw/zinc/04/30/48/1073043048.db2.gz OGDNIKBEVQFAAR-HOCLYGCPSA-N 2 2 379.505 -0.698 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1C ZINC000659344979 1073042047 /nfs/dbraw/zinc/04/20/47/1073042047.db2.gz OGDNIKBEVQFAAR-ZBFHGGJFSA-N 2 2 379.505 -0.698 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1C ZINC000659344979 1073042033 /nfs/dbraw/zinc/04/20/33/1073042033.db2.gz OGDNIKBEVQFAAR-ZBFHGGJFSA-N 2 2 379.505 -0.698 20 0 GBADLP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000659345024 1073042476 /nfs/dbraw/zinc/04/24/76/1073042476.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 3 2 377.533 -0.224 20 0 GBADLP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000659345024 1073042469 /nfs/dbraw/zinc/04/24/69/1073042469.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 3 2 377.533 -0.224 20 0 GBADLP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345024 1073042457 /nfs/dbraw/zinc/04/24/57/1073042457.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 3 2 377.533 -0.224 20 0 GBADLP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345024 1073042442 /nfs/dbraw/zinc/04/24/42/1073042442.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 3 2 377.533 -0.224 20 0 GBADLP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000659345025 1073042977 /nfs/dbraw/zinc/04/29/77/1073042977.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 3 2 377.533 -0.224 20 0 GBADLP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000659345025 1073042966 /nfs/dbraw/zinc/04/29/66/1073042966.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 3 2 377.533 -0.224 20 0 GBADLP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345025 1073042952 /nfs/dbraw/zinc/04/29/52/1073042952.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 3 2 377.533 -0.224 20 0 GBADLP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345025 1073042937 /nfs/dbraw/zinc/04/29/37/1073042937.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 3 2 377.533 -0.224 20 0 GBADLP CN(C(=O)C(=O)N1CCN(C2CC2)C(=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345047 1073042239 /nfs/dbraw/zinc/04/22/39/1073042239.db2.gz VEXSTXBDABRNMP-KRWDZBQOSA-N 2 2 391.516 -0.554 20 0 GBADLP CN(C(=O)C(=O)N1CCN(C2CC2)C(=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345047 1073042232 /nfs/dbraw/zinc/04/22/32/1073042232.db2.gz VEXSTXBDABRNMP-KRWDZBQOSA-N 2 2 391.516 -0.554 20 0 GBADLP CN(C(=O)C(=O)N1CCN(C2CC2)C(=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345048 1073042271 /nfs/dbraw/zinc/04/22/71/1073042271.db2.gz VEXSTXBDABRNMP-QGZVFWFLSA-N 2 2 391.516 -0.554 20 0 GBADLP CN(C(=O)C(=O)N1CCN(C2CC2)C(=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345048 1073042266 /nfs/dbraw/zinc/04/22/66/1073042266.db2.gz VEXSTXBDABRNMP-QGZVFWFLSA-N 2 2 391.516 -0.554 20 0 GBADLP CN(CC(C)(C)[NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659434083 1073048520 /nfs/dbraw/zinc/04/85/20/1073048520.db2.gz GVJXVVPJOIGTEV-UHFFFAOYSA-N 2 2 398.533 -0.088 20 0 GBADLP C[NH2+]C[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659434992 1073049958 /nfs/dbraw/zinc/04/99/58/1073049958.db2.gz RJBONYYHHZGXRX-AWEZNQCLSA-N 2 2 384.506 -0.560 20 0 GBADLP C[NH2+]C[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659434994 1073050080 /nfs/dbraw/zinc/05/00/80/1073050080.db2.gz RJBONYYHHZGXRX-CQSZACIVSA-N 2 2 384.506 -0.560 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000659441114 1073049489 /nfs/dbraw/zinc/04/94/89/1073049489.db2.gz ASYKGXZNHPDNBQ-INIZCTEOSA-N 2 2 382.490 -0.352 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000659441116 1073049341 /nfs/dbraw/zinc/04/93/41/1073049341.db2.gz ASYKGXZNHPDNBQ-MRXNPFEDSA-N 2 2 382.490 -0.352 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000659488936 1073052711 /nfs/dbraw/zinc/05/27/11/1073052711.db2.gz XALQGJRXXOALSZ-MSOLQXFVSA-N 2 2 395.548 -0.740 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000659488936 1073052706 /nfs/dbraw/zinc/05/27/06/1073052706.db2.gz XALQGJRXXOALSZ-MSOLQXFVSA-N 2 2 395.548 -0.740 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000659488937 1073053076 /nfs/dbraw/zinc/05/30/76/1073053076.db2.gz XALQGJRXXOALSZ-QZTJIDSGSA-N 2 2 395.548 -0.740 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000659488937 1073053063 /nfs/dbraw/zinc/05/30/63/1073053063.db2.gz XALQGJRXXOALSZ-QZTJIDSGSA-N 2 2 395.548 -0.740 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000659488938 1073052758 /nfs/dbraw/zinc/05/27/58/1073052758.db2.gz XALQGJRXXOALSZ-ROUUACIJSA-N 2 2 395.548 -0.740 20 0 GBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000659488938 1073052752 /nfs/dbraw/zinc/05/27/52/1073052752.db2.gz XALQGJRXXOALSZ-ROUUACIJSA-N 2 2 395.548 -0.740 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000659488939 1073052472 /nfs/dbraw/zinc/05/24/72/1073052472.db2.gz XALQGJRXXOALSZ-ZWKOTPCHSA-N 2 2 395.548 -0.740 20 0 GBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000659488939 1073052455 /nfs/dbraw/zinc/05/24/55/1073052455.db2.gz XALQGJRXXOALSZ-ZWKOTPCHSA-N 2 2 395.548 -0.740 20 0 GBADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000659489191 1073051460 /nfs/dbraw/zinc/05/14/60/1073051460.db2.gz ZGCGHAKKERXAAR-DLBZAZTESA-N 2 2 384.521 -0.673 20 0 GBADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000659489191 1073051454 /nfs/dbraw/zinc/05/14/54/1073051454.db2.gz ZGCGHAKKERXAAR-DLBZAZTESA-N 2 2 384.521 -0.673 20 0 GBADLP CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000659489192 1073051718 /nfs/dbraw/zinc/05/17/18/1073051718.db2.gz ZGCGHAKKERXAAR-IAGOWNOFSA-N 2 2 384.521 -0.673 20 0 GBADLP CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000659489192 1073051710 /nfs/dbraw/zinc/05/17/10/1073051710.db2.gz ZGCGHAKKERXAAR-IAGOWNOFSA-N 2 2 384.521 -0.673 20 0 GBADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000659489193 1073051908 /nfs/dbraw/zinc/05/19/08/1073051908.db2.gz ZGCGHAKKERXAAR-IRXDYDNUSA-N 2 2 384.521 -0.673 20 0 GBADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000659489193 1073051897 /nfs/dbraw/zinc/05/18/97/1073051897.db2.gz ZGCGHAKKERXAAR-IRXDYDNUSA-N 2 2 384.521 -0.673 20 0 GBADLP CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000659489194 1073052269 /nfs/dbraw/zinc/05/22/69/1073052269.db2.gz ZGCGHAKKERXAAR-SJORKVTESA-N 2 2 384.521 -0.673 20 0 GBADLP CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000659489194 1073052262 /nfs/dbraw/zinc/05/22/62/1073052262.db2.gz ZGCGHAKKERXAAR-SJORKVTESA-N 2 2 384.521 -0.673 20 0 GBADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659506408 1073053479 /nfs/dbraw/zinc/05/34/79/1073053479.db2.gz ABSOCXJRAIVHED-GOSISDBHSA-N 2 2 388.516 -0.466 20 0 GBADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659506408 1073053467 /nfs/dbraw/zinc/05/34/67/1073053467.db2.gz ABSOCXJRAIVHED-GOSISDBHSA-N 2 2 388.516 -0.466 20 0 GBADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659506409 1073054196 /nfs/dbraw/zinc/05/41/96/1073054196.db2.gz ABSOCXJRAIVHED-SFHVURJKSA-N 2 2 388.516 -0.466 20 0 GBADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659506409 1073054192 /nfs/dbraw/zinc/05/41/92/1073054192.db2.gz ABSOCXJRAIVHED-SFHVURJKSA-N 2 2 388.516 -0.466 20 0 GBADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659538182 1073056222 /nfs/dbraw/zinc/05/62/22/1073056222.db2.gz JJZJYJDMGZEXJD-KBPBESRZSA-N 2 2 379.427 -0.061 20 0 GBADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659538186 1073055940 /nfs/dbraw/zinc/05/59/40/1073055940.db2.gz JJZJYJDMGZEXJD-KGLIPLIRSA-N 2 2 379.427 -0.061 20 0 GBADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659538187 1073056189 /nfs/dbraw/zinc/05/61/89/1073056189.db2.gz JJZJYJDMGZEXJD-UONOGXRCSA-N 2 2 379.427 -0.061 20 0 GBADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659538189 1073056091 /nfs/dbraw/zinc/05/60/91/1073056091.db2.gz JJZJYJDMGZEXJD-ZIAGYGMSSA-N 2 2 379.427 -0.061 20 0 GBADLP O=C(NCC12CC(C1)C[NH2+]2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000659619382 1073059235 /nfs/dbraw/zinc/05/92/35/1073059235.db2.gz XBUPRMGCFJOBFI-UHFFFAOYSA-N 2 2 387.488 -0.103 20 0 GBADLP O=C(NCC12CC(C1)C[NH2+]2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000659619382 1073059230 /nfs/dbraw/zinc/05/92/30/1073059230.db2.gz XBUPRMGCFJOBFI-UHFFFAOYSA-N 2 2 387.488 -0.103 20 0 GBADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000659624588 1073061582 /nfs/dbraw/zinc/06/15/82/1073061582.db2.gz QXYLLWHGWTWTEA-OAHLLOKOSA-N 2 2 390.554 -0.821 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659633320 1073061714 /nfs/dbraw/zinc/06/17/14/1073061714.db2.gz RRDNWQCIVQFEES-UHFFFAOYSA-N 2 2 393.492 -0.273 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659633320 1073061708 /nfs/dbraw/zinc/06/17/08/1073061708.db2.gz RRDNWQCIVQFEES-UHFFFAOYSA-N 2 2 393.492 -0.273 20 0 GBADLP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659672744 1073070348 /nfs/dbraw/zinc/07/03/48/1073070348.db2.gz AWJKFSRFVKZUDP-BRWVUGGUSA-N 2 2 378.448 -0.099 20 0 GBADLP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659672744 1073070340 /nfs/dbraw/zinc/07/03/40/1073070340.db2.gz AWJKFSRFVKZUDP-BRWVUGGUSA-N 2 2 378.448 -0.099 20 0 GBADLP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659672746 1073070247 /nfs/dbraw/zinc/07/02/47/1073070247.db2.gz AWJKFSRFVKZUDP-GVDBMIGSSA-N 2 2 378.448 -0.099 20 0 GBADLP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659672746 1073070243 /nfs/dbraw/zinc/07/02/43/1073070243.db2.gz AWJKFSRFVKZUDP-GVDBMIGSSA-N 2 2 378.448 -0.099 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000659679326 1073071324 /nfs/dbraw/zinc/07/13/24/1073071324.db2.gz UQKUOTSGZLVUJH-UHFFFAOYSA-N 2 2 390.469 -0.507 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000659679326 1073071311 /nfs/dbraw/zinc/07/13/11/1073071311.db2.gz UQKUOTSGZLVUJH-UHFFFAOYSA-N 2 2 390.469 -0.507 20 0 GBADLP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H](C[NH3+])C1 ZINC000659682133 1073075956 /nfs/dbraw/zinc/07/59/56/1073075956.db2.gz TWRGYOVOWUIZIV-CVEARBPZSA-N 2 2 382.505 -0.430 20 0 GBADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659682725 1073076074 /nfs/dbraw/zinc/07/60/74/1073076074.db2.gz GZSCDLMNNBQYRS-RYUDHWBXSA-N 2 2 394.476 -0.739 20 0 GBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659682726 1073076120 /nfs/dbraw/zinc/07/61/20/1073076120.db2.gz GZSCDLMNNBQYRS-TXEJJXNPSA-N 2 2 394.476 -0.739 20 0 GBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659682726 1073076106 /nfs/dbraw/zinc/07/61/06/1073076106.db2.gz GZSCDLMNNBQYRS-TXEJJXNPSA-N 2 2 394.476 -0.739 20 0 GBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H](C)O1 ZINC000659682727 1073075980 /nfs/dbraw/zinc/07/59/80/1073075980.db2.gz GZSCDLMNNBQYRS-VXGBXAGGSA-N 2 2 394.476 -0.739 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000659682985 1073073702 /nfs/dbraw/zinc/07/37/02/1073073702.db2.gz QWSCEDYVZHVBOE-KBPBESRZSA-N 2 2 392.460 -0.983 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000659682986 1073073847 /nfs/dbraw/zinc/07/38/47/1073073847.db2.gz QWSCEDYVZHVBOE-KGLIPLIRSA-N 2 2 392.460 -0.983 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000659682987 1073073787 /nfs/dbraw/zinc/07/37/87/1073073787.db2.gz QWSCEDYVZHVBOE-UONOGXRCSA-N 2 2 392.460 -0.983 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000659682988 1073073920 /nfs/dbraw/zinc/07/39/20/1073073920.db2.gz QWSCEDYVZHVBOE-ZIAGYGMSSA-N 2 2 392.460 -0.983 20 0 GBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000659683933 1073074613 /nfs/dbraw/zinc/07/46/13/1073074613.db2.gz CUQXYJBIZHLZII-AWEZNQCLSA-N 2 2 375.473 -0.070 20 0 GBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000659683934 1073074803 /nfs/dbraw/zinc/07/48/03/1073074803.db2.gz CUQXYJBIZHLZII-CQSZACIVSA-N 2 2 375.473 -0.070 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659686236 1073074301 /nfs/dbraw/zinc/07/43/01/1073074301.db2.gz CUVPPKDCXPPWKR-HNNXBMFYSA-N 2 2 376.505 -0.096 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659686239 1073074244 /nfs/dbraw/zinc/07/42/44/1073074244.db2.gz CUVPPKDCXPPWKR-OAHLLOKOSA-N 2 2 376.505 -0.096 20 0 GBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000659686524 1073074865 /nfs/dbraw/zinc/07/48/65/1073074865.db2.gz DVYOTRMOWKTMHI-HNNXBMFYSA-N 2 2 378.473 -0.262 20 0 GBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000659686525 1073074840 /nfs/dbraw/zinc/07/48/40/1073074840.db2.gz DVYOTRMOWKTMHI-OAHLLOKOSA-N 2 2 378.473 -0.262 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659686565 1073074385 /nfs/dbraw/zinc/07/43/85/1073074385.db2.gz GSAXSNYZKVMACB-ARFHVFGLSA-N 2 2 392.479 -0.394 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659686566 1073074573 /nfs/dbraw/zinc/07/45/73/1073074573.db2.gz GSAXSNYZKVMACB-BZUAXINKSA-N 2 2 392.479 -0.394 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659686881 1073075209 /nfs/dbraw/zinc/07/52/09/1073075209.db2.gz MJRFBBMNIRDEPL-LSWWBPAMSA-N 2 2 386.500 -0.342 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659686882 1073075624 /nfs/dbraw/zinc/07/56/24/1073075624.db2.gz MJRFBBMNIRDEPL-SHPPYHEDSA-N 2 2 386.500 -0.342 20 0 GBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686884 1073075259 /nfs/dbraw/zinc/07/52/59/1073075259.db2.gz MNSAPLZSMWHYRB-LSWWBPAMSA-N 2 2 386.500 -0.424 20 0 GBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686885 1073075540 /nfs/dbraw/zinc/07/55/40/1073075540.db2.gz MNSAPLZSMWHYRB-SHPPYHEDSA-N 2 2 386.500 -0.424 20 0 GBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000659686891 1073075654 /nfs/dbraw/zinc/07/56/54/1073075654.db2.gz MTRHOPQOSDWQKJ-HNNXBMFYSA-N 2 2 378.473 -0.262 20 0 GBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000659686892 1073075593 /nfs/dbraw/zinc/07/55/93/1073075593.db2.gz MTRHOPQOSDWQKJ-OAHLLOKOSA-N 2 2 378.473 -0.262 20 0 GBADLP CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000659687127 1073075755 /nfs/dbraw/zinc/07/57/55/1073075755.db2.gz RKZUGOMENFBHAE-UHFFFAOYSA-N 2 2 378.473 -0.179 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1CCO ZINC000659688979 1073076878 /nfs/dbraw/zinc/07/68/78/1073076878.db2.gz RTVSCHXPNKCFND-UHFFFAOYSA-N 2 2 396.532 -0.528 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1CCO ZINC000659688979 1073076869 /nfs/dbraw/zinc/07/68/69/1073076869.db2.gz RTVSCHXPNKCFND-UHFFFAOYSA-N 2 2 396.532 -0.528 20 0 GBADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659696857 1073077969 /nfs/dbraw/zinc/07/79/69/1073077969.db2.gz SFVVGJRHJWEWHY-UHFFFAOYSA-N 2 2 390.488 -0.568 20 0 GBADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698198 1073076375 /nfs/dbraw/zinc/07/63/75/1073076375.db2.gz APFHRJQURLRVGN-UHFFFAOYSA-N 2 2 389.475 -0.068 20 0 GBADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[C@H]1F ZINC000659698665 1073077263 /nfs/dbraw/zinc/07/72/63/1073077263.db2.gz HGHXYKQMMIBTPX-IAGOWNOFSA-N 2 2 395.454 -0.038 20 0 GBADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1F ZINC000659700036 1073079174 /nfs/dbraw/zinc/07/91/74/1073079174.db2.gz YCPGCHWKLWXETB-IAGOWNOFSA-N 2 2 377.464 -0.178 20 0 GBADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000659722968 1073082440 /nfs/dbraw/zinc/08/24/40/1073082440.db2.gz OFLWPTFTWMLFSF-HNNXBMFYSA-N 2 2 383.443 -0.371 20 0 GBADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000659722968 1073082431 /nfs/dbraw/zinc/08/24/31/1073082431.db2.gz OFLWPTFTWMLFSF-HNNXBMFYSA-N 2 2 383.443 -0.371 20 0 GBADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000659722972 1073083316 /nfs/dbraw/zinc/08/33/16/1073083316.db2.gz OFLWPTFTWMLFSF-OAHLLOKOSA-N 2 2 383.443 -0.371 20 0 GBADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000659722972 1073083304 /nfs/dbraw/zinc/08/33/04/1073083304.db2.gz OFLWPTFTWMLFSF-OAHLLOKOSA-N 2 2 383.443 -0.371 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732270 1073092589 /nfs/dbraw/zinc/09/25/89/1073092589.db2.gz LKUDODOAZMXCJW-UHFFFAOYSA-N 2 2 386.460 -0.600 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659735984 1073090005 /nfs/dbraw/zinc/09/00/05/1073090005.db2.gz XMCXCZFXGLLWSN-UHFFFAOYSA-N 2 2 381.521 -0.223 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659735984 1073090001 /nfs/dbraw/zinc/09/00/01/1073090001.db2.gz XMCXCZFXGLLWSN-UHFFFAOYSA-N 2 2 381.521 -0.223 20 0 GBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000659740313 1073092390 /nfs/dbraw/zinc/09/23/90/1073092390.db2.gz CCGMDYOUBQHDQR-CQSZACIVSA-N 2 2 388.476 -0.499 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659741732 1073099042 /nfs/dbraw/zinc/09/90/42/1073099042.db2.gz NBKHYNHKRJHCRR-MRXNPFEDSA-N 2 2 383.537 -0.121 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659741732 1073099031 /nfs/dbraw/zinc/09/90/31/1073099031.db2.gz NBKHYNHKRJHCRR-MRXNPFEDSA-N 2 2 383.537 -0.121 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744628 1073093790 /nfs/dbraw/zinc/09/37/90/1073093790.db2.gz ZGCNYENWRLWCRP-UHFFFAOYSA-N 2 2 379.505 -0.743 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744628 1073093782 /nfs/dbraw/zinc/09/37/82/1073093782.db2.gz ZGCNYENWRLWCRP-UHFFFAOYSA-N 2 2 379.505 -0.743 20 0 GBADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)c1 ZINC000659747333 1073096236 /nfs/dbraw/zinc/09/62/36/1073096236.db2.gz BTJOANPTNRMFGM-UHFFFAOYSA-N 2 2 398.467 -0.090 20 0 GBADLP C[N@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000659747557 1073094426 /nfs/dbraw/zinc/09/44/26/1073094426.db2.gz DSKHIJQTLGJMLQ-INIZCTEOSA-N 2 2 398.467 -0.358 20 0 GBADLP C[N@@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000659747557 1073094413 /nfs/dbraw/zinc/09/44/13/1073094413.db2.gz DSKHIJQTLGJMLQ-INIZCTEOSA-N 2 2 398.467 -0.358 20 0 GBADLP C[N@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](Cc2ccccc2)C1 ZINC000659747558 1073094820 /nfs/dbraw/zinc/09/48/20/1073094820.db2.gz DSKHIJQTLGJMLQ-MRXNPFEDSA-N 2 2 398.467 -0.358 20 0 GBADLP C[N@@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](Cc2ccccc2)C1 ZINC000659747558 1073094812 /nfs/dbraw/zinc/09/48/12/1073094812.db2.gz DSKHIJQTLGJMLQ-MRXNPFEDSA-N 2 2 398.467 -0.358 20 0 GBADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747583 1073095491 /nfs/dbraw/zinc/09/54/91/1073095491.db2.gz FMSDRVCULGTPKB-UHFFFAOYSA-N 2 2 398.467 -0.090 20 0 GBADLP C[N@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](c2ccccc2)C1 ZINC000659748158 1073097260 /nfs/dbraw/zinc/09/72/60/1073097260.db2.gz FLVYVJJDAQQFEO-HNNXBMFYSA-N 2 2 384.440 -0.228 20 0 GBADLP C[N@@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](c2ccccc2)C1 ZINC000659748158 1073097249 /nfs/dbraw/zinc/09/72/49/1073097249.db2.gz FLVYVJJDAQQFEO-HNNXBMFYSA-N 2 2 384.440 -0.228 20 0 GBADLP C[N@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](c2ccccc2)C1 ZINC000659748160 1073096650 /nfs/dbraw/zinc/09/66/50/1073096650.db2.gz FLVYVJJDAQQFEO-OAHLLOKOSA-N 2 2 384.440 -0.228 20 0 GBADLP C[N@@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](c2ccccc2)C1 ZINC000659748160 1073096639 /nfs/dbraw/zinc/09/66/39/1073096639.db2.gz FLVYVJJDAQQFEO-OAHLLOKOSA-N 2 2 384.440 -0.228 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000659748228 1073095080 /nfs/dbraw/zinc/09/50/80/1073095080.db2.gz QIWQAMZUXBAVHK-UHFFFAOYSA-N 2 2 384.440 -0.399 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000659748697 1073096804 /nfs/dbraw/zinc/09/68/04/1073096804.db2.gz LLBWNZCPGKIOQH-AWEZNQCLSA-N 2 2 398.467 -0.010 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000659748697 1073096790 /nfs/dbraw/zinc/09/67/90/1073096790.db2.gz LLBWNZCPGKIOQH-AWEZNQCLSA-N 2 2 398.467 -0.010 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000659748698 1073096914 /nfs/dbraw/zinc/09/69/14/1073096914.db2.gz LLBWNZCPGKIOQH-CQSZACIVSA-N 2 2 398.467 -0.010 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000659748698 1073096907 /nfs/dbraw/zinc/09/69/07/1073096907.db2.gz LLBWNZCPGKIOQH-CQSZACIVSA-N 2 2 398.467 -0.010 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000659748861 1073098669 /nfs/dbraw/zinc/09/86/69/1073098669.db2.gz NQMXUKJWSINWPL-UHFFFAOYSA-N 2 2 398.467 -0.356 20 0 GBADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748886 1073098108 /nfs/dbraw/zinc/09/81/08/1073098108.db2.gz OJLNYYFZZPNDPJ-AWEZNQCLSA-N 2 2 398.467 -0.010 20 0 GBADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748886 1073098097 /nfs/dbraw/zinc/09/80/97/1073098097.db2.gz OJLNYYFZZPNDPJ-AWEZNQCLSA-N 2 2 398.467 -0.010 20 0 GBADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748887 1073098549 /nfs/dbraw/zinc/09/85/49/1073098549.db2.gz OJLNYYFZZPNDPJ-CQSZACIVSA-N 2 2 398.467 -0.010 20 0 GBADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748887 1073098537 /nfs/dbraw/zinc/09/85/37/1073098537.db2.gz OJLNYYFZZPNDPJ-CQSZACIVSA-N 2 2 398.467 -0.010 20 0 GBADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1C ZINC000659749547 1073098799 /nfs/dbraw/zinc/09/87/99/1073098799.db2.gz YTIBNKNFFPALJL-UHFFFAOYSA-N 2 2 388.428 -0.064 20 0 GBADLP C[C@@H]1C[N@H+](CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000659837730 1073142592 /nfs/dbraw/zinc/14/25/92/1073142592.db2.gz HCTFCGQCWIMQJX-CALCHBBNSA-N 2 2 389.566 -0.795 20 0 GBADLP C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000659837730 1073142580 /nfs/dbraw/zinc/14/25/80/1073142580.db2.gz HCTFCGQCWIMQJX-CALCHBBNSA-N 2 2 389.566 -0.795 20 0 GBADLP C[C@@H]1C[NH+](CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000659837733 1073142963 /nfs/dbraw/zinc/14/29/63/1073142963.db2.gz HCTFCGQCWIMQJX-IAGOWNOFSA-N 2 2 389.566 -0.795 20 0 GBADLP C[C@H]1C[NH+](CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000659837734 1073142983 /nfs/dbraw/zinc/14/29/83/1073142983.db2.gz HCTFCGQCWIMQJX-IRXDYDNUSA-N 2 2 389.566 -0.795 20 0 GBADLP CO[C@@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000659838737 530151444 /nfs/dbraw/zinc/15/14/44/530151444.db2.gz OUFMAXACKZLKCD-CVEARBPZSA-N 2 2 376.523 -0.852 20 0 GBADLP CO[C@@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCOC1 ZINC000659838739 530151145 /nfs/dbraw/zinc/15/11/45/530151145.db2.gz OUFMAXACKZLKCD-HOTGVXAUSA-N 2 2 376.523 -0.852 20 0 GBADLP CO[C@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000659838741 530151363 /nfs/dbraw/zinc/15/13/63/530151363.db2.gz OUFMAXACKZLKCD-HZPDHXFCSA-N 2 2 376.523 -0.852 20 0 GBADLP CO[C@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCOC1 ZINC000659838743 530151166 /nfs/dbraw/zinc/15/11/66/530151166.db2.gz OUFMAXACKZLKCD-JKSUJKDBSA-N 2 2 376.523 -0.852 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1CCO ZINC000660207983 1073306798 /nfs/dbraw/zinc/30/67/98/1073306798.db2.gz MSFXCIASRUVCHN-UHFFFAOYSA-N 2 2 382.505 -0.775 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1CCO ZINC000660207983 1073306792 /nfs/dbraw/zinc/30/67/92/1073306792.db2.gz MSFXCIASRUVCHN-UHFFFAOYSA-N 2 2 382.505 -0.775 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000660270952 1073315481 /nfs/dbraw/zinc/31/54/81/1073315481.db2.gz UTWAKUSUAVFYIH-CVEARBPZSA-N 2 2 379.505 -0.696 20 0 GBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000660270952 1073315477 /nfs/dbraw/zinc/31/54/77/1073315477.db2.gz UTWAKUSUAVFYIH-CVEARBPZSA-N 2 2 379.505 -0.696 20 0 GBADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660342467 1073321763 /nfs/dbraw/zinc/32/17/63/1073321763.db2.gz CXCPYTORALJBJG-MRXNPFEDSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660342467 1073321755 /nfs/dbraw/zinc/32/17/55/1073321755.db2.gz CXCPYTORALJBJG-MRXNPFEDSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660342467 1073321749 /nfs/dbraw/zinc/32/17/49/1073321749.db2.gz CXCPYTORALJBJG-MRXNPFEDSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660342467 1073321741 /nfs/dbraw/zinc/32/17/41/1073321741.db2.gz CXCPYTORALJBJG-MRXNPFEDSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660353431 1073324888 /nfs/dbraw/zinc/32/48/88/1073324888.db2.gz CXCPYTORALJBJG-INIZCTEOSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660353431 1073324883 /nfs/dbraw/zinc/32/48/83/1073324883.db2.gz CXCPYTORALJBJG-INIZCTEOSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660353431 1073324878 /nfs/dbraw/zinc/32/48/78/1073324878.db2.gz CXCPYTORALJBJG-INIZCTEOSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000660353431 1073324875 /nfs/dbraw/zinc/32/48/75/1073324875.db2.gz CXCPYTORALJBJG-INIZCTEOSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1S(C)(=O)=O ZINC000660713556 1073384464 /nfs/dbraw/zinc/38/44/64/1073384464.db2.gz TXDOLNGMBSEHEK-CABCVRRESA-N 2 2 387.550 -0.170 20 0 GBADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1S(C)(=O)=O ZINC000660713556 1073384460 /nfs/dbraw/zinc/38/44/60/1073384460.db2.gz TXDOLNGMBSEHEK-CABCVRRESA-N 2 2 387.550 -0.170 20 0 GBADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN1S(C)(=O)=O ZINC000660713557 1073384294 /nfs/dbraw/zinc/38/42/94/1073384294.db2.gz TXDOLNGMBSEHEK-HUUCEWRRSA-N 2 2 387.550 -0.170 20 0 GBADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN1S(C)(=O)=O ZINC000660713557 1073384279 /nfs/dbraw/zinc/38/42/79/1073384279.db2.gz TXDOLNGMBSEHEK-HUUCEWRRSA-N 2 2 387.550 -0.170 20 0 GBADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000660743958 1073386459 /nfs/dbraw/zinc/38/64/59/1073386459.db2.gz HPTGHTHKQWCBPH-UHFFFAOYSA-N 2 2 398.548 -0.282 20 0 GBADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000660743958 1073386454 /nfs/dbraw/zinc/38/64/54/1073386454.db2.gz HPTGHTHKQWCBPH-UHFFFAOYSA-N 2 2 398.548 -0.282 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000660790743 1073388615 /nfs/dbraw/zinc/38/86/15/1073388615.db2.gz DQMCWWLIHXJTGO-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000660790743 1073388607 /nfs/dbraw/zinc/38/86/07/1073388607.db2.gz DQMCWWLIHXJTGO-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000660790743 1073388600 /nfs/dbraw/zinc/38/86/00/1073388600.db2.gz DQMCWWLIHXJTGO-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000660790743 1073388595 /nfs/dbraw/zinc/38/85/95/1073388595.db2.gz DQMCWWLIHXJTGO-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000660790745 1073388441 /nfs/dbraw/zinc/38/84/41/1073388441.db2.gz DQMCWWLIHXJTGO-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000660790745 1073388435 /nfs/dbraw/zinc/38/84/35/1073388435.db2.gz DQMCWWLIHXJTGO-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000660790745 1073388428 /nfs/dbraw/zinc/38/84/28/1073388428.db2.gz DQMCWWLIHXJTGO-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000660790745 1073388423 /nfs/dbraw/zinc/38/84/23/1073388423.db2.gz DQMCWWLIHXJTGO-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660863908 1073391898 /nfs/dbraw/zinc/39/18/98/1073391898.db2.gz KECHQRUFTJGBDH-MSOLQXFVSA-N 2 2 381.521 -0.491 20 0 GBADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660863908 1073391893 /nfs/dbraw/zinc/39/18/93/1073391893.db2.gz KECHQRUFTJGBDH-MSOLQXFVSA-N 2 2 381.521 -0.491 20 0 GBADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660863909 1073391667 /nfs/dbraw/zinc/39/16/67/1073391667.db2.gz KECHQRUFTJGBDH-QZTJIDSGSA-N 2 2 381.521 -0.491 20 0 GBADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660863909 1073391660 /nfs/dbraw/zinc/39/16/60/1073391660.db2.gz KECHQRUFTJGBDH-QZTJIDSGSA-N 2 2 381.521 -0.491 20 0 GBADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660863911 1073392119 /nfs/dbraw/zinc/39/21/19/1073392119.db2.gz KECHQRUFTJGBDH-ROUUACIJSA-N 2 2 381.521 -0.491 20 0 GBADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660863911 1073392112 /nfs/dbraw/zinc/39/21/12/1073392112.db2.gz KECHQRUFTJGBDH-ROUUACIJSA-N 2 2 381.521 -0.491 20 0 GBADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660863912 1073392166 /nfs/dbraw/zinc/39/21/66/1073392166.db2.gz KECHQRUFTJGBDH-ZWKOTPCHSA-N 2 2 381.521 -0.491 20 0 GBADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660863912 1073392160 /nfs/dbraw/zinc/39/21/60/1073392160.db2.gz KECHQRUFTJGBDH-ZWKOTPCHSA-N 2 2 381.521 -0.491 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1CCO ZINC000660900206 1073393428 /nfs/dbraw/zinc/39/34/28/1073393428.db2.gz FNRPKOQYHJIJEK-INIZCTEOSA-N 2 2 382.505 -0.918 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1CCO ZINC000660900206 1073393418 /nfs/dbraw/zinc/39/34/18/1073393418.db2.gz FNRPKOQYHJIJEK-INIZCTEOSA-N 2 2 382.505 -0.918 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1CCO ZINC000660900207 1073393862 /nfs/dbraw/zinc/39/38/62/1073393862.db2.gz FNRPKOQYHJIJEK-MRXNPFEDSA-N 2 2 382.505 -0.918 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1CCO ZINC000660900207 1073393855 /nfs/dbraw/zinc/39/38/55/1073393855.db2.gz FNRPKOQYHJIJEK-MRXNPFEDSA-N 2 2 382.505 -0.918 20 0 GBADLP CN(C(=O)C(=O)N1CCNC(=O)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065954 1073405075 /nfs/dbraw/zinc/40/50/75/1073405075.db2.gz PEBPSVVMEBZWNQ-DLBZAZTESA-N 2 2 393.532 -0.260 20 0 GBADLP CN(C(=O)C(=O)N1CCNC(=O)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065954 1073405068 /nfs/dbraw/zinc/40/50/68/1073405068.db2.gz PEBPSVVMEBZWNQ-DLBZAZTESA-N 2 2 393.532 -0.260 20 0 GBADLP CN(C(=O)C(=O)N1CCNC(=O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065957 1073405211 /nfs/dbraw/zinc/40/52/11/1073405211.db2.gz PEBPSVVMEBZWNQ-IAGOWNOFSA-N 2 2 393.532 -0.260 20 0 GBADLP CN(C(=O)C(=O)N1CCNC(=O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065957 1073405207 /nfs/dbraw/zinc/40/52/07/1073405207.db2.gz PEBPSVVMEBZWNQ-IAGOWNOFSA-N 2 2 393.532 -0.260 20 0 GBADLP CN(C(=O)C(=O)N1CCNC(=O)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065959 1073405286 /nfs/dbraw/zinc/40/52/86/1073405286.db2.gz PEBPSVVMEBZWNQ-IRXDYDNUSA-N 2 2 393.532 -0.260 20 0 GBADLP CN(C(=O)C(=O)N1CCNC(=O)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065959 1073405285 /nfs/dbraw/zinc/40/52/85/1073405285.db2.gz PEBPSVVMEBZWNQ-IRXDYDNUSA-N 2 2 393.532 -0.260 20 0 GBADLP CN(C(=O)C(=O)N1CCNC(=O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661065962 1073405129 /nfs/dbraw/zinc/40/51/29/1073405129.db2.gz PEBPSVVMEBZWNQ-SJORKVTESA-N 2 2 393.532 -0.260 20 0 GBADLP CN(C(=O)C(=O)N1CCNC(=O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000661065962 1073405127 /nfs/dbraw/zinc/40/51/27/1073405127.db2.gz PEBPSVVMEBZWNQ-SJORKVTESA-N 2 2 393.532 -0.260 20 0 GBADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CCOC ZINC000661213461 1073420776 /nfs/dbraw/zinc/42/07/76/1073420776.db2.gz DFEZLURJCKEBNK-KRWDZBQOSA-N 2 2 398.548 -0.139 20 0 GBADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCOC ZINC000661213461 1073420770 /nfs/dbraw/zinc/42/07/70/1073420770.db2.gz DFEZLURJCKEBNK-KRWDZBQOSA-N 2 2 398.548 -0.139 20 0 GBADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@H+]1CCOC ZINC000661213461 1073420763 /nfs/dbraw/zinc/42/07/63/1073420763.db2.gz DFEZLURJCKEBNK-KRWDZBQOSA-N 2 2 398.548 -0.139 20 0 GBADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@@H+]1CCOC ZINC000661213461 1073420758 /nfs/dbraw/zinc/42/07/58/1073420758.db2.gz DFEZLURJCKEBNK-KRWDZBQOSA-N 2 2 398.548 -0.139 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CCOC ZINC000661213463 1073420698 /nfs/dbraw/zinc/42/06/98/1073420698.db2.gz DFEZLURJCKEBNK-QGZVFWFLSA-N 2 2 398.548 -0.139 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCOC ZINC000661213463 1073420695 /nfs/dbraw/zinc/42/06/95/1073420695.db2.gz DFEZLURJCKEBNK-QGZVFWFLSA-N 2 2 398.548 -0.139 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@H+]1CCOC ZINC000661213463 1073420691 /nfs/dbraw/zinc/42/06/91/1073420691.db2.gz DFEZLURJCKEBNK-QGZVFWFLSA-N 2 2 398.548 -0.139 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC[N@@H+]1CCOC ZINC000661213463 1073420687 /nfs/dbraw/zinc/42/06/87/1073420687.db2.gz DFEZLURJCKEBNK-QGZVFWFLSA-N 2 2 398.548 -0.139 20 0 GBADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000661271937 1073424373 /nfs/dbraw/zinc/42/43/73/1073424373.db2.gz OZXHXBKXJQGNJW-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000661271937 1073424359 /nfs/dbraw/zinc/42/43/59/1073424359.db2.gz OZXHXBKXJQGNJW-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000661271937 1073424351 /nfs/dbraw/zinc/42/43/51/1073424351.db2.gz OZXHXBKXJQGNJW-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000661271937 1073424341 /nfs/dbraw/zinc/42/43/41/1073424341.db2.gz OZXHXBKXJQGNJW-HNNXBMFYSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000661271942 1073424303 /nfs/dbraw/zinc/42/43/03/1073424303.db2.gz OZXHXBKXJQGNJW-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000661271942 1073424298 /nfs/dbraw/zinc/42/42/98/1073424298.db2.gz OZXHXBKXJQGNJW-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000661271942 1073424289 /nfs/dbraw/zinc/42/42/89/1073424289.db2.gz OZXHXBKXJQGNJW-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000661271942 1073424274 /nfs/dbraw/zinc/42/42/74/1073424274.db2.gz OZXHXBKXJQGNJW-OAHLLOKOSA-N 2 2 384.521 -0.795 20 0 GBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661277142 1073426000 /nfs/dbraw/zinc/42/60/00/1073426000.db2.gz GKCHLZZWDDTKBI-DLBZAZTESA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661277142 1073425993 /nfs/dbraw/zinc/42/59/93/1073425993.db2.gz GKCHLZZWDDTKBI-DLBZAZTESA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661277143 1073425667 /nfs/dbraw/zinc/42/56/67/1073425667.db2.gz GKCHLZZWDDTKBI-IAGOWNOFSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661277143 1073425658 /nfs/dbraw/zinc/42/56/58/1073425658.db2.gz GKCHLZZWDDTKBI-IAGOWNOFSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661277144 1073425945 /nfs/dbraw/zinc/42/59/45/1073425945.db2.gz GKCHLZZWDDTKBI-IRXDYDNUSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661277144 1073425936 /nfs/dbraw/zinc/42/59/36/1073425936.db2.gz GKCHLZZWDDTKBI-IRXDYDNUSA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661277145 1073425717 /nfs/dbraw/zinc/42/57/17/1073425717.db2.gz GKCHLZZWDDTKBI-SJORKVTESA-N 2 2 396.532 -0.387 20 0 GBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661277145 1073425705 /nfs/dbraw/zinc/42/57/05/1073425705.db2.gz GKCHLZZWDDTKBI-SJORKVTESA-N 2 2 396.532 -0.387 20 0 GBADLP C[NH+]1CCC(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)(N2CCOCC2)CC1 ZINC000661312765 1073427167 /nfs/dbraw/zinc/42/71/67/1073427167.db2.gz RGOMZYCEDNJKMT-GOSISDBHSA-N 2 2 395.548 -0.101 20 0 GBADLP C[NH+]1CCC(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)(N2CCOCC2)CC1 ZINC000661312769 1073427291 /nfs/dbraw/zinc/42/72/91/1073427291.db2.gz RGOMZYCEDNJKMT-SFHVURJKSA-N 2 2 395.548 -0.101 20 0 GBADLP NC(=O)C1([NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOCC1 ZINC000661594050 1073456609 /nfs/dbraw/zinc/45/66/09/1073456609.db2.gz GNYCLFAUICJYFB-UHFFFAOYSA-N 2 2 382.505 -0.238 20 0 GBADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)[C@H]1O ZINC000661624636 1073464074 /nfs/dbraw/zinc/46/40/74/1073464074.db2.gz VOXSNTAFXYDKAK-HALDLXJZSA-N 2 2 387.488 -0.039 20 0 GBADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)[C@H]1O ZINC000661624636 1073464066 /nfs/dbraw/zinc/46/40/66/1073464066.db2.gz VOXSNTAFXYDKAK-HALDLXJZSA-N 2 2 387.488 -0.039 20 0 GBADLP C[C@H]1C[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)C1O ZINC000661624643 1073464257 /nfs/dbraw/zinc/46/42/57/1073464257.db2.gz VOXSNTAFXYDKAK-KBPBESRZSA-N 2 2 387.488 -0.039 20 0 GBADLP C[C@@H]1C[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H](C)C1O ZINC000661624646 1073464240 /nfs/dbraw/zinc/46/42/40/1073464240.db2.gz VOXSNTAFXYDKAK-ZIAGYGMSSA-N 2 2 387.488 -0.039 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@H+]1CCO ZINC000661659401 1073468988 /nfs/dbraw/zinc/46/89/88/1073468988.db2.gz VGXKLIZAZKPZEL-KRWDZBQOSA-N 2 2 396.532 -0.528 20 0 GBADLP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1CCO ZINC000661659401 1073468984 /nfs/dbraw/zinc/46/89/84/1073468984.db2.gz VGXKLIZAZKPZEL-KRWDZBQOSA-N 2 2 396.532 -0.528 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000661704574 1073476512 /nfs/dbraw/zinc/47/65/12/1073476512.db2.gz JFNDBSSPOTUGQR-AUUYWEPGSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000661704575 1073476929 /nfs/dbraw/zinc/47/69/29/1073476929.db2.gz JFNDBSSPOTUGQR-IFXJQAMLSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000661704579 1073476560 /nfs/dbraw/zinc/47/65/60/1073476560.db2.gz JFNDBSSPOTUGQR-KUHUBIRLSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000661704580 1073477106 /nfs/dbraw/zinc/47/71/06/1073477106.db2.gz JFNDBSSPOTUGQR-LIRRHRJNSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000661831148 1073497055 /nfs/dbraw/zinc/49/70/55/1073497055.db2.gz RIVKTSWJJCCFEI-CABCVRRESA-N 2 2 385.472 -0.095 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000661831149 1073496662 /nfs/dbraw/zinc/49/66/62/1073496662.db2.gz RIVKTSWJJCCFEI-GJZGRUSLSA-N 2 2 385.472 -0.095 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000661831150 1073496899 /nfs/dbraw/zinc/49/68/99/1073496899.db2.gz RIVKTSWJJCCFEI-HUUCEWRRSA-N 2 2 385.472 -0.095 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000661831151 1073497153 /nfs/dbraw/zinc/49/71/53/1073497153.db2.gz RIVKTSWJJCCFEI-LSDHHAIUSA-N 2 2 385.472 -0.095 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000662038244 1073517649 /nfs/dbraw/zinc/51/76/49/1073517649.db2.gz YMULAHIEBBGNDQ-CABCVRRESA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000662038244 1073517640 /nfs/dbraw/zinc/51/76/40/1073517640.db2.gz YMULAHIEBBGNDQ-CABCVRRESA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000662038247 1073518126 /nfs/dbraw/zinc/51/81/26/1073518126.db2.gz YMULAHIEBBGNDQ-GJZGRUSLSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000662038247 1073518112 /nfs/dbraw/zinc/51/81/12/1073518112.db2.gz YMULAHIEBBGNDQ-GJZGRUSLSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000662038253 1073518188 /nfs/dbraw/zinc/51/81/88/1073518188.db2.gz YMULAHIEBBGNDQ-HUUCEWRRSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000662038253 1073518175 /nfs/dbraw/zinc/51/81/75/1073518175.db2.gz YMULAHIEBBGNDQ-HUUCEWRRSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000662038257 1073518238 /nfs/dbraw/zinc/51/82/38/1073518238.db2.gz YMULAHIEBBGNDQ-LSDHHAIUSA-N 2 2 385.472 -0.020 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000662038257 1073518228 /nfs/dbraw/zinc/51/82/28/1073518228.db2.gz YMULAHIEBBGNDQ-LSDHHAIUSA-N 2 2 385.472 -0.020 20 0 GBADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@]1(C)CO ZINC000662146809 1073539101 /nfs/dbraw/zinc/53/91/01/1073539101.db2.gz SWKBMDIDMMGKDG-AUUYWEPGSA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@]1(C)CO ZINC000662146810 1073539015 /nfs/dbraw/zinc/53/90/15/1073539015.db2.gz SWKBMDIDMMGKDG-IFXJQAMLSA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@]1(C)CO ZINC000662146817 1073538092 /nfs/dbraw/zinc/53/80/92/1073538092.db2.gz SWKBMDIDMMGKDG-KUHUBIRLSA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@]1(C)CO ZINC000662146819 1073538632 /nfs/dbraw/zinc/53/86/32/1073538632.db2.gz SWKBMDIDMMGKDG-LIRRHRJNSA-N 2 2 387.488 -0.038 20 0 GBADLP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([N@H+]3CC[C@H](O)C3)CC1)c(=O)n2C ZINC000662152241 1073540391 /nfs/dbraw/zinc/54/03/91/1073540391.db2.gz AODCJNSIUALZTP-HNNXBMFYSA-N 2 2 390.488 -0.645 20 0 GBADLP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([N@@H+]3CC[C@H](O)C3)CC1)c(=O)n2C ZINC000662152241 1073540379 /nfs/dbraw/zinc/54/03/79/1073540379.db2.gz AODCJNSIUALZTP-HNNXBMFYSA-N 2 2 390.488 -0.645 20 0 GBADLP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([N@H+]3CC[C@@H](O)C3)CC1)c(=O)n2C ZINC000662152242 1073539668 /nfs/dbraw/zinc/53/96/68/1073539668.db2.gz AODCJNSIUALZTP-OAHLLOKOSA-N 2 2 390.488 -0.645 20 0 GBADLP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([N@@H+]3CC[C@@H](O)C3)CC1)c(=O)n2C ZINC000662152242 1073539656 /nfs/dbraw/zinc/53/96/56/1073539656.db2.gz AODCJNSIUALZTP-OAHLLOKOSA-N 2 2 390.488 -0.645 20 0 GBADLP NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662248654 1073553113 /nfs/dbraw/zinc/55/31/13/1073553113.db2.gz ITJTXWYSFVJYBE-HNNXBMFYSA-N 2 2 382.486 -0.027 20 0 GBADLP NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662248655 1073552535 /nfs/dbraw/zinc/55/25/35/1073552535.db2.gz ITJTXWYSFVJYBE-OAHLLOKOSA-N 2 2 382.486 -0.027 20 0 GBADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000662285548 1073556708 /nfs/dbraw/zinc/55/67/08/1073556708.db2.gz DASAFMCNXDEWCJ-UHFFFAOYSA-N 2 2 396.513 -0.776 20 0 GBADLP O=C(CNC1(CO)CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000662287002 1073556098 /nfs/dbraw/zinc/55/60/98/1073556098.db2.gz PEOHUNXMQCWYNW-UHFFFAOYSA-N 2 2 376.501 -0.161 20 0 GBADLP O=C(CNC1(CO)CC[NH2+]CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000662287043 1073556129 /nfs/dbraw/zinc/55/61/29/1073556129.db2.gz QREPAQNSZCPHSO-UHFFFAOYSA-N 2 2 388.512 -0.030 20 0 GBADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000662287043 1073556119 /nfs/dbraw/zinc/55/61/19/1073556119.db2.gz QREPAQNSZCPHSO-UHFFFAOYSA-N 2 2 388.512 -0.030 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)S(C)(=O)=O ZINC000662318932 530156578 /nfs/dbraw/zinc/15/65/78/530156578.db2.gz BLTFYCNZDOPZFS-HNNXBMFYSA-N 2 2 378.539 -0.573 20 0 GBADLP CN(CCCNC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)S(C)(=O)=O ZINC000662318932 530156575 /nfs/dbraw/zinc/15/65/75/530156575.db2.gz BLTFYCNZDOPZFS-HNNXBMFYSA-N 2 2 378.539 -0.573 20 0 GBADLP CN(CCCNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)S(C)(=O)=O ZINC000662318933 530156260 /nfs/dbraw/zinc/15/62/60/530156260.db2.gz BLTFYCNZDOPZFS-OAHLLOKOSA-N 2 2 378.539 -0.573 20 0 GBADLP CN(CCCNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)S(C)(=O)=O ZINC000662318933 530156259 /nfs/dbraw/zinc/15/62/59/530156259.db2.gz BLTFYCNZDOPZFS-OAHLLOKOSA-N 2 2 378.539 -0.573 20 0 GBADLP Cn1c2ncn(CC[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000662320167 1073560828 /nfs/dbraw/zinc/56/08/28/1073560828.db2.gz FRPTZKUREBXUQM-AWEZNQCLSA-N 2 2 378.477 -0.524 20 0 GBADLP Cn1c2ncn(CC[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000662320167 1073560821 /nfs/dbraw/zinc/56/08/21/1073560821.db2.gz FRPTZKUREBXUQM-AWEZNQCLSA-N 2 2 378.477 -0.524 20 0 GBADLP Cn1c2ncn(CC[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000662320171 1073560504 /nfs/dbraw/zinc/56/05/04/1073560504.db2.gz FRPTZKUREBXUQM-CQSZACIVSA-N 2 2 378.477 -0.524 20 0 GBADLP Cn1c2ncn(CC[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000662320171 1073560494 /nfs/dbraw/zinc/56/04/94/1073560494.db2.gz FRPTZKUREBXUQM-CQSZACIVSA-N 2 2 378.477 -0.524 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662322346 1073560873 /nfs/dbraw/zinc/56/08/73/1073560873.db2.gz GXBFHAWEANHLFR-ZIAGYGMSSA-N 2 2 376.440 -0.617 20 0 GBADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335837 1073560917 /nfs/dbraw/zinc/56/09/17/1073560917.db2.gz AJJCZBCINFLTLL-CABCVRRESA-N 2 2 391.520 -0.408 20 0 GBADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335837 1073560909 /nfs/dbraw/zinc/56/09/09/1073560909.db2.gz AJJCZBCINFLTLL-CABCVRRESA-N 2 2 391.520 -0.408 20 0 GBADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335840 1073561170 /nfs/dbraw/zinc/56/11/70/1073561170.db2.gz AJJCZBCINFLTLL-GJZGRUSLSA-N 2 2 391.520 -0.408 20 0 GBADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335840 1073561163 /nfs/dbraw/zinc/56/11/63/1073561163.db2.gz AJJCZBCINFLTLL-GJZGRUSLSA-N 2 2 391.520 -0.408 20 0 GBADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335844 1073560322 /nfs/dbraw/zinc/56/03/22/1073560322.db2.gz AJJCZBCINFLTLL-HUUCEWRRSA-N 2 2 391.520 -0.408 20 0 GBADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335844 1073560319 /nfs/dbraw/zinc/56/03/19/1073560319.db2.gz AJJCZBCINFLTLL-HUUCEWRRSA-N 2 2 391.520 -0.408 20 0 GBADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335847 1073560673 /nfs/dbraw/zinc/56/06/73/1073560673.db2.gz AJJCZBCINFLTLL-LSDHHAIUSA-N 2 2 391.520 -0.408 20 0 GBADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335847 1073560660 /nfs/dbraw/zinc/56/06/60/1073560660.db2.gz AJJCZBCINFLTLL-LSDHHAIUSA-N 2 2 391.520 -0.408 20 0 GBADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000662382783 1073563269 /nfs/dbraw/zinc/56/32/69/1073563269.db2.gz BGPMBJPDSUOGAV-INIZCTEOSA-N 2 2 389.566 -0.366 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662463977 1073568514 /nfs/dbraw/zinc/56/85/14/1073568514.db2.gz AVHAGQHPBCANEV-HNNXBMFYSA-N 2 2 391.472 -0.196 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662463979 1073568964 /nfs/dbraw/zinc/56/89/64/1073568964.db2.gz AVHAGQHPBCANEV-OAHLLOKOSA-N 2 2 391.472 -0.196 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662466443 1073568581 /nfs/dbraw/zinc/56/85/81/1073568581.db2.gz XXQFBNHECGPOCJ-KBPBESRZSA-N 2 2 376.461 -0.851 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662466444 1073568744 /nfs/dbraw/zinc/56/87/44/1073568744.db2.gz XXQFBNHECGPOCJ-KGLIPLIRSA-N 2 2 376.461 -0.851 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662466445 1073568540 /nfs/dbraw/zinc/56/85/40/1073568540.db2.gz XXQFBNHECGPOCJ-UONOGXRCSA-N 2 2 376.461 -0.851 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662466446 1073568599 /nfs/dbraw/zinc/56/85/99/1073568599.db2.gz XXQFBNHECGPOCJ-ZIAGYGMSSA-N 2 2 376.461 -0.851 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662681303 1073581623 /nfs/dbraw/zinc/58/16/23/1073581623.db2.gz FBBCELWQFBSRSJ-CABCVRRESA-N 2 2 397.501 -0.987 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662681306 1073581732 /nfs/dbraw/zinc/58/17/32/1073581732.db2.gz FBBCELWQFBSRSJ-GJZGRUSLSA-N 2 2 397.501 -0.987 20 0 GBADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662681308 1073582050 /nfs/dbraw/zinc/58/20/50/1073582050.db2.gz FBBCELWQFBSRSJ-HUUCEWRRSA-N 2 2 397.501 -0.987 20 0 GBADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662681310 1073581648 /nfs/dbraw/zinc/58/16/48/1073581648.db2.gz FBBCELWQFBSRSJ-LSDHHAIUSA-N 2 2 397.501 -0.987 20 0 GBADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3(O)C[NH2+]C3)cc2)CC1 ZINC000662709821 1073408902 /nfs/dbraw/zinc/40/89/02/1073408902.db2.gz CTOPHLVREPQJTN-UHFFFAOYSA-N 2 2 390.484 -0.778 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662737343 1073418484 /nfs/dbraw/zinc/41/84/84/1073418484.db2.gz ODHIBJLFYLHZGW-DOMZBBRYSA-N 2 2 378.395 -0.422 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662737344 1073418514 /nfs/dbraw/zinc/41/85/14/1073418514.db2.gz ODHIBJLFYLHZGW-IUODEOHRSA-N 2 2 378.395 -0.422 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662737345 1073418828 /nfs/dbraw/zinc/41/88/28/1073418828.db2.gz ODHIBJLFYLHZGW-SWLSCSKDSA-N 2 2 378.395 -0.422 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662737346 1073418440 /nfs/dbraw/zinc/41/84/40/1073418440.db2.gz ODHIBJLFYLHZGW-WFASDCNBSA-N 2 2 378.395 -0.422 20 0 GBADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000662751892 1073422267 /nfs/dbraw/zinc/42/22/67/1073422267.db2.gz VUNSJNQBUDNOCQ-UHFFFAOYSA-N 2 2 399.455 -0.219 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662790558 1073428170 /nfs/dbraw/zinc/42/81/70/1073428170.db2.gz PJLZODYQJHOKFY-JYJNAYRXSA-N 2 2 390.488 -0.238 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662790558 1073428167 /nfs/dbraw/zinc/42/81/67/1073428167.db2.gz PJLZODYQJHOKFY-JYJNAYRXSA-N 2 2 390.488 -0.238 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662790560 1073427961 /nfs/dbraw/zinc/42/79/61/1073427961.db2.gz PJLZODYQJHOKFY-OAGGEKHMSA-N 2 2 390.488 -0.238 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662790560 1073427957 /nfs/dbraw/zinc/42/79/57/1073427957.db2.gz PJLZODYQJHOKFY-OAGGEKHMSA-N 2 2 390.488 -0.238 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662790561 1073427896 /nfs/dbraw/zinc/42/78/96/1073427896.db2.gz PJLZODYQJHOKFY-PMPSAXMXSA-N 2 2 390.488 -0.238 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662790561 1073427893 /nfs/dbraw/zinc/42/78/93/1073427893.db2.gz PJLZODYQJHOKFY-PMPSAXMXSA-N 2 2 390.488 -0.238 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662790562 1073428221 /nfs/dbraw/zinc/42/82/21/1073428221.db2.gz PJLZODYQJHOKFY-XHSDSOJGSA-N 2 2 390.488 -0.238 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662790562 1073428217 /nfs/dbraw/zinc/42/82/17/1073428217.db2.gz PJLZODYQJHOKFY-XHSDSOJGSA-N 2 2 390.488 -0.238 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662790742 1073427775 /nfs/dbraw/zinc/42/77/75/1073427775.db2.gz DZZICSMGYJNIER-CABCVRRESA-N 2 2 376.461 -0.674 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662790742 1073427768 /nfs/dbraw/zinc/42/77/68/1073427768.db2.gz DZZICSMGYJNIER-CABCVRRESA-N 2 2 376.461 -0.674 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662790743 1073428235 /nfs/dbraw/zinc/42/82/35/1073428235.db2.gz DZZICSMGYJNIER-GJZGRUSLSA-N 2 2 376.461 -0.674 20 0 GBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662790743 1073428231 /nfs/dbraw/zinc/42/82/31/1073428231.db2.gz DZZICSMGYJNIER-GJZGRUSLSA-N 2 2 376.461 -0.674 20 0 GBADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662790744 1073428132 /nfs/dbraw/zinc/42/81/32/1073428132.db2.gz DZZICSMGYJNIER-HUUCEWRRSA-N 2 2 376.461 -0.674 20 0 GBADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662790744 1073428128 /nfs/dbraw/zinc/42/81/28/1073428128.db2.gz DZZICSMGYJNIER-HUUCEWRRSA-N 2 2 376.461 -0.674 20 0 GBADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662790745 1073428190 /nfs/dbraw/zinc/42/81/90/1073428190.db2.gz DZZICSMGYJNIER-LSDHHAIUSA-N 2 2 376.461 -0.674 20 0 GBADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662790745 1073428185 /nfs/dbraw/zinc/42/81/85/1073428185.db2.gz DZZICSMGYJNIER-LSDHHAIUSA-N 2 2 376.461 -0.674 20 0 GBADLP CN(C(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662791203 1073427799 /nfs/dbraw/zinc/42/77/99/1073427799.db2.gz OOGYSNDJQKETHQ-DLBZAZTESA-N 3 2 381.521 -0.953 20 0 GBADLP CN(C(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662791204 1073427949 /nfs/dbraw/zinc/42/79/49/1073427949.db2.gz OOGYSNDJQKETHQ-IAGOWNOFSA-N 3 2 381.521 -0.953 20 0 GBADLP CN(C(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662791205 1073428336 /nfs/dbraw/zinc/42/83/36/1073428336.db2.gz OOGYSNDJQKETHQ-IRXDYDNUSA-N 3 2 381.521 -0.953 20 0 GBADLP CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662791206 1073428316 /nfs/dbraw/zinc/42/83/16/1073428316.db2.gz OOGYSNDJQKETHQ-SJORKVTESA-N 3 2 381.521 -0.953 20 0 GBADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791938 1073428002 /nfs/dbraw/zinc/42/80/02/1073428002.db2.gz TZQWWWGPQQOKTM-KRWDZBQOSA-N 2 2 383.537 -0.565 20 0 GBADLP Cc1c(C[NH3+])c(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1C ZINC000662835779 1073433888 /nfs/dbraw/zinc/43/38/88/1073433888.db2.gz OLGPGFIMKXUNCC-HNNXBMFYSA-N 2 2 378.477 -0.161 20 0 GBADLP Cc1c(C[NH3+])c(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)nn1C ZINC000662835780 1073434189 /nfs/dbraw/zinc/43/41/89/1073434189.db2.gz OLGPGFIMKXUNCC-OAHLLOKOSA-N 2 2 378.477 -0.161 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662921529 1073471691 /nfs/dbraw/zinc/47/16/91/1073471691.db2.gz CRKIOTACLOOTSR-UHFFFAOYSA-N 2 2 379.505 -0.661 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662921529 1073471688 /nfs/dbraw/zinc/47/16/88/1073471688.db2.gz CRKIOTACLOOTSR-UHFFFAOYSA-N 2 2 379.505 -0.661 20 0 GBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662921861 1073469582 /nfs/dbraw/zinc/46/95/82/1073469582.db2.gz GABBZCBBUGSJEC-HUUCEWRRSA-N 2 2 385.484 -0.713 20 0 GBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662921861 1073469570 /nfs/dbraw/zinc/46/95/70/1073469570.db2.gz GABBZCBBUGSJEC-HUUCEWRRSA-N 2 2 385.484 -0.713 20 0 GBADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[C@H]1F ZINC000662929069 1073472410 /nfs/dbraw/zinc/47/24/10/1073472410.db2.gz YJPNPUBZQHHBEZ-CHWSQXEVSA-N 2 2 398.401 -0.003 20 0 GBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662997557 1073493161 /nfs/dbraw/zinc/49/31/61/1073493161.db2.gz XRMMDMMWYZAZLM-HNNXBMFYSA-N 2 2 389.504 -0.701 20 0 GBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662997559 1073493201 /nfs/dbraw/zinc/49/32/01/1073493201.db2.gz XRMMDMMWYZAZLM-OAHLLOKOSA-N 2 2 389.504 -0.701 20 0 GBADLP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000663539575 1073609896 /nfs/dbraw/zinc/60/98/96/1073609896.db2.gz PRKLWBSSSOSPBP-CABCVRRESA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000663539576 1073609737 /nfs/dbraw/zinc/60/97/37/1073609737.db2.gz PRKLWBSSSOSPBP-GJZGRUSLSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000663539578 1073609978 /nfs/dbraw/zinc/60/99/78/1073609978.db2.gz PRKLWBSSSOSPBP-HUUCEWRRSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000663539580 1073609720 /nfs/dbraw/zinc/60/97/20/1073609720.db2.gz PRKLWBSSSOSPBP-LSDHHAIUSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1c(N2CC[NH+](C[C@@H](C)O)CC2)ncnc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000663540154 1073608455 /nfs/dbraw/zinc/60/84/55/1073608455.db2.gz RYAOWAXUGYSQCL-IYBDPMFKSA-N 2 2 378.521 -0.209 20 0 GBADLP CCS(=O)(=O)N1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000663561894 530161906 /nfs/dbraw/zinc/16/19/06/530161906.db2.gz CVWBYCUQYQYXJM-UHFFFAOYSA-N 2 2 377.555 -0.017 20 0 GBADLP CCS(=O)(=O)N1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000663561894 530161905 /nfs/dbraw/zinc/16/19/05/530161905.db2.gz CVWBYCUQYQYXJM-UHFFFAOYSA-N 2 2 377.555 -0.017 20 0 GBADLP CN(c1ncnc2c1nnn2C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000663582064 1073617252 /nfs/dbraw/zinc/61/72/52/1073617252.db2.gz AGWFWBBOTQECRG-UHFFFAOYSA-N 2 2 387.492 -0.567 20 0 GBADLP C[NH+](C)[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@@H]1O ZINC000663588907 1073619448 /nfs/dbraw/zinc/61/94/48/1073619448.db2.gz OJORITLVTBKBTM-ROUUACIJSA-N 2 2 389.500 -0.110 20 0 GBADLP Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N2CC[NH+]3CCOC[C@H]3C2)c1F ZINC000663798197 1073696569 /nfs/dbraw/zinc/69/65/69/1073696569.db2.gz VZGKOJCUTBYSQD-CVEARBPZSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N2CC[NH+]3CCOC[C@H]3C2)c1F ZINC000663798197 1073696565 /nfs/dbraw/zinc/69/65/65/1073696565.db2.gz VZGKOJCUTBYSQD-CVEARBPZSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[NH+]3CCOC[C@@H]3C2)nc(N2CC[N@H+]3CCOC[C@H]3C2)c1F ZINC000663798197 1073696560 /nfs/dbraw/zinc/69/65/60/1073696560.db2.gz VZGKOJCUTBYSQD-CVEARBPZSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[NH+]3CCOC[C@@H]3C2)nc(N2CC[N@@H+]3CCOC[C@H]3C2)c1F ZINC000663798197 1073696556 /nfs/dbraw/zinc/69/65/56/1073696556.db2.gz VZGKOJCUTBYSQD-CVEARBPZSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N2CC[NH+]3CCOC[C@@H]3C2)c1F ZINC000663798198 1073696990 /nfs/dbraw/zinc/69/69/90/1073696990.db2.gz VZGKOJCUTBYSQD-HOTGVXAUSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N2CC[NH+]3CCOC[C@@H]3C2)c1F ZINC000663798198 1073696984 /nfs/dbraw/zinc/69/69/84/1073696984.db2.gz VZGKOJCUTBYSQD-HOTGVXAUSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[NH+]3CCOC[C@@H]3C2)nc(N2CC[N@H+]3CCOC[C@@H]3C2)c1F ZINC000663798198 1073696977 /nfs/dbraw/zinc/69/69/77/1073696977.db2.gz VZGKOJCUTBYSQD-HOTGVXAUSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[NH+]3CCOC[C@@H]3C2)nc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1F ZINC000663798198 1073696973 /nfs/dbraw/zinc/69/69/73/1073696973.db2.gz VZGKOJCUTBYSQD-HOTGVXAUSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N2CC[NH+]3CCOC[C@H]3C2)c1F ZINC000663798199 1073696361 /nfs/dbraw/zinc/69/63/61/1073696361.db2.gz VZGKOJCUTBYSQD-HZPDHXFCSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N2CC[NH+]3CCOC[C@H]3C2)c1F ZINC000663798199 1073696359 /nfs/dbraw/zinc/69/63/59/1073696359.db2.gz VZGKOJCUTBYSQD-HZPDHXFCSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[NH+]3CCOC[C@H]3C2)nc(N2CC[N@H+]3CCOC[C@H]3C2)c1F ZINC000663798199 1073696353 /nfs/dbraw/zinc/69/63/53/1073696353.db2.gz VZGKOJCUTBYSQD-HZPDHXFCSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[NH+]3CCOC[C@H]3C2)nc(N2CC[N@@H+]3CCOC[C@H]3C2)c1F ZINC000663798199 1073696347 /nfs/dbraw/zinc/69/63/47/1073696347.db2.gz VZGKOJCUTBYSQD-HZPDHXFCSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N2CC[NH+]3CCOC[C@@H]3C2)c1F ZINC000663798200 1073696651 /nfs/dbraw/zinc/69/66/51/1073696651.db2.gz VZGKOJCUTBYSQD-JKSUJKDBSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N2CC[NH+]3CCOC[C@@H]3C2)c1F ZINC000663798200 1073696647 /nfs/dbraw/zinc/69/66/47/1073696647.db2.gz VZGKOJCUTBYSQD-JKSUJKDBSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[NH+]3CCOC[C@H]3C2)nc(N2CC[N@H+]3CCOC[C@@H]3C2)c1F ZINC000663798200 1073696642 /nfs/dbraw/zinc/69/66/42/1073696642.db2.gz VZGKOJCUTBYSQD-JKSUJKDBSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1nc(N2CC[NH+]3CCOC[C@H]3C2)nc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1F ZINC000663798200 1073696635 /nfs/dbraw/zinc/69/66/35/1073696635.db2.gz VZGKOJCUTBYSQD-JKSUJKDBSA-N 2 2 392.479 -0.034 20 0 GBADLP Cc1c(N2CC[NH+](CCO)[C@H](C)C2)ncnc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000663822321 1073721171 /nfs/dbraw/zinc/72/11/71/1073721171.db2.gz AOFLSOVXDAELPO-IYBDPMFKSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1c(N2CC[NH+](CCO)[C@H](C)C2)ncnc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000663822321 1073721165 /nfs/dbraw/zinc/72/11/65/1073721165.db2.gz AOFLSOVXDAELPO-IYBDPMFKSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1c(N2CC[N@@H+](CCO)[C@H](C)C2)ncnc1N1CC[NH+](CCO)[C@@H](C)C1 ZINC000663822321 1073721159 /nfs/dbraw/zinc/72/11/59/1073721159.db2.gz AOFLSOVXDAELPO-IYBDPMFKSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1c(N2CC[N@H+](CCO)[C@H](C)C2)ncnc1N1CC[NH+](CCO)[C@@H](C)C1 ZINC000663822321 1073721150 /nfs/dbraw/zinc/72/11/50/1073721150.db2.gz AOFLSOVXDAELPO-IYBDPMFKSA-N 2 2 378.521 -0.209 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@@H+](CCO)[C@H](C)C2)c1F ZINC000663823504 1073722105 /nfs/dbraw/zinc/72/21/05/1073722105.db2.gz VULOFBNBNBSGGA-CABCVRRESA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@H+](CCO)[C@H](C)C2)c1F ZINC000663823504 1073722097 /nfs/dbraw/zinc/72/20/97/1073722097.db2.gz VULOFBNBNBSGGA-CABCVRRESA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(N2CC[NH+](CCO)[C@H](C)C2)c1F ZINC000663823504 1073722092 /nfs/dbraw/zinc/72/20/92/1073722092.db2.gz VULOFBNBNBSGGA-CABCVRRESA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)nc(N2CC[NH+](CCO)[C@H](C)C2)c1F ZINC000663823504 1073722085 /nfs/dbraw/zinc/72/20/85/1073722085.db2.gz VULOFBNBNBSGGA-CABCVRRESA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)c1F ZINC000663823505 1073722004 /nfs/dbraw/zinc/72/20/04/1073722004.db2.gz VULOFBNBNBSGGA-GJZGRUSLSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)c1F ZINC000663823505 1073721996 /nfs/dbraw/zinc/72/19/96/1073721996.db2.gz VULOFBNBNBSGGA-GJZGRUSLSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)c1F ZINC000663823505 1073721991 /nfs/dbraw/zinc/72/19/91/1073721991.db2.gz VULOFBNBNBSGGA-GJZGRUSLSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)c1F ZINC000663823505 1073721986 /nfs/dbraw/zinc/72/19/86/1073721986.db2.gz VULOFBNBNBSGGA-GJZGRUSLSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@H](C)C2)c1F ZINC000663823506 1073722181 /nfs/dbraw/zinc/72/21/81/1073722181.db2.gz VULOFBNBNBSGGA-HUUCEWRRSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@H](C)C2)c1F ZINC000663823506 1073722179 /nfs/dbraw/zinc/72/21/79/1073722179.db2.gz VULOFBNBNBSGGA-HUUCEWRRSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@H](C)C2)c1F ZINC000663823506 1073722172 /nfs/dbraw/zinc/72/21/72/1073722172.db2.gz VULOFBNBNBSGGA-HUUCEWRRSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@H](C)C2)c1F ZINC000663823506 1073722164 /nfs/dbraw/zinc/72/21/64/1073722164.db2.gz VULOFBNBNBSGGA-HUUCEWRRSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)c1F ZINC000663823507 1073721815 /nfs/dbraw/zinc/72/18/15/1073721815.db2.gz VULOFBNBNBSGGA-LSDHHAIUSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)c1F ZINC000663823507 1073721811 /nfs/dbraw/zinc/72/18/11/1073721811.db2.gz VULOFBNBNBSGGA-LSDHHAIUSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)c1F ZINC000663823507 1073721806 /nfs/dbraw/zinc/72/18/06/1073721806.db2.gz VULOFBNBNBSGGA-LSDHHAIUSA-N 2 2 396.511 -0.070 20 0 GBADLP Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)c1F ZINC000663823507 1073721799 /nfs/dbraw/zinc/72/17/99/1073721799.db2.gz VULOFBNBNBSGGA-LSDHHAIUSA-N 2 2 396.511 -0.070 20 0 GBADLP C[NH+](C)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1O ZINC000663878556 1073855691 /nfs/dbraw/zinc/85/56/91/1073855691.db2.gz LMERJUWEYDVWLR-HOTGVXAUSA-N 2 2 390.488 -0.563 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000663884916 530162645 /nfs/dbraw/zinc/16/26/45/530162645.db2.gz PMDIHEOJGQOJML-UHFFFAOYSA-N 2 2 377.555 -0.159 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000663884916 530162643 /nfs/dbraw/zinc/16/26/43/530162643.db2.gz PMDIHEOJGQOJML-UHFFFAOYSA-N 2 2 377.555 -0.159 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000664030462 530163394 /nfs/dbraw/zinc/16/33/94/530163394.db2.gz ISUWDBFTTGEHKW-UHFFFAOYSA-N 2 2 395.595 -0.452 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000664030462 530163393 /nfs/dbraw/zinc/16/33/93/530163393.db2.gz ISUWDBFTTGEHKW-UHFFFAOYSA-N 2 2 395.595 -0.452 20 0 GBADLP Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(N2CC([NH+]3CC[C@@H](O)C3)C2)c1F ZINC000664067827 1073904289 /nfs/dbraw/zinc/90/42/89/1073904289.db2.gz NVGAMLYMVSUVEQ-HZPDHXFCSA-N 2 2 392.479 -0.565 20 0 GBADLP Cc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(N2CC([NH+]3CC[C@@H](O)C3)C2)c1F ZINC000664067827 1073904283 /nfs/dbraw/zinc/90/42/83/1073904283.db2.gz NVGAMLYMVSUVEQ-HZPDHXFCSA-N 2 2 392.479 -0.565 20 0 GBADLP Cc1nc(N2CC([NH+]3CC[C@@H](O)C3)C2)nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1F ZINC000664067827 1073904277 /nfs/dbraw/zinc/90/42/77/1073904277.db2.gz NVGAMLYMVSUVEQ-HZPDHXFCSA-N 2 2 392.479 -0.565 20 0 GBADLP Cc1nc(N2CC([NH+]3CC[C@@H](O)C3)C2)nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1F ZINC000664067827 1073904271 /nfs/dbraw/zinc/90/42/71/1073904271.db2.gz NVGAMLYMVSUVEQ-HZPDHXFCSA-N 2 2 392.479 -0.565 20 0 GBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000664131444 1073923052 /nfs/dbraw/zinc/92/30/52/1073923052.db2.gz YBMYIBFPFDQYJO-INIZCTEOSA-N 3 2 382.553 -0.184 20 0 GBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000664131444 1073923045 /nfs/dbraw/zinc/92/30/45/1073923045.db2.gz YBMYIBFPFDQYJO-INIZCTEOSA-N 3 2 382.553 -0.184 20 0 GBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000664131448 1073923010 /nfs/dbraw/zinc/92/30/10/1073923010.db2.gz YBMYIBFPFDQYJO-MRXNPFEDSA-N 3 2 382.553 -0.184 20 0 GBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000664131448 1073923004 /nfs/dbraw/zinc/92/30/04/1073923004.db2.gz YBMYIBFPFDQYJO-MRXNPFEDSA-N 3 2 382.553 -0.184 20 0 GBADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)CO1 ZINC000664143408 1073926634 /nfs/dbraw/zinc/92/66/34/1073926634.db2.gz QNMGODXBDDCXDX-KSZLIROESA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)CO1 ZINC000664143408 1073926629 /nfs/dbraw/zinc/92/66/29/1073926629.db2.gz QNMGODXBDDCXDX-KSZLIROESA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)CO1 ZINC000664143408 1073926623 /nfs/dbraw/zinc/92/66/23/1073926623.db2.gz QNMGODXBDDCXDX-KSZLIROESA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)CO1 ZINC000664143408 1073926618 /nfs/dbraw/zinc/92/66/18/1073926618.db2.gz QNMGODXBDDCXDX-KSZLIROESA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C)CO1 ZINC000664143409 1073926667 /nfs/dbraw/zinc/92/66/67/1073926667.db2.gz QNMGODXBDDCXDX-KURKYZTESA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)CO1 ZINC000664143409 1073926664 /nfs/dbraw/zinc/92/66/64/1073926664.db2.gz QNMGODXBDDCXDX-KURKYZTESA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)CO1 ZINC000664143409 1073926660 /nfs/dbraw/zinc/92/66/60/1073926660.db2.gz QNMGODXBDDCXDX-KURKYZTESA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)CO1 ZINC000664143409 1073926654 /nfs/dbraw/zinc/92/66/54/1073926654.db2.gz QNMGODXBDDCXDX-KURKYZTESA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C)CO1 ZINC000664143410 1073926215 /nfs/dbraw/zinc/92/62/15/1073926215.db2.gz QNMGODXBDDCXDX-KZNAEPCWSA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)CO1 ZINC000664143410 1073926211 /nfs/dbraw/zinc/92/62/11/1073926211.db2.gz QNMGODXBDDCXDX-KZNAEPCWSA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)CO1 ZINC000664143410 1073926202 /nfs/dbraw/zinc/92/62/02/1073926202.db2.gz QNMGODXBDDCXDX-KZNAEPCWSA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@H](C)CO1 ZINC000664143410 1073926194 /nfs/dbraw/zinc/92/61/94/1073926194.db2.gz QNMGODXBDDCXDX-KZNAEPCWSA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)CO1 ZINC000664143411 1073926042 /nfs/dbraw/zinc/92/60/42/1073926042.db2.gz QNMGODXBDDCXDX-RCCFBDPRSA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)CO1 ZINC000664143411 1073926037 /nfs/dbraw/zinc/92/60/37/1073926037.db2.gz QNMGODXBDDCXDX-RCCFBDPRSA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)CO1 ZINC000664143411 1073926031 /nfs/dbraw/zinc/92/60/31/1073926031.db2.gz QNMGODXBDDCXDX-RCCFBDPRSA-N 2 2 383.537 -0.199 20 0 GBADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](C)CO1 ZINC000664143411 1073926023 /nfs/dbraw/zinc/92/60/23/1073926023.db2.gz QNMGODXBDDCXDX-RCCFBDPRSA-N 2 2 383.537 -0.199 20 0 GBADLP CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664179713 1073971370 /nfs/dbraw/zinc/97/13/70/1073971370.db2.gz SZUOSTRLMRKLQH-UHFFFAOYSA-N 2 2 384.525 -0.750 20 0 GBADLP CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664179713 1073971364 /nfs/dbraw/zinc/97/13/64/1073971364.db2.gz SZUOSTRLMRKLQH-UHFFFAOYSA-N 2 2 384.525 -0.750 20 0 GBADLP C[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)S(N)(=O)=O ZINC000664235630 530163946 /nfs/dbraw/zinc/16/39/46/530163946.db2.gz VXBWMNALYZBVEI-AWEZNQCLSA-N 2 2 375.539 -0.087 20 0 GBADLP C[C@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)S(N)(=O)=O ZINC000664235634 530164239 /nfs/dbraw/zinc/16/42/39/530164239.db2.gz VXBWMNALYZBVEI-CQSZACIVSA-N 2 2 375.539 -0.087 20 0 GBADLP CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000664308354 1072438923 /nfs/dbraw/zinc/43/89/23/1072438923.db2.gz XOMJKGCRNXWBEA-KBXCAEBGSA-N 2 2 382.509 -0.110 20 0 GBADLP CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000664308354 1072438919 /nfs/dbraw/zinc/43/89/19/1072438919.db2.gz XOMJKGCRNXWBEA-KBXCAEBGSA-N 2 2 382.509 -0.110 20 0 GBADLP CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000664308355 1072438610 /nfs/dbraw/zinc/43/86/10/1072438610.db2.gz XOMJKGCRNXWBEA-KDOFPFPSSA-N 2 2 382.509 -0.110 20 0 GBADLP CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000664308355 1072438606 /nfs/dbraw/zinc/43/86/06/1072438606.db2.gz XOMJKGCRNXWBEA-KDOFPFPSSA-N 2 2 382.509 -0.110 20 0 GBADLP CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000664308356 1072438413 /nfs/dbraw/zinc/43/84/13/1072438413.db2.gz XOMJKGCRNXWBEA-KSSFIOAISA-N 2 2 382.509 -0.110 20 0 GBADLP CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000664308356 1072438406 /nfs/dbraw/zinc/43/84/06/1072438406.db2.gz XOMJKGCRNXWBEA-KSSFIOAISA-N 2 2 382.509 -0.110 20 0 GBADLP CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000664308357 1072438451 /nfs/dbraw/zinc/43/84/51/1072438451.db2.gz XOMJKGCRNXWBEA-RDTXWAMCSA-N 2 2 382.509 -0.110 20 0 GBADLP CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000664308357 1072438442 /nfs/dbraw/zinc/43/84/42/1072438442.db2.gz XOMJKGCRNXWBEA-RDTXWAMCSA-N 2 2 382.509 -0.110 20 0 GBADLP COCCNc1nc(N(C)CC2C[NH+](C)C2)nc(N(C)CC2C[NH+](C)C2)[nH+]1 ZINC000664332854 1072481658 /nfs/dbraw/zinc/48/16/58/1072481658.db2.gz YYBDAMPAPFBELB-UHFFFAOYSA-N 3 2 378.525 -0.653 20 0 GBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCN1S(C)(=O)=O ZINC000664540627 530165062 /nfs/dbraw/zinc/16/50/62/530165062.db2.gz ZNRMWIDKCYFEBU-CQSZACIVSA-N 2 2 375.539 -0.312 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664830879 530165775 /nfs/dbraw/zinc/16/57/75/530165775.db2.gz BQJVMOWQLALVGO-CABCVRRESA-N 2 2 377.555 -0.113 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664830879 530165773 /nfs/dbraw/zinc/16/57/73/530165773.db2.gz BQJVMOWQLALVGO-CABCVRRESA-N 2 2 377.555 -0.113 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664830880 530165633 /nfs/dbraw/zinc/16/56/33/530165633.db2.gz BQJVMOWQLALVGO-GJZGRUSLSA-N 2 2 377.555 -0.113 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664830880 530165631 /nfs/dbraw/zinc/16/56/31/530165631.db2.gz BQJVMOWQLALVGO-GJZGRUSLSA-N 2 2 377.555 -0.113 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664830881 530165669 /nfs/dbraw/zinc/16/56/69/530165669.db2.gz BQJVMOWQLALVGO-HUUCEWRRSA-N 2 2 377.555 -0.113 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664830881 530165666 /nfs/dbraw/zinc/16/56/66/530165666.db2.gz BQJVMOWQLALVGO-HUUCEWRRSA-N 2 2 377.555 -0.113 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664830882 530165749 /nfs/dbraw/zinc/16/57/49/530165749.db2.gz BQJVMOWQLALVGO-LSDHHAIUSA-N 2 2 377.555 -0.113 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664830882 530165747 /nfs/dbraw/zinc/16/57/47/530165747.db2.gz BQJVMOWQLALVGO-LSDHHAIUSA-N 2 2 377.555 -0.113 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000664886993 530166427 /nfs/dbraw/zinc/16/64/27/530166427.db2.gz PKUHOMUKJVCOBI-HNNXBMFYSA-N 2 2 377.555 -0.017 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000664886993 530166424 /nfs/dbraw/zinc/16/64/24/530166424.db2.gz PKUHOMUKJVCOBI-HNNXBMFYSA-N 2 2 377.555 -0.017 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000664886995 530166289 /nfs/dbraw/zinc/16/62/89/530166289.db2.gz PKUHOMUKJVCOBI-OAHLLOKOSA-N 2 2 377.555 -0.017 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000664886995 530166287 /nfs/dbraw/zinc/16/62/87/530166287.db2.gz PKUHOMUKJVCOBI-OAHLLOKOSA-N 2 2 377.555 -0.017 20 0 GBADLP CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000664899515 1073079064 /nfs/dbraw/zinc/07/90/64/1073079064.db2.gz XDOZUTABXZOUJV-OAHLLOKOSA-N 2 2 392.570 -0.560 20 0 GBADLP CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000664899515 1073079057 /nfs/dbraw/zinc/07/90/57/1073079057.db2.gz XDOZUTABXZOUJV-OAHLLOKOSA-N 2 2 392.570 -0.560 20 0 GBADLP CN(C)S(=O)(=O)NCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665012652 1073158534 /nfs/dbraw/zinc/15/85/34/1073158534.db2.gz SDCQZWJPRVIILE-HNNXBMFYSA-N 2 2 390.554 -0.808 20 0 GBADLP CN(C)S(=O)(=O)NCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665012652 1073158525 /nfs/dbraw/zinc/15/85/25/1073158525.db2.gz SDCQZWJPRVIILE-HNNXBMFYSA-N 2 2 390.554 -0.808 20 0 GBADLP CN(C)S(=O)(=O)NCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665012654 1073158554 /nfs/dbraw/zinc/15/85/54/1073158554.db2.gz SDCQZWJPRVIILE-OAHLLOKOSA-N 2 2 390.554 -0.808 20 0 GBADLP CN(C)S(=O)(=O)NCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665012654 1073158549 /nfs/dbraw/zinc/15/85/49/1073158549.db2.gz SDCQZWJPRVIILE-OAHLLOKOSA-N 2 2 390.554 -0.808 20 0 GBADLP CN(C)S(=O)(=O)NCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000665015659 1073160553 /nfs/dbraw/zinc/16/05/53/1073160553.db2.gz NDQDIOZVZLWTPJ-UHFFFAOYSA-N 2 2 390.554 -0.760 20 0 GBADLP CN(C)S(=O)(=O)NCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665018504 530167754 /nfs/dbraw/zinc/16/77/54/530167754.db2.gz QCYVSVJOVBDIOC-UHFFFAOYSA-N 2 2 378.543 -0.950 20 0 GBADLP CN(C)S(=O)(=O)NCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000665018504 530167753 /nfs/dbraw/zinc/16/77/53/530167753.db2.gz QCYVSVJOVBDIOC-UHFFFAOYSA-N 2 2 378.543 -0.950 20 0 GBADLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC000665041156 1073170194 /nfs/dbraw/zinc/17/01/94/1073170194.db2.gz VIHSLNUJSWNHRW-GRZALLJUSA-N 2 2 390.488 -0.069 20 0 GBADLP CN(C(=O)NCCOCCS(N)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665104030 1073178232 /nfs/dbraw/zinc/17/82/32/1073178232.db2.gz CGXIEINSZBUVRB-HNNXBMFYSA-N 2 2 391.538 -0.899 20 0 GBADLP CN(C(=O)NCCOCCS(N)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665104030 1073178230 /nfs/dbraw/zinc/17/82/30/1073178230.db2.gz CGXIEINSZBUVRB-HNNXBMFYSA-N 2 2 391.538 -0.899 20 0 GBADLP CN(C(=O)NCCOCCS(N)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665104031 1073178307 /nfs/dbraw/zinc/17/83/07/1073178307.db2.gz CGXIEINSZBUVRB-OAHLLOKOSA-N 2 2 391.538 -0.899 20 0 GBADLP CN(C(=O)NCCOCCS(N)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665104031 1073178303 /nfs/dbraw/zinc/17/83/03/1073178303.db2.gz CGXIEINSZBUVRB-OAHLLOKOSA-N 2 2 391.538 -0.899 20 0 GBADLP CC1[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000665108664 1073180715 /nfs/dbraw/zinc/18/07/15/1073180715.db2.gz YBQMXCGMYRJXNI-ROUUACIJSA-N 2 2 396.532 -0.455 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665127076 1073186677 /nfs/dbraw/zinc/18/66/77/1073186677.db2.gz CDMSPAFNAZUJOK-UHFFFAOYSA-N 3 2 398.596 -0.034 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665127076 1073186671 /nfs/dbraw/zinc/18/66/71/1073186671.db2.gz CDMSPAFNAZUJOK-UHFFFAOYSA-N 3 2 398.596 -0.034 20 0 GBADLP Cn1c(=O)c2cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnc2n(C)c1=O ZINC000665566935 1073466265 /nfs/dbraw/zinc/46/62/65/1073466265.db2.gz BOELAZZQTULGQP-UHFFFAOYSA-N 2 2 391.476 -0.363 20 0 GBADLP Cn1c(=O)c2cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cnc2n(C)c1=O ZINC000665566935 1073466262 /nfs/dbraw/zinc/46/62/62/1073466262.db2.gz BOELAZZQTULGQP-UHFFFAOYSA-N 2 2 391.476 -0.363 20 0 GBADLP C[NH+]1CCO[C@@H](C(=O)NCC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCCCC2)C1 ZINC000665670652 1073502255 /nfs/dbraw/zinc/50/22/55/1073502255.db2.gz ZJCHXXUGSTZZSK-IAGOWNOFSA-N 2 2 396.532 -0.170 20 0 GBADLP C[NH+]1CCO[C@@H](C(=O)NCC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCCCC2)C1 ZINC000665670652 1073502245 /nfs/dbraw/zinc/50/22/45/1073502245.db2.gz ZJCHXXUGSTZZSK-IAGOWNOFSA-N 2 2 396.532 -0.170 20 0 GBADLP C[NH+]1CCO[C@H](C(=O)NCC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCCCC2)C1 ZINC000665670653 1073502133 /nfs/dbraw/zinc/50/21/33/1073502133.db2.gz ZJCHXXUGSTZZSK-IRXDYDNUSA-N 2 2 396.532 -0.170 20 0 GBADLP C[NH+]1CCO[C@H](C(=O)NCC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCCCC2)C1 ZINC000665670653 1073502126 /nfs/dbraw/zinc/50/21/26/1073502126.db2.gz ZJCHXXUGSTZZSK-IRXDYDNUSA-N 2 2 396.532 -0.170 20 0 GBADLP C[NH+]1CCC(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)(N2CCOCC2)CC1 ZINC000665758409 1073516393 /nfs/dbraw/zinc/51/63/93/1073516393.db2.gz LJTGYRHPFRBCSX-HDICACEKSA-N 2 2 395.548 -0.055 20 0 GBADLP C[NH+]1CCC(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)(N2CCOCC2)CC1 ZINC000665758409 1073516384 /nfs/dbraw/zinc/51/63/84/1073516384.db2.gz LJTGYRHPFRBCSX-HDICACEKSA-N 2 2 395.548 -0.055 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000666107292 1073868227 /nfs/dbraw/zinc/86/82/27/1073868227.db2.gz IJJSUPAFJDQPFJ-BZUAXINKSA-N 2 2 390.550 -0.144 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000666107292 1073868220 /nfs/dbraw/zinc/86/82/20/1073868220.db2.gz IJJSUPAFJDQPFJ-BZUAXINKSA-N 2 2 390.550 -0.144 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666107293 1073868412 /nfs/dbraw/zinc/86/84/12/1073868412.db2.gz IJJSUPAFJDQPFJ-OAGGEKHMSA-N 2 2 390.550 -0.144 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666107293 1073868407 /nfs/dbraw/zinc/86/84/07/1073868407.db2.gz IJJSUPAFJDQPFJ-OAGGEKHMSA-N 2 2 390.550 -0.144 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000666107294 1073868158 /nfs/dbraw/zinc/86/81/58/1073868158.db2.gz IJJSUPAFJDQPFJ-OWCLPIDISA-N 2 2 390.550 -0.144 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000666107294 1073868145 /nfs/dbraw/zinc/86/81/45/1073868145.db2.gz IJJSUPAFJDQPFJ-OWCLPIDISA-N 2 2 390.550 -0.144 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666107295 1073868110 /nfs/dbraw/zinc/86/81/10/1073868110.db2.gz IJJSUPAFJDQPFJ-PMPSAXMXSA-N 2 2 390.550 -0.144 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666107295 1073868102 /nfs/dbraw/zinc/86/81/02/1073868102.db2.gz IJJSUPAFJDQPFJ-PMPSAXMXSA-N 2 2 390.550 -0.144 20 0 GBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666124607 1073872762 /nfs/dbraw/zinc/87/27/62/1073872762.db2.gz KTNPDWCNLMPYPM-UHFFFAOYSA-N 2 2 395.508 -0.301 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000666126736 1073873335 /nfs/dbraw/zinc/87/33/35/1073873335.db2.gz SRARSSIPWKNDHB-UHFFFAOYSA-N 2 2 395.508 -0.253 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000666126736 1073873318 /nfs/dbraw/zinc/87/33/18/1073873318.db2.gz SRARSSIPWKNDHB-UHFFFAOYSA-N 2 2 395.508 -0.253 20 0 GBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666240033 1073894593 /nfs/dbraw/zinc/89/45/93/1073894593.db2.gz WBSBLFROPMXOIS-UHFFFAOYSA-N 2 2 395.508 -0.301 20 0 GBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000666241513 1073895248 /nfs/dbraw/zinc/89/52/48/1073895248.db2.gz NRPXSZAWPQNLKF-UHFFFAOYSA-N 2 2 395.508 -0.253 20 0 GBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000666241513 1073895238 /nfs/dbraw/zinc/89/52/38/1073895238.db2.gz NRPXSZAWPQNLKF-UHFFFAOYSA-N 2 2 395.508 -0.253 20 0 GBADLP C[NH+](C)C1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000666375998 1073907565 /nfs/dbraw/zinc/90/75/65/1073907565.db2.gz UOTYBZMGTXYEGJ-UHFFFAOYSA-N 2 2 381.502 -0.256 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000666503202 1073913111 /nfs/dbraw/zinc/91/31/11/1073913111.db2.gz NMUMVLXHEUYZIU-INIZCTEOSA-N 2 2 384.521 -0.219 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000666503203 1073913208 /nfs/dbraw/zinc/91/32/08/1073913208.db2.gz NMUMVLXHEUYZIU-MRXNPFEDSA-N 2 2 384.521 -0.219 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000668687497 530111065 /nfs/dbraw/zinc/11/10/65/530111065.db2.gz JYTDVHOYQHTBEX-AWEZNQCLSA-N 2 2 375.539 -0.614 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000668687497 530111063 /nfs/dbraw/zinc/11/10/63/530111063.db2.gz JYTDVHOYQHTBEX-AWEZNQCLSA-N 2 2 375.539 -0.614 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000668687516 530110890 /nfs/dbraw/zinc/11/08/90/530110890.db2.gz JYTDVHOYQHTBEX-CQSZACIVSA-N 2 2 375.539 -0.614 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000668687516 530110888 /nfs/dbraw/zinc/11/08/88/530110888.db2.gz JYTDVHOYQHTBEX-CQSZACIVSA-N 2 2 375.539 -0.614 20 0 GBADLP CN(C)S(=O)(=O)NCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000669251209 530200971 /nfs/dbraw/zinc/20/09/71/530200971.db2.gz BYKUXQFQGRVJHJ-UHFFFAOYSA-N 2 2 375.539 -0.551 20 0 GBADLP C[NH+]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000669624810 530344019 /nfs/dbraw/zinc/34/40/19/530344019.db2.gz CLQJDKWFTIRWPG-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP C[NH+]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000669624810 530344016 /nfs/dbraw/zinc/34/40/16/530344016.db2.gz CLQJDKWFTIRWPG-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP C[NH+]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000669624810 530344013 /nfs/dbraw/zinc/34/40/13/530344013.db2.gz CLQJDKWFTIRWPG-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP C[NH+]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000669624810 530344010 /nfs/dbraw/zinc/34/40/10/530344010.db2.gz CLQJDKWFTIRWPG-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670177643 530461573 /nfs/dbraw/zinc/46/15/73/530461573.db2.gz KICPFOJHWPUHTM-UHFFFAOYSA-N 2 2 375.539 -0.266 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670177643 530461571 /nfs/dbraw/zinc/46/15/71/530461571.db2.gz KICPFOJHWPUHTM-UHFFFAOYSA-N 2 2 375.539 -0.266 20 0 GBADLP COCCOCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670718755 1072543232 /nfs/dbraw/zinc/54/32/32/1072543232.db2.gz PGMRRXUHZXSHEA-KRWDZBQOSA-N 2 2 384.521 -0.217 20 0 GBADLP COCCOCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670718755 1072543223 /nfs/dbraw/zinc/54/32/23/1072543223.db2.gz PGMRRXUHZXSHEA-KRWDZBQOSA-N 2 2 384.521 -0.217 20 0 GBADLP COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000670769722 1072762058 /nfs/dbraw/zinc/76/20/58/1072762058.db2.gz CFRNVKFKFQXTID-OAHLLOKOSA-N 2 2 375.473 -0.009 20 0 GBADLP COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000670769722 1072762053 /nfs/dbraw/zinc/76/20/53/1072762053.db2.gz CFRNVKFKFQXTID-OAHLLOKOSA-N 2 2 375.473 -0.009 20 0 GBADLP COc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000670818626 1073553736 /nfs/dbraw/zinc/55/37/36/1073553736.db2.gz VGALLZLSNOGDTI-HNNXBMFYSA-N 2 2 375.473 -0.009 20 0 GBADLP COc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000670818626 1073553728 /nfs/dbraw/zinc/55/37/28/1073553728.db2.gz VGALLZLSNOGDTI-HNNXBMFYSA-N 2 2 375.473 -0.009 20 0 GBADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670879401 1073952501 /nfs/dbraw/zinc/95/25/01/1073952501.db2.gz LGPAKBXLPARWKO-CRAIPNDOSA-N 2 2 389.500 -0.003 20 0 GBADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670879401 1073952495 /nfs/dbraw/zinc/95/24/95/1073952495.db2.gz LGPAKBXLPARWKO-CRAIPNDOSA-N 2 2 389.500 -0.003 20 0 GBADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967403 1073366587 /nfs/dbraw/zinc/36/65/87/1073366587.db2.gz NJYPAHTWVKQQSN-JKSUJKDBSA-N 2 2 379.505 -0.648 20 0 GBADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967403 1073366579 /nfs/dbraw/zinc/36/65/79/1073366579.db2.gz NJYPAHTWVKQQSN-JKSUJKDBSA-N 2 2 379.505 -0.648 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672012380 1072552934 /nfs/dbraw/zinc/55/29/34/1072552934.db2.gz RKLUOEUPAUQGNF-AEFFLSMTSA-N 2 2 395.548 -0.692 20 0 GBADLP CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639855 1072485352 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VWVPJYKZGDZJSF-HOTGVXAUSA-N 2 2 376.567 -0.164 20 0 GBADLP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221249 530193140 /nfs/dbraw/zinc/19/31/40/530193140.db2.gz VWVPJYKZGDZJSF-HOTGVXAUSA-N 2 2 376.567 -0.164 20 0 GBADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221250 530192876 /nfs/dbraw/zinc/19/28/76/530192876.db2.gz VWVPJYKZGDZJSF-HZPDHXFCSA-N 2 2 376.567 -0.164 20 0 GBADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221250 530192873 /nfs/dbraw/zinc/19/28/73/530192873.db2.gz VWVPJYKZGDZJSF-HZPDHXFCSA-N 2 2 376.567 -0.164 20 0 GBADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221251 530193169 /nfs/dbraw/zinc/19/31/69/530193169.db2.gz VWVPJYKZGDZJSF-JKSUJKDBSA-N 2 2 376.567 -0.164 20 0 GBADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221251 530193166 /nfs/dbraw/zinc/19/31/66/530193166.db2.gz VWVPJYKZGDZJSF-JKSUJKDBSA-N 2 2 376.567 -0.164 20 0 GBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000677577116 530193310 /nfs/dbraw/zinc/19/33/10/530193310.db2.gz CTVOJOVCNHWHLO-AWEZNQCLSA-N 2 2 375.539 -0.264 20 0 GBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000677577117 530193683 /nfs/dbraw/zinc/19/36/83/530193683.db2.gz CTVOJOVCNHWHLO-CQSZACIVSA-N 2 2 375.539 -0.264 20 0 GBADLP CN(CCN1CCCS1(=O)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000677577706 530193676 /nfs/dbraw/zinc/19/36/76/530193676.db2.gz LBCIQOALYNOVIB-UHFFFAOYSA-N 2 2 375.539 -0.311 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000680377915 530196306 /nfs/dbraw/zinc/19/63/06/530196306.db2.gz IPCHAOPVFQORPG-CZMZKRSCSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000680377915 530196303 /nfs/dbraw/zinc/19/63/03/530196303.db2.gz IPCHAOPVFQORPG-CZMZKRSCSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000680377915 530196302 /nfs/dbraw/zinc/19/63/02/530196302.db2.gz IPCHAOPVFQORPG-CZMZKRSCSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000680377915 530196300 /nfs/dbraw/zinc/19/63/00/530196300.db2.gz IPCHAOPVFQORPG-CZMZKRSCSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000680377916 530196592 /nfs/dbraw/zinc/19/65/92/530196592.db2.gz IPCHAOPVFQORPG-GEYXIOIISA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000680377916 530196590 /nfs/dbraw/zinc/19/65/90/530196590.db2.gz IPCHAOPVFQORPG-GEYXIOIISA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000680377917 530196661 /nfs/dbraw/zinc/19/66/61/530196661.db2.gz IPCHAOPVFQORPG-KOMGFDSOSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000680377917 530196658 /nfs/dbraw/zinc/19/66/58/530196658.db2.gz IPCHAOPVFQORPG-KOMGFDSOSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000680377918 530196906 /nfs/dbraw/zinc/19/69/06/530196906.db2.gz IPCHAOPVFQORPG-YZRRVPADSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000680377918 530196905 /nfs/dbraw/zinc/19/69/05/530196905.db2.gz IPCHAOPVFQORPG-YZRRVPADSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000680377918 530196900 /nfs/dbraw/zinc/19/69/00/530196900.db2.gz IPCHAOPVFQORPG-YZRRVPADSA-N 2 2 380.536 -0.952 20 0 GBADLP NS(=O)(=O)[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000680377918 530196896 /nfs/dbraw/zinc/19/68/96/530196896.db2.gz IPCHAOPVFQORPG-YZRRVPADSA-N 2 2 380.536 -0.952 20 0 GBADLP CC(C)[C@@H](CN(C)C(=O)CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH+](C)CC1 ZINC000683118325 1072134901 /nfs/dbraw/zinc/13/49/01/1072134901.db2.gz GENSZMOTMDCSQQ-GOSISDBHSA-N 2 2 396.580 -0.920 20 0 GBADLP CC(C)[C@H](CN(C)C(=O)CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH+](C)CC1 ZINC000683118326 1072135095 /nfs/dbraw/zinc/13/50/95/1072135095.db2.gz GENSZMOTMDCSQQ-SFHVURJKSA-N 2 2 396.580 -0.920 20 0 GBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](C)CC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000683481246 1072301936 /nfs/dbraw/zinc/30/19/36/1072301936.db2.gz JFMVJXMDFGRCPN-BCDXTJNWSA-N 2 2 398.548 -0.547 20 0 GBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000684030021 1072480103 /nfs/dbraw/zinc/48/01/03/1072480103.db2.gz ZIPOZPGCLYROEB-GASCZTMLSA-N 2 2 380.493 -0.049 20 0 GBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000684030021 1072480082 /nfs/dbraw/zinc/48/00/82/1072480082.db2.gz ZIPOZPGCLYROEB-GASCZTMLSA-N 2 2 380.493 -0.049 20 0 GBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000684030034 1072480395 /nfs/dbraw/zinc/48/03/95/1072480395.db2.gz ZVDLBRBZBMBZGH-UHFFFAOYSA-N 2 2 380.493 -0.048 20 0 GBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000684030034 1072480392 /nfs/dbraw/zinc/48/03/92/1072480392.db2.gz ZVDLBRBZBMBZGH-UHFFFAOYSA-N 2 2 380.493 -0.048 20 0 GBADLP CN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684879173 1072356090 /nfs/dbraw/zinc/35/60/90/1072356090.db2.gz HTOAWYXJYPUQEF-AWEZNQCLSA-N 2 2 381.502 -0.031 20 0 GBADLP CN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684879173 1072356079 /nfs/dbraw/zinc/35/60/79/1072356079.db2.gz HTOAWYXJYPUQEF-AWEZNQCLSA-N 2 2 381.502 -0.031 20 0 GBADLP CN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684879174 1072356429 /nfs/dbraw/zinc/35/64/29/1072356429.db2.gz HTOAWYXJYPUQEF-CQSZACIVSA-N 2 2 381.502 -0.031 20 0 GBADLP 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CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000685081822 1072434460 /nfs/dbraw/zinc/43/44/60/1072434460.db2.gz XPRQRMQFZIOGSQ-MSOLQXFVSA-N 2 2 398.548 -0.378 20 0 GBADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000685081822 1072434459 /nfs/dbraw/zinc/43/44/59/1072434459.db2.gz XPRQRMQFZIOGSQ-MSOLQXFVSA-N 2 2 398.548 -0.378 20 0 GBADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000685081823 1072434154 /nfs/dbraw/zinc/43/41/54/1072434154.db2.gz XPRQRMQFZIOGSQ-QZTJIDSGSA-N 2 2 398.548 -0.378 20 0 GBADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000685081823 1072434152 /nfs/dbraw/zinc/43/41/52/1072434152.db2.gz XPRQRMQFZIOGSQ-QZTJIDSGSA-N 2 2 398.548 -0.378 20 0 GBADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000685081824 1072434428 /nfs/dbraw/zinc/43/44/28/1072434428.db2.gz XPRQRMQFZIOGSQ-ROUUACIJSA-N 2 2 398.548 -0.378 20 0 GBADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000685081824 1072434425 /nfs/dbraw/zinc/43/44/25/1072434425.db2.gz XPRQRMQFZIOGSQ-ROUUACIJSA-N 2 2 398.548 -0.378 20 0 GBADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000685081825 1072434067 /nfs/dbraw/zinc/43/40/67/1072434067.db2.gz XPRQRMQFZIOGSQ-ZWKOTPCHSA-N 2 2 398.548 -0.378 20 0 GBADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000685081825 1072434060 /nfs/dbraw/zinc/43/40/60/1072434060.db2.gz XPRQRMQFZIOGSQ-ZWKOTPCHSA-N 2 2 398.548 -0.378 20 0 GBADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685214843 1072508709 /nfs/dbraw/zinc/50/87/09/1072508709.db2.gz UDWNEVVHPPERQC-BBWFWOEESA-N 2 2 393.532 -0.356 20 0 GBADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685214843 1072508696 /nfs/dbraw/zinc/50/86/96/1072508696.db2.gz UDWNEVVHPPERQC-BBWFWOEESA-N 2 2 393.532 -0.356 20 0 GBADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685214844 1072508790 /nfs/dbraw/zinc/50/87/90/1072508790.db2.gz UDWNEVVHPPERQC-BRWVUGGUSA-N 2 2 393.532 -0.356 20 0 GBADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685214844 1072508782 /nfs/dbraw/zinc/50/87/82/1072508782.db2.gz UDWNEVVHPPERQC-BRWVUGGUSA-N 2 2 393.532 -0.356 20 0 GBADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685214845 1072508634 /nfs/dbraw/zinc/50/86/34/1072508634.db2.gz UDWNEVVHPPERQC-GVDBMIGSSA-N 2 2 393.532 -0.356 20 0 GBADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685214845 1072508617 /nfs/dbraw/zinc/50/86/17/1072508617.db2.gz UDWNEVVHPPERQC-GVDBMIGSSA-N 2 2 393.532 -0.356 20 0 GBADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685214846 1072509025 /nfs/dbraw/zinc/50/90/25/1072509025.db2.gz UDWNEVVHPPERQC-ZACQAIPSSA-N 2 2 393.532 -0.356 20 0 GBADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685214846 1072509017 /nfs/dbraw/zinc/50/90/17/1072509017.db2.gz UDWNEVVHPPERQC-ZACQAIPSSA-N 2 2 393.532 -0.356 20 0 GBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000685276340 1072538079 /nfs/dbraw/zinc/53/80/79/1072538079.db2.gz GOIGDFBHRWCOTH-CABCVRRESA-N 2 2 379.505 -0.650 20 0 GBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000685276340 1072538067 /nfs/dbraw/zinc/53/80/67/1072538067.db2.gz GOIGDFBHRWCOTH-CABCVRRESA-N 2 2 379.505 -0.650 20 0 GBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000685276341 1072538739 /nfs/dbraw/zinc/53/87/39/1072538739.db2.gz GOIGDFBHRWCOTH-GJZGRUSLSA-N 2 2 379.505 -0.650 20 0 GBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000685276341 1072538733 /nfs/dbraw/zinc/53/87/33/1072538733.db2.gz GOIGDFBHRWCOTH-GJZGRUSLSA-N 2 2 379.505 -0.650 20 0 GBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000685276342 1072538488 /nfs/dbraw/zinc/53/84/88/1072538488.db2.gz GOIGDFBHRWCOTH-HUUCEWRRSA-N 2 2 379.505 -0.650 20 0 GBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000685276342 1072538471 /nfs/dbraw/zinc/53/84/71/1072538471.db2.gz GOIGDFBHRWCOTH-HUUCEWRRSA-N 2 2 379.505 -0.650 20 0 GBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@H+]1C1CC1 ZINC000685276343 1072538607 /nfs/dbraw/zinc/53/86/07/1072538607.db2.gz GOIGDFBHRWCOTH-LSDHHAIUSA-N 2 2 379.505 -0.650 20 0 GBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[N@@H+]1C1CC1 ZINC000685276343 1072538593 /nfs/dbraw/zinc/53/85/93/1072538593.db2.gz GOIGDFBHRWCOTH-LSDHHAIUSA-N 2 2 379.505 -0.650 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000685336158 1072579425 /nfs/dbraw/zinc/57/94/25/1072579425.db2.gz IRYAMGBUHCFWKN-BBWFWOEESA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000685336158 1072579418 /nfs/dbraw/zinc/57/94/18/1072579418.db2.gz IRYAMGBUHCFWKN-BBWFWOEESA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000685336158 1072579406 /nfs/dbraw/zinc/57/94/06/1072579406.db2.gz IRYAMGBUHCFWKN-BBWFWOEESA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000685336158 1072579391 /nfs/dbraw/zinc/57/93/91/1072579391.db2.gz IRYAMGBUHCFWKN-BBWFWOEESA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000685336159 1072579619 /nfs/dbraw/zinc/57/96/19/1072579619.db2.gz IRYAMGBUHCFWKN-BRWVUGGUSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000685336159 1072579613 /nfs/dbraw/zinc/57/96/13/1072579613.db2.gz IRYAMGBUHCFWKN-BRWVUGGUSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000685336159 1072579602 /nfs/dbraw/zinc/57/96/02/1072579602.db2.gz IRYAMGBUHCFWKN-BRWVUGGUSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000685336159 1072579599 /nfs/dbraw/zinc/57/95/99/1072579599.db2.gz IRYAMGBUHCFWKN-BRWVUGGUSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000685336160 1072579487 /nfs/dbraw/zinc/57/94/87/1072579487.db2.gz IRYAMGBUHCFWKN-GVDBMIGSSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000685336160 1072579482 /nfs/dbraw/zinc/57/94/82/1072579482.db2.gz IRYAMGBUHCFWKN-GVDBMIGSSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000685336160 1072579471 /nfs/dbraw/zinc/57/94/71/1072579471.db2.gz IRYAMGBUHCFWKN-GVDBMIGSSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000685336160 1072579461 /nfs/dbraw/zinc/57/94/61/1072579461.db2.gz IRYAMGBUHCFWKN-GVDBMIGSSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000685336161 1072579563 /nfs/dbraw/zinc/57/95/63/1072579563.db2.gz IRYAMGBUHCFWKN-ZACQAIPSSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000685336161 1072579552 /nfs/dbraw/zinc/57/95/52/1072579552.db2.gz IRYAMGBUHCFWKN-ZACQAIPSSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000685336161 1072579539 /nfs/dbraw/zinc/57/95/39/1072579539.db2.gz IRYAMGBUHCFWKN-ZACQAIPSSA-N 2 2 384.521 -0.219 20 0 GBADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000685336161 1072579527 /nfs/dbraw/zinc/57/95/27/1072579527.db2.gz IRYAMGBUHCFWKN-ZACQAIPSSA-N 2 2 384.521 -0.219 20 0 GBADLP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337183 1072583927 /nfs/dbraw/zinc/58/39/27/1072583927.db2.gz DWNZLFCMVKNNMC-CVEARBPZSA-N 2 2 384.521 -0.362 20 0 GBADLP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337183 1072583920 /nfs/dbraw/zinc/58/39/20/1072583920.db2.gz DWNZLFCMVKNNMC-CVEARBPZSA-N 2 2 384.521 -0.362 20 0 GBADLP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337184 1072584719 /nfs/dbraw/zinc/58/47/19/1072584719.db2.gz DWNZLFCMVKNNMC-HOTGVXAUSA-N 2 2 384.521 -0.362 20 0 GBADLP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337184 1072584712 /nfs/dbraw/zinc/58/47/12/1072584712.db2.gz DWNZLFCMVKNNMC-HOTGVXAUSA-N 2 2 384.521 -0.362 20 0 GBADLP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337185 1072583791 /nfs/dbraw/zinc/58/37/91/1072583791.db2.gz DWNZLFCMVKNNMC-HZPDHXFCSA-N 2 2 384.521 -0.362 20 0 GBADLP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337185 1072583783 /nfs/dbraw/zinc/58/37/83/1072583783.db2.gz DWNZLFCMVKNNMC-HZPDHXFCSA-N 2 2 384.521 -0.362 20 0 GBADLP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337186 1072584141 /nfs/dbraw/zinc/58/41/41/1072584141.db2.gz DWNZLFCMVKNNMC-JKSUJKDBSA-N 2 2 384.521 -0.362 20 0 GBADLP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337186 1072584135 /nfs/dbraw/zinc/58/41/35/1072584135.db2.gz DWNZLFCMVKNNMC-JKSUJKDBSA-N 2 2 384.521 -0.362 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337211 1072584368 /nfs/dbraw/zinc/58/43/68/1072584368.db2.gz GAFUUYZHGLOTFN-IKGGRYGDSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337211 1072584361 /nfs/dbraw/zinc/58/43/61/1072584361.db2.gz GAFUUYZHGLOTFN-IKGGRYGDSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337212 1072584169 /nfs/dbraw/zinc/58/41/69/1072584169.db2.gz GAFUUYZHGLOTFN-IXDOHACOSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685337212 1072584161 /nfs/dbraw/zinc/58/41/61/1072584161.db2.gz GAFUUYZHGLOTFN-IXDOHACOSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337213 1072584305 /nfs/dbraw/zinc/58/43/05/1072584305.db2.gz GAFUUYZHGLOTFN-ULQDDVLXSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337213 1072584300 /nfs/dbraw/zinc/58/43/00/1072584300.db2.gz GAFUUYZHGLOTFN-ULQDDVLXSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337214 1072584332 /nfs/dbraw/zinc/58/43/32/1072584332.db2.gz GAFUUYZHGLOTFN-YESZJQIVSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685337214 1072584326 /nfs/dbraw/zinc/58/43/26/1072584326.db2.gz GAFUUYZHGLOTFN-YESZJQIVSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340207 1072583088 /nfs/dbraw/zinc/58/30/88/1072583088.db2.gz CJXAWCJEFCHGBH-BFYDXBDKSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000685340207 1072583079 /nfs/dbraw/zinc/58/30/79/1072583079.db2.gz CJXAWCJEFCHGBH-BFYDXBDKSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340207 1072583069 /nfs/dbraw/zinc/58/30/69/1072583069.db2.gz CJXAWCJEFCHGBH-BFYDXBDKSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340207 1072583056 /nfs/dbraw/zinc/58/30/56/1072583056.db2.gz CJXAWCJEFCHGBH-BFYDXBDKSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340208 1072581727 /nfs/dbraw/zinc/58/17/27/1072581727.db2.gz CJXAWCJEFCHGBH-HLLBOEOZSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000685340208 1072581720 /nfs/dbraw/zinc/58/17/20/1072581720.db2.gz CJXAWCJEFCHGBH-HLLBOEOZSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340208 1072581713 /nfs/dbraw/zinc/58/17/13/1072581713.db2.gz CJXAWCJEFCHGBH-HLLBOEOZSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340208 1072581707 /nfs/dbraw/zinc/58/17/07/1072581707.db2.gz CJXAWCJEFCHGBH-HLLBOEOZSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340209 1072582761 /nfs/dbraw/zinc/58/27/61/1072582761.db2.gz CJXAWCJEFCHGBH-INMHGKMJSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340209 1072582755 /nfs/dbraw/zinc/58/27/55/1072582755.db2.gz CJXAWCJEFCHGBH-INMHGKMJSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340209 1072582749 /nfs/dbraw/zinc/58/27/49/1072582749.db2.gz CJXAWCJEFCHGBH-INMHGKMJSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340209 1072582745 /nfs/dbraw/zinc/58/27/45/1072582745.db2.gz CJXAWCJEFCHGBH-INMHGKMJSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340210 1072582574 /nfs/dbraw/zinc/58/25/74/1072582574.db2.gz CJXAWCJEFCHGBH-UXLLHSPISA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340210 1072582561 /nfs/dbraw/zinc/58/25/61/1072582561.db2.gz CJXAWCJEFCHGBH-UXLLHSPISA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340210 1072582547 /nfs/dbraw/zinc/58/25/47/1072582547.db2.gz CJXAWCJEFCHGBH-UXLLHSPISA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340210 1072582546 /nfs/dbraw/zinc/58/25/46/1072582546.db2.gz CJXAWCJEFCHGBH-UXLLHSPISA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340211 1072582693 /nfs/dbraw/zinc/58/26/93/1072582693.db2.gz CJXAWCJEFCHGBH-VYDXJSESSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340211 1072582686 /nfs/dbraw/zinc/58/26/86/1072582686.db2.gz CJXAWCJEFCHGBH-VYDXJSESSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340211 1072582684 /nfs/dbraw/zinc/58/26/84/1072582684.db2.gz CJXAWCJEFCHGBH-VYDXJSESSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340211 1072582676 /nfs/dbraw/zinc/58/26/76/1072582676.db2.gz CJXAWCJEFCHGBH-VYDXJSESSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340212 1072581880 /nfs/dbraw/zinc/58/18/80/1072581880.db2.gz CJXAWCJEFCHGBH-YQQAZPJKSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000685340212 1072581879 /nfs/dbraw/zinc/58/18/79/1072581879.db2.gz CJXAWCJEFCHGBH-YQQAZPJKSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340212 1072581873 /nfs/dbraw/zinc/58/18/73/1072581873.db2.gz CJXAWCJEFCHGBH-YQQAZPJKSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340212 1072581865 /nfs/dbraw/zinc/58/18/65/1072581865.db2.gz CJXAWCJEFCHGBH-YQQAZPJKSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340213 1072582057 /nfs/dbraw/zinc/58/20/57/1072582057.db2.gz CJXAWCJEFCHGBH-ZMSDIMECSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000685340213 1072582049 /nfs/dbraw/zinc/58/20/49/1072582049.db2.gz CJXAWCJEFCHGBH-ZMSDIMECSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340213 1072582040 /nfs/dbraw/zinc/58/20/40/1072582040.db2.gz CJXAWCJEFCHGBH-ZMSDIMECSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000685340213 1072582031 /nfs/dbraw/zinc/58/20/31/1072582031.db2.gz CJXAWCJEFCHGBH-ZMSDIMECSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340214 1072581945 /nfs/dbraw/zinc/58/19/45/1072581945.db2.gz CJXAWCJEFCHGBH-ZOBUZTSGSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340214 1072581939 /nfs/dbraw/zinc/58/19/39/1072581939.db2.gz CJXAWCJEFCHGBH-ZOBUZTSGSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340214 1072581931 /nfs/dbraw/zinc/58/19/31/1072581931.db2.gz CJXAWCJEFCHGBH-ZOBUZTSGSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000685340214 1072581925 /nfs/dbraw/zinc/58/19/25/1072581925.db2.gz CJXAWCJEFCHGBH-ZOBUZTSGSA-N 2 2 382.505 -0.467 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341058 1072582484 /nfs/dbraw/zinc/58/24/84/1072582484.db2.gz XZFJENYXOHOSAX-DOTOQJQBSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341058 1072582481 /nfs/dbraw/zinc/58/24/81/1072582481.db2.gz XZFJENYXOHOSAX-DOTOQJQBSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341059 1072582906 /nfs/dbraw/zinc/58/29/06/1072582906.db2.gz XZFJENYXOHOSAX-NVXWUHKLSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341059 1072582902 /nfs/dbraw/zinc/58/29/02/1072582902.db2.gz XZFJENYXOHOSAX-NVXWUHKLSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341060 1072582703 /nfs/dbraw/zinc/58/27/03/1072582703.db2.gz XZFJENYXOHOSAX-RDJZCZTQSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341060 1072582700 /nfs/dbraw/zinc/58/27/00/1072582700.db2.gz XZFJENYXOHOSAX-RDJZCZTQSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341061 1072583013 /nfs/dbraw/zinc/58/30/13/1072583013.db2.gz XZFJENYXOHOSAX-WBVHZDCISA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341061 1072583007 /nfs/dbraw/zinc/58/30/07/1072583007.db2.gz XZFJENYXOHOSAX-WBVHZDCISA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341078 1072582335 /nfs/dbraw/zinc/58/23/35/1072582335.db2.gz GAFUUYZHGLOTFN-BBWFWOEESA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341078 1072582326 /nfs/dbraw/zinc/58/23/26/1072582326.db2.gz GAFUUYZHGLOTFN-BBWFWOEESA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341079 1072582938 /nfs/dbraw/zinc/58/29/38/1072582938.db2.gz GAFUUYZHGLOTFN-BRWVUGGUSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685341079 1072582930 /nfs/dbraw/zinc/58/29/30/1072582930.db2.gz GAFUUYZHGLOTFN-BRWVUGGUSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341081 1072582823 /nfs/dbraw/zinc/58/28/23/1072582823.db2.gz GAFUUYZHGLOTFN-GVDBMIGSSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685341081 1072582816 /nfs/dbraw/zinc/58/28/16/1072582816.db2.gz GAFUUYZHGLOTFN-GVDBMIGSSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341083 1072582004 /nfs/dbraw/zinc/58/20/04/1072582004.db2.gz GAFUUYZHGLOTFN-ZACQAIPSSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341083 1072581997 /nfs/dbraw/zinc/58/19/97/1072581997.db2.gz GAFUUYZHGLOTFN-ZACQAIPSSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342338 1072586176 /nfs/dbraw/zinc/58/61/76/1072586176.db2.gz ZFZTXWKJBHYDTK-DOTOQJQBSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342338 1072586171 /nfs/dbraw/zinc/58/61/71/1072586171.db2.gz ZFZTXWKJBHYDTK-DOTOQJQBSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342339 1072585033 /nfs/dbraw/zinc/58/50/33/1072585033.db2.gz ZFZTXWKJBHYDTK-NVXWUHKLSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342339 1072585022 /nfs/dbraw/zinc/58/50/22/1072585022.db2.gz ZFZTXWKJBHYDTK-NVXWUHKLSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342340 1072585471 /nfs/dbraw/zinc/58/54/71/1072585471.db2.gz ZFZTXWKJBHYDTK-RDJZCZTQSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342340 1072585464 /nfs/dbraw/zinc/58/54/64/1072585464.db2.gz ZFZTXWKJBHYDTK-RDJZCZTQSA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342342 1072586300 /nfs/dbraw/zinc/58/63/00/1072586300.db2.gz ZFZTXWKJBHYDTK-WBVHZDCISA-N 2 2 382.505 -0.608 20 0 GBADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342342 1072586298 /nfs/dbraw/zinc/58/62/98/1072586298.db2.gz ZFZTXWKJBHYDTK-WBVHZDCISA-N 2 2 382.505 -0.608 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000685343547 1072587849 /nfs/dbraw/zinc/58/78/49/1072587849.db2.gz MSUBAQINQBJEDY-CVEARBPZSA-N 2 2 375.473 -0.126 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000685343547 1072587837 /nfs/dbraw/zinc/58/78/37/1072587837.db2.gz MSUBAQINQBJEDY-CVEARBPZSA-N 2 2 375.473 -0.126 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000685343548 1072587535 /nfs/dbraw/zinc/58/75/35/1072587535.db2.gz MSUBAQINQBJEDY-HOTGVXAUSA-N 2 2 375.473 -0.126 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000685343548 1072587528 /nfs/dbraw/zinc/58/75/28/1072587528.db2.gz MSUBAQINQBJEDY-HOTGVXAUSA-N 2 2 375.473 -0.126 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000685343550 1072586662 /nfs/dbraw/zinc/58/66/62/1072586662.db2.gz MSUBAQINQBJEDY-HZPDHXFCSA-N 2 2 375.473 -0.126 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000685343550 1072586653 /nfs/dbraw/zinc/58/66/53/1072586653.db2.gz MSUBAQINQBJEDY-HZPDHXFCSA-N 2 2 375.473 -0.126 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000685343552 1072587376 /nfs/dbraw/zinc/58/73/76/1072587376.db2.gz MSUBAQINQBJEDY-JKSUJKDBSA-N 2 2 375.473 -0.126 20 0 GBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000685343552 1072587368 /nfs/dbraw/zinc/58/73/68/1072587368.db2.gz MSUBAQINQBJEDY-JKSUJKDBSA-N 2 2 375.473 -0.126 20 0 GBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000685343794 1072588295 /nfs/dbraw/zinc/58/82/95/1072588295.db2.gz OQHFEOCKKJHFAM-GDBMZVCRSA-N 2 2 391.472 -0.426 20 0 GBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000685343794 1072588289 /nfs/dbraw/zinc/58/82/89/1072588289.db2.gz OQHFEOCKKJHFAM-GDBMZVCRSA-N 2 2 391.472 -0.426 20 0 GBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000685343795 1072588433 /nfs/dbraw/zinc/58/84/33/1072588433.db2.gz OQHFEOCKKJHFAM-GOEBONIOSA-N 2 2 391.472 -0.426 20 0 GBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000685343795 1072588424 /nfs/dbraw/zinc/58/84/24/1072588424.db2.gz OQHFEOCKKJHFAM-GOEBONIOSA-N 2 2 391.472 -0.426 20 0 GBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000685343796 1072588556 /nfs/dbraw/zinc/58/85/56/1072588556.db2.gz OQHFEOCKKJHFAM-HOCLYGCPSA-N 2 2 391.472 -0.426 20 0 GBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000685343796 1072588547 /nfs/dbraw/zinc/58/85/47/1072588547.db2.gz OQHFEOCKKJHFAM-HOCLYGCPSA-N 2 2 391.472 -0.426 20 0 GBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000685343797 1072588833 /nfs/dbraw/zinc/58/88/33/1072588833.db2.gz OQHFEOCKKJHFAM-ZBFHGGJFSA-N 2 2 391.472 -0.426 20 0 GBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000685343797 1072588821 /nfs/dbraw/zinc/58/88/21/1072588821.db2.gz OQHFEOCKKJHFAM-ZBFHGGJFSA-N 2 2 391.472 -0.426 20 0 GBADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000685352444 1072590051 /nfs/dbraw/zinc/59/00/51/1072590051.db2.gz PIRLFTQYEZNEEP-BZSNNMDCSA-N 2 2 396.532 -0.077 20 0 GBADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000685352444 1072590044 /nfs/dbraw/zinc/59/00/44/1072590044.db2.gz PIRLFTQYEZNEEP-BZSNNMDCSA-N 2 2 396.532 -0.077 20 0 GBADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000685352445 1072589571 /nfs/dbraw/zinc/58/95/71/1072589571.db2.gz PIRLFTQYEZNEEP-FGTMMUONSA-N 2 2 396.532 -0.077 20 0 GBADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000685352445 1072589566 /nfs/dbraw/zinc/58/95/66/1072589566.db2.gz PIRLFTQYEZNEEP-FGTMMUONSA-N 2 2 396.532 -0.077 20 0 GBADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000685352446 1072590067 /nfs/dbraw/zinc/59/00/67/1072590067.db2.gz PIRLFTQYEZNEEP-OKZBNKHCSA-N 2 2 396.532 -0.077 20 0 GBADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000685352446 1072590064 /nfs/dbraw/zinc/59/00/64/1072590064.db2.gz PIRLFTQYEZNEEP-OKZBNKHCSA-N 2 2 396.532 -0.077 20 0 GBADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000685352447 1072589695 /nfs/dbraw/zinc/58/96/95/1072589695.db2.gz PIRLFTQYEZNEEP-SQNIBIBYSA-N 2 2 396.532 -0.077 20 0 GBADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000685352447 1072589692 /nfs/dbraw/zinc/58/96/92/1072589692.db2.gz PIRLFTQYEZNEEP-SQNIBIBYSA-N 2 2 396.532 -0.077 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000685520590 1072601142 /nfs/dbraw/zinc/60/11/42/1072601142.db2.gz OJFWQAXRCCIIFB-CVEARBPZSA-N 2 2 384.521 -0.626 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000685520590 1072601138 /nfs/dbraw/zinc/60/11/38/1072601138.db2.gz OJFWQAXRCCIIFB-CVEARBPZSA-N 2 2 384.521 -0.626 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000685520591 1072601113 /nfs/dbraw/zinc/60/11/13/1072601113.db2.gz OJFWQAXRCCIIFB-HOTGVXAUSA-N 2 2 384.521 -0.626 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000685520591 1072601109 /nfs/dbraw/zinc/60/11/09/1072601109.db2.gz OJFWQAXRCCIIFB-HOTGVXAUSA-N 2 2 384.521 -0.626 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000685520592 1072601012 /nfs/dbraw/zinc/60/10/12/1072601012.db2.gz OJFWQAXRCCIIFB-HZPDHXFCSA-N 2 2 384.521 -0.626 20 0 GBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000685520592 1072601008 /nfs/dbraw/zinc/60/10/08/1072601008.db2.gz OJFWQAXRCCIIFB-HZPDHXFCSA-N 2 2 384.521 -0.626 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000685520593 1072600942 /nfs/dbraw/zinc/60/09/42/1072600942.db2.gz OJFWQAXRCCIIFB-JKSUJKDBSA-N 2 2 384.521 -0.626 20 0 GBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000685520593 1072600936 /nfs/dbraw/zinc/60/09/36/1072600936.db2.gz OJFWQAXRCCIIFB-JKSUJKDBSA-N 2 2 384.521 -0.626 20 0 GBADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000685760227 1072799200 /nfs/dbraw/zinc/79/92/00/1072799200.db2.gz NJRFRKZBCCRKEZ-HNNXBMFYSA-N 2 2 380.493 -0.001 20 0 GBADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000685760227 1072799196 /nfs/dbraw/zinc/79/91/96/1072799196.db2.gz NJRFRKZBCCRKEZ-HNNXBMFYSA-N 2 2 380.493 -0.001 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=S)NCCNS(C)(=O)=O)CC2)CC1 ZINC000727082088 637395439 /nfs/dbraw/zinc/39/54/39/637395439.db2.gz KFLHOJMRSVZJIZ-UHFFFAOYSA-N 2 2 377.580 -0.442 20 0 GBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000728450947 1072298013 /nfs/dbraw/zinc/29/80/13/1072298013.db2.gz KGODBOREARYCQW-UHFFFAOYSA-N 2 2 383.562 -0.177 20 0 GBADLP CCNS(=O)(=O)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000731683464 637518845 /nfs/dbraw/zinc/51/88/45/637518845.db2.gz ABYZCLDEQPMQNE-UHFFFAOYSA-N 2 2 375.539 -0.217 20 0 GBADLP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731761125 637521234 /nfs/dbraw/zinc/52/12/34/637521234.db2.gz TUTFRXINQXCYMM-UHFFFAOYSA-N 2 2 378.539 -0.285 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000732890736 637530700 /nfs/dbraw/zinc/53/07/00/637530700.db2.gz NFQKULFMIPLPAA-UHFFFAOYSA-N 2 2 378.564 -0.157 20 0 GBADLP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000736660873 637587236 /nfs/dbraw/zinc/58/72/36/637587236.db2.gz NBBYCLATZJAFPT-HNNXBMFYSA-N 2 2 376.523 -0.485 20 0 GBADLP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000736660873 637587233 /nfs/dbraw/zinc/58/72/33/637587233.db2.gz NBBYCLATZJAFPT-HNNXBMFYSA-N 2 2 376.523 -0.485 20 0 GBADLP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000736660876 637586627 /nfs/dbraw/zinc/58/66/27/637586627.db2.gz NBBYCLATZJAFPT-OAHLLOKOSA-N 2 2 376.523 -0.485 20 0 GBADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000736660876 637586619 /nfs/dbraw/zinc/58/66/19/637586619.db2.gz NBBYCLATZJAFPT-OAHLLOKOSA-N 2 2 376.523 -0.485 20 0 GBADLP C[N@@H+](CCO)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801383 598349639 /nfs/dbraw/zinc/34/96/39/598349639.db2.gz JAUSIXSJCJYEAS-INIZCTEOSA-N 2 2 376.461 -0.005 20 0 GBADLP C[N@H+](CCO)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801383 598349637 /nfs/dbraw/zinc/34/96/37/598349637.db2.gz JAUSIXSJCJYEAS-INIZCTEOSA-N 2 2 376.461 -0.005 20 0 GBADLP C[N@@H+](CCO)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801386 598349767 /nfs/dbraw/zinc/34/97/67/598349767.db2.gz JAUSIXSJCJYEAS-MRXNPFEDSA-N 2 2 376.461 -0.005 20 0 GBADLP C[N@H+](CCO)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801386 598349765 /nfs/dbraw/zinc/34/97/65/598349765.db2.gz JAUSIXSJCJYEAS-MRXNPFEDSA-N 2 2 376.461 -0.005 20 0 GBADLP CN(c1ncccc1-c1nn[nH]n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000736855210 598592252 /nfs/dbraw/zinc/59/22/52/598592252.db2.gz AVSRFULSDPUOLF-UHFFFAOYSA-N 2 2 399.503 -0.064 20 0 GBADLP C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC(=O)N1CC[NH+](C)CC1 ZINC000736855289 599272804 /nfs/dbraw/zinc/27/28/04/599272804.db2.gz BGLPXYNBHNQVAG-UHFFFAOYSA-N 2 2 392.489 -0.037 20 0 GBADLP C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC(=O)N1CC[NH+](C)CC1 ZINC000736855289 599272802 /nfs/dbraw/zinc/27/28/02/599272802.db2.gz BGLPXYNBHNQVAG-UHFFFAOYSA-N 2 2 392.489 -0.037 20 0 GBADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC000737741984 598287037 /nfs/dbraw/zinc/28/70/37/598287037.db2.gz DLGGZMCPZATGBK-CYBMUJFWSA-N 2 2 384.448 -0.414 20 0 GBADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC000737741984 598287035 /nfs/dbraw/zinc/28/70/35/598287035.db2.gz DLGGZMCPZATGBK-CYBMUJFWSA-N 2 2 384.448 -0.414 20 0 GBADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC000737741988 598286516 /nfs/dbraw/zinc/28/65/16/598286516.db2.gz DLGGZMCPZATGBK-ZDUSSCGKSA-N 2 2 384.448 -0.414 20 0 GBADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC000737741988 598286514 /nfs/dbraw/zinc/28/65/14/598286514.db2.gz DLGGZMCPZATGBK-ZDUSSCGKSA-N 2 2 384.448 -0.414 20 0 GBADLP C[NH+]1CCC(CNC(=S)NCCNS(C)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000741877591 637626609 /nfs/dbraw/zinc/62/66/09/637626609.db2.gz VGTRBVKEGLEIMW-UHFFFAOYSA-N 2 2 391.607 -0.050 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOCCS(C)(=O)=O)C2)CC1 ZINC000743627214 637634141 /nfs/dbraw/zinc/63/41/41/637634141.db2.gz WMUXFTPDIZQWAX-AWEZNQCLSA-N 2 2 376.523 -0.485 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOCCS(C)(=O)=O)C2)CC1 ZINC000743627214 637634134 /nfs/dbraw/zinc/63/41/34/637634134.db2.gz WMUXFTPDIZQWAX-AWEZNQCLSA-N 2 2 376.523 -0.485 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOCCS(C)(=O)=O)C2)CC1 ZINC000743627215 637633769 /nfs/dbraw/zinc/63/37/69/637633769.db2.gz WMUXFTPDIZQWAX-CQSZACIVSA-N 2 2 376.523 -0.485 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOCCS(C)(=O)=O)C2)CC1 ZINC000743627215 637633762 /nfs/dbraw/zinc/63/37/62/637633762.db2.gz WMUXFTPDIZQWAX-CQSZACIVSA-N 2 2 376.523 -0.485 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOCCS(C)(=O)=O ZINC000745855182 637642432 /nfs/dbraw/zinc/64/24/32/637642432.db2.gz QTACBMMUOZFDFO-UHFFFAOYSA-N 2 2 378.539 -0.285 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOCCS(C)(=O)=O ZINC000745855182 637642406 /nfs/dbraw/zinc/64/24/06/637642406.db2.gz QTACBMMUOZFDFO-UHFFFAOYSA-N 2 2 378.539 -0.285 20 0 GBADLP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000760169748 1073864021 /nfs/dbraw/zinc/86/40/21/1073864021.db2.gz SBBTZFQANVUCRU-UHFFFAOYSA-N 2 2 390.550 -0.407 20 0 GBADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765849925 637744771 /nfs/dbraw/zinc/74/47/71/637744771.db2.gz VEXSTYXSRXFQKG-DOMZBBRYSA-N 2 2 393.531 -0.015 20 0 GBADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765849926 637744928 /nfs/dbraw/zinc/74/49/28/637744928.db2.gz VEXSTYXSRXFQKG-IUODEOHRSA-N 2 2 393.531 -0.015 20 0 GBADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765850201 637744883 /nfs/dbraw/zinc/74/48/83/637744883.db2.gz VEXSTYXSRXFQKG-SWLSCSKDSA-N 2 2 393.531 -0.015 20 0 GBADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765850204 637744983 /nfs/dbraw/zinc/74/49/83/637744983.db2.gz VEXSTYXSRXFQKG-WFASDCNBSA-N 2 2 393.531 -0.015 20 0 GBADLP CCNS(=O)(=O)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763757 637780667 /nfs/dbraw/zinc/78/06/67/637780667.db2.gz DUFFBHONSGYTLA-HNNXBMFYSA-N 2 2 375.539 -0.264 20 0 GBADLP CCNS(=O)(=O)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763757 637780662 /nfs/dbraw/zinc/78/06/62/637780662.db2.gz DUFFBHONSGYTLA-HNNXBMFYSA-N 2 2 375.539 -0.264 20 0 GBADLP CCNS(=O)(=O)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771763763 637780857 /nfs/dbraw/zinc/78/08/57/637780857.db2.gz DUFFBHONSGYTLA-OAHLLOKOSA-N 2 2 375.539 -0.264 20 0 GBADLP CCNS(=O)(=O)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771763763 637780854 /nfs/dbraw/zinc/78/08/54/637780854.db2.gz DUFFBHONSGYTLA-OAHLLOKOSA-N 2 2 375.539 -0.264 20 0 GBADLP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000774441415 637794520 /nfs/dbraw/zinc/79/45/20/637794520.db2.gz ZCVWAEHIHAOWFH-UHFFFAOYSA-N 2 2 376.523 -0.930 20 0 GBADLP COC(=O)CCC[NH+]1CCC([NH2+]CCS(=O)(=O)N2CCOCC2)CC1 ZINC000775627110 637800390 /nfs/dbraw/zinc/80/03/90/637800390.db2.gz LXXUZQBQUBVTBF-UHFFFAOYSA-N 2 2 377.507 -0.344 20 0 GBADLP CCN(CC)S(=O)(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000801508987 638369047 /nfs/dbraw/zinc/36/90/47/638369047.db2.gz XTSFBPUYDBGMEF-UHFFFAOYSA-N 2 2 375.539 -0.645 20 0 GBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000821266435 606700348 /nfs/dbraw/zinc/70/03/48/606700348.db2.gz CVRGLEWWPLLFQC-GFCCVEGCSA-N 2 2 390.496 -0.411 20 0 GBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000821266435 606700347 /nfs/dbraw/zinc/70/03/47/606700347.db2.gz CVRGLEWWPLLFQC-GFCCVEGCSA-N 2 2 390.496 -0.411 20 0 GBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000821266436 606700147 /nfs/dbraw/zinc/70/01/47/606700147.db2.gz CVRGLEWWPLLFQC-LBPRGKRZSA-N 2 2 390.496 -0.411 20 0 GBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000821266436 606700146 /nfs/dbraw/zinc/70/01/46/606700146.db2.gz CVRGLEWWPLLFQC-LBPRGKRZSA-N 2 2 390.496 -0.411 20 0 GBADLP C[NH+](C)C1CC[NH+](CCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821583333 606402686 /nfs/dbraw/zinc/40/26/86/606402686.db2.gz RIGYSZGEUGUNFF-UHFFFAOYSA-N 2 2 394.505 -0.048 20 0 GBADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583377 607362348 /nfs/dbraw/zinc/36/23/48/607362348.db2.gz SWVAMNBACRQKBW-UHFFFAOYSA-N 2 2 386.460 -0.099 20 0 GBADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821583429 607362473 /nfs/dbraw/zinc/36/24/73/607362473.db2.gz VBAWOVKYLPIPQW-UHFFFAOYSA-N 2 2 386.460 -0.099 20 0 GBADLP O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000823130995 946324817 /nfs/dbraw/zinc/32/48/17/946324817.db2.gz AVAVFWIERKDUHD-UHFFFAOYSA-N 2 2 397.447 -0.818 20 0 GBADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)C[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826073017 947421757 /nfs/dbraw/zinc/42/17/57/947421757.db2.gz ASNJMEQDONZJOX-LLVKDONJSA-N 2 2 377.453 -0.351 20 0 GBADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826073018 947422322 /nfs/dbraw/zinc/42/23/22/947422322.db2.gz ASNJMEQDONZJOX-NSHDSACASA-N 2 2 377.453 -0.351 20 0 GBADLP CS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826223483 947658619 /nfs/dbraw/zinc/65/86/19/947658619.db2.gz OAJOTFPZHMZONM-UHFFFAOYSA-N 2 2 379.490 -0.030 20 0 GBADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398960 608109561 /nfs/dbraw/zinc/10/95/61/608109561.db2.gz JILWDCLKRDMYLP-GOSISDBHSA-N 2 2 396.499 -0.099 20 0 GBADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398960 608109560 /nfs/dbraw/zinc/10/95/60/608109560.db2.gz JILWDCLKRDMYLP-GOSISDBHSA-N 2 2 396.499 -0.099 20 0 GBADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398961 608109690 /nfs/dbraw/zinc/10/96/90/608109690.db2.gz JILWDCLKRDMYLP-SFHVURJKSA-N 2 2 396.499 -0.099 20 0 GBADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398961 608109689 /nfs/dbraw/zinc/10/96/89/608109689.db2.gz JILWDCLKRDMYLP-SFHVURJKSA-N 2 2 396.499 -0.099 20 0 GBADLP COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000828202917 1073634668 /nfs/dbraw/zinc/63/46/68/1073634668.db2.gz OBSYPJJMRWARFA-AWEZNQCLSA-N 2 2 383.493 -0.572 20 0 GBADLP COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000828202917 1073634663 /nfs/dbraw/zinc/63/46/63/1073634663.db2.gz OBSYPJJMRWARFA-AWEZNQCLSA-N 2 2 383.493 -0.572 20 0 GBADLP COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000828202918 1073634759 /nfs/dbraw/zinc/63/47/59/1073634759.db2.gz OBSYPJJMRWARFA-CQSZACIVSA-N 2 2 383.493 -0.572 20 0 GBADLP COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000828202918 1073634757 /nfs/dbraw/zinc/63/47/57/1073634757.db2.gz OBSYPJJMRWARFA-CQSZACIVSA-N 2 2 383.493 -0.572 20 0 GBADLP CCO[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000846144743 638068389 /nfs/dbraw/zinc/06/83/89/638068389.db2.gz JYBFJOYSWPXSDB-UKRRQHHQSA-N 2 2 376.523 -0.499 20 0 GBADLP O=C(NCC[NH+]1CCSCC1)C(F)C(=O)NCC[NH+]1CCSCC1 ZINC000865747859 638261654 /nfs/dbraw/zinc/26/16/54/638261654.db2.gz WKQUYFCNAZHVHL-UHFFFAOYSA-N 2 2 378.539 -0.346 20 0 GBADLP Cn1ncc(I)c1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000872243513 638281069 /nfs/dbraw/zinc/28/10/69/638281069.db2.gz YBNOGUXUGDRHJR-LLVKDONJSA-N 2 2 393.273 -0.277 20 0 GBADLP Cn1ncc(I)c1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000872243514 638281085 /nfs/dbraw/zinc/28/10/85/638281085.db2.gz YBNOGUXUGDRHJR-NSHDSACASA-N 2 2 393.273 -0.277 20 0 GBADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000874450941 638286443 /nfs/dbraw/zinc/28/64/43/638286443.db2.gz TVMRWQSZZOBJAI-UHFFFAOYSA-N 2 2 375.535 -0.030 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC000876219244 638289973 /nfs/dbraw/zinc/28/99/73/638289973.db2.gz CFGHPIKEJONPNN-UHFFFAOYSA-N 2 2 377.555 -0.032 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC000876219244 638289967 /nfs/dbraw/zinc/28/99/67/638289967.db2.gz CFGHPIKEJONPNN-UHFFFAOYSA-N 2 2 377.555 -0.032 20 0 GBADLP CC[NH+]1CC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882765078 638312659 /nfs/dbraw/zinc/31/26/59/638312659.db2.gz OULZMKCMAZDNNK-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CC[NH+]1CC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882765078 638312651 /nfs/dbraw/zinc/31/26/51/638312651.db2.gz OULZMKCMAZDNNK-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CC[NH+]1CC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882765078 638312644 /nfs/dbraw/zinc/31/26/44/638312644.db2.gz OULZMKCMAZDNNK-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CC[NH+]1CC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1CC ZINC000882765078 638312639 /nfs/dbraw/zinc/31/26/39/638312639.db2.gz OULZMKCMAZDNNK-GASCZTMLSA-N 2 2 396.579 -0.596 20 0 GBADLP CC[NH+]1CC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882765079 638312211 /nfs/dbraw/zinc/31/22/11/638312211.db2.gz OULZMKCMAZDNNK-GJZGRUSLSA-N 2 2 396.579 -0.596 20 0 GBADLP CC[NH+]1CC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882765079 638312203 /nfs/dbraw/zinc/31/22/03/638312203.db2.gz OULZMKCMAZDNNK-GJZGRUSLSA-N 2 2 396.579 -0.596 20 0 GBADLP CC[NH+]1CC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882765080 638312305 /nfs/dbraw/zinc/31/23/05/638312305.db2.gz OULZMKCMAZDNNK-HUUCEWRRSA-N 2 2 396.579 -0.596 20 0 GBADLP CC[NH+]1CC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1CC ZINC000882765080 638312298 /nfs/dbraw/zinc/31/22/98/638312298.db2.gz OULZMKCMAZDNNK-HUUCEWRRSA-N 2 2 396.579 -0.596 20 0 GBADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000884089662 638315956 /nfs/dbraw/zinc/31/59/56/638315956.db2.gz WOJFYNGFQQRTNJ-HNNXBMFYSA-N 2 2 375.539 -0.743 20 0 GBADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCO1 ZINC000891471160 1072169043 /nfs/dbraw/zinc/16/90/43/1072169043.db2.gz HMKWFXMUOOYXBE-KFWWJZLASA-N 2 2 381.477 -0.326 20 0 GBADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCO1 ZINC000891471160 1072169036 /nfs/dbraw/zinc/16/90/36/1072169036.db2.gz HMKWFXMUOOYXBE-KFWWJZLASA-N 2 2 381.477 -0.326 20 0 GBADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCO1 ZINC000891471165 1072168827 /nfs/dbraw/zinc/16/88/27/1072168827.db2.gz HMKWFXMUOOYXBE-ZNMIVQPWSA-N 2 2 381.477 -0.326 20 0 GBADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCO1 ZINC000891471165 1072168815 /nfs/dbraw/zinc/16/88/15/1072168815.db2.gz HMKWFXMUOOYXBE-ZNMIVQPWSA-N 2 2 381.477 -0.326 20 0 GBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891506189 1072172805 /nfs/dbraw/zinc/17/28/05/1072172805.db2.gz FHVKPTPFEBZEHK-KFWWJZLASA-N 2 2 381.477 -0.326 20 0 GBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891506189 1072172800 /nfs/dbraw/zinc/17/28/00/1072172800.db2.gz FHVKPTPFEBZEHK-KFWWJZLASA-N 2 2 381.477 -0.326 20 0 GBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891506190 1072172558 /nfs/dbraw/zinc/17/25/58/1072172558.db2.gz FHVKPTPFEBZEHK-ZNMIVQPWSA-N 2 2 381.477 -0.326 20 0 GBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891506190 1072172552 /nfs/dbraw/zinc/17/25/52/1072172552.db2.gz FHVKPTPFEBZEHK-ZNMIVQPWSA-N 2 2 381.477 -0.326 20 0 GBADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCOCC1 ZINC000891517943 1072174624 /nfs/dbraw/zinc/17/46/24/1072174624.db2.gz NIXOCFDADRYDCO-GCSSGZNBSA-N 2 2 381.477 -0.328 20 0 GBADLP C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H](C)[NH+]1CCOCC1 ZINC000891517944 1072174393 /nfs/dbraw/zinc/17/43/93/1072174393.db2.gz NIXOCFDADRYDCO-GVRJEKJASA-N 2 2 381.477 -0.328 20 0 GBADLP C[C@H]([C@H](C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCOCC1 ZINC000891517945 1072174556 /nfs/dbraw/zinc/17/45/56/1072174556.db2.gz NIXOCFDADRYDCO-NPJQDHAYSA-N 2 2 381.477 -0.328 20 0 GBADLP C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@H](C)[NH+]1CCOCC1 ZINC000891517946 1072174487 /nfs/dbraw/zinc/17/44/87/1072174487.db2.gz NIXOCFDADRYDCO-RBZJEDDUSA-N 2 2 381.477 -0.328 20 0 GBADLP O=S(=O)(CCNc1cc[nH+]cc1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000891816041 1072222590 /nfs/dbraw/zinc/22/25/90/1072222590.db2.gz JUMQEYOPZDLPHH-UHFFFAOYSA-N 2 2 377.470 -0.045 20 0 GBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000891927339 1072246122 /nfs/dbraw/zinc/24/61/22/1072246122.db2.gz SLQNLVRPZSHEAZ-UHFFFAOYSA-N 2 2 382.553 -0.134 20 0 GBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000891927339 1072246112 /nfs/dbraw/zinc/24/61/12/1072246112.db2.gz SLQNLVRPZSHEAZ-UHFFFAOYSA-N 2 2 382.553 -0.134 20 0 GBADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970373 1072273892 /nfs/dbraw/zinc/27/38/92/1072273892.db2.gz JMBACXKCQZNVSK-GOSISDBHSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970373 1072273882 /nfs/dbraw/zinc/27/38/82/1072273882.db2.gz JMBACXKCQZNVSK-GOSISDBHSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970374 1072273619 /nfs/dbraw/zinc/27/36/19/1072273619.db2.gz JMBACXKCQZNVSK-SFHVURJKSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970374 1072273614 /nfs/dbraw/zinc/27/36/14/1072273614.db2.gz JMBACXKCQZNVSK-SFHVURJKSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000891970469 1072273282 /nfs/dbraw/zinc/27/32/82/1072273282.db2.gz KWFDBILQPMNJIF-GOSISDBHSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000891970469 1072273272 /nfs/dbraw/zinc/27/32/72/1072273272.db2.gz KWFDBILQPMNJIF-GOSISDBHSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000891970471 1072273381 /nfs/dbraw/zinc/27/33/81/1072273381.db2.gz KWFDBILQPMNJIF-SFHVURJKSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000891970471 1072273372 /nfs/dbraw/zinc/27/33/72/1072273372.db2.gz KWFDBILQPMNJIF-SFHVURJKSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970768 1072274754 /nfs/dbraw/zinc/27/47/54/1072274754.db2.gz NTBCCZARNLBGAJ-GOSISDBHSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970768 1072274749 /nfs/dbraw/zinc/27/47/49/1072274749.db2.gz NTBCCZARNLBGAJ-GOSISDBHSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970769 1072274583 /nfs/dbraw/zinc/27/45/83/1072274583.db2.gz NTBCCZARNLBGAJ-SFHVURJKSA-N 2 2 389.500 -0.073 20 0 GBADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970769 1072274574 /nfs/dbraw/zinc/27/45/74/1072274574.db2.gz NTBCCZARNLBGAJ-SFHVURJKSA-N 2 2 389.500 -0.073 20 0 GBADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)cc2)CC1 ZINC000892221318 1072325554 /nfs/dbraw/zinc/32/55/54/1072325554.db2.gz SAZQAENXPTXTLC-UHFFFAOYSA-N 2 2 391.516 -0.197 20 0 GBADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)cc2)CC1 ZINC000892221318 1072325541 /nfs/dbraw/zinc/32/55/41/1072325541.db2.gz SAZQAENXPTXTLC-UHFFFAOYSA-N 2 2 391.516 -0.197 20 0 GBADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000892559353 1072949350 /nfs/dbraw/zinc/94/93/50/1072949350.db2.gz KGELHOVIUUCGKL-GASCZTMLSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000892559353 1072949340 /nfs/dbraw/zinc/94/93/40/1072949340.db2.gz KGELHOVIUUCGKL-GASCZTMLSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000892576061 1072957691 /nfs/dbraw/zinc/95/76/91/1072957691.db2.gz KGELHOVIUUCGKL-SHTZXODSSA-N 2 2 375.477 -0.118 20 0 GBADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000892576061 1072957682 /nfs/dbraw/zinc/95/76/82/1072957682.db2.gz KGELHOVIUUCGKL-SHTZXODSSA-N 2 2 375.477 -0.118 20 0 GBADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892614754 1072977893 /nfs/dbraw/zinc/97/78/93/1072977893.db2.gz MSSZYFJPCCHMSJ-KRWDZBQOSA-N 2 2 393.513 -0.198 20 0 GBADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892614754 1072977889 /nfs/dbraw/zinc/97/78/89/1072977889.db2.gz MSSZYFJPCCHMSJ-KRWDZBQOSA-N 2 2 393.513 -0.198 20 0 GBADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892614772 1072978194 /nfs/dbraw/zinc/97/81/94/1072978194.db2.gz MSSZYFJPCCHMSJ-QGZVFWFLSA-N 2 2 393.513 -0.198 20 0 GBADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892614772 1072978188 /nfs/dbraw/zinc/97/81/88/1072978188.db2.gz MSSZYFJPCCHMSJ-QGZVFWFLSA-N 2 2 393.513 -0.198 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCCC3)C2)CC1 ZINC000893021495 1073205888 /nfs/dbraw/zinc/20/58/88/1073205888.db2.gz GIXQSFDGDJXZOY-HNNXBMFYSA-N 2 2 387.550 -0.120 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCCC3)C2)CC1 ZINC000893021495 1073205883 /nfs/dbraw/zinc/20/58/83/1073205883.db2.gz GIXQSFDGDJXZOY-HNNXBMFYSA-N 2 2 387.550 -0.120 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCCC3)C2)CC1 ZINC000893021496 1073205999 /nfs/dbraw/zinc/20/59/99/1073205999.db2.gz GIXQSFDGDJXZOY-OAHLLOKOSA-N 2 2 387.550 -0.120 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCCC3)C2)CC1 ZINC000893021496 1073205996 /nfs/dbraw/zinc/20/59/96/1073205996.db2.gz GIXQSFDGDJXZOY-OAHLLOKOSA-N 2 2 387.550 -0.120 20 0 GBADLP CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000893023825 1073205840 /nfs/dbraw/zinc/20/58/40/1073205840.db2.gz QZORRRUGLIKYIC-BFYDXBDKSA-N 2 2 397.520 -0.097 20 0 GBADLP CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000893023825 1073205834 /nfs/dbraw/zinc/20/58/34/1073205834.db2.gz QZORRRUGLIKYIC-BFYDXBDKSA-N 2 2 397.520 -0.097 20 0 GBADLP CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000893023827 1073205903 /nfs/dbraw/zinc/20/59/03/1073205903.db2.gz QZORRRUGLIKYIC-HLLBOEOZSA-N 2 2 397.520 -0.097 20 0 GBADLP CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000893023827 1073205899 /nfs/dbraw/zinc/20/58/99/1073205899.db2.gz QZORRRUGLIKYIC-HLLBOEOZSA-N 2 2 397.520 -0.097 20 0 GBADLP CCOC(=O)N1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](CO)C1 ZINC000893023829 1073205964 /nfs/dbraw/zinc/20/59/64/1073205964.db2.gz QZORRRUGLIKYIC-INMHGKMJSA-N 2 2 397.520 -0.097 20 0 GBADLP CCOC(=O)N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](CO)C1 ZINC000893023829 1073205961 /nfs/dbraw/zinc/20/59/61/1073205961.db2.gz QZORRRUGLIKYIC-INMHGKMJSA-N 2 2 397.520 -0.097 20 0 GBADLP CCOC(=O)N1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](CO)C1 ZINC000893023831 1073205980 /nfs/dbraw/zinc/20/59/80/1073205980.db2.gz QZORRRUGLIKYIC-VYDXJSESSA-N 2 2 397.520 -0.097 20 0 GBADLP CCOC(=O)N1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](CO)C1 ZINC000893023831 1073205977 /nfs/dbraw/zinc/20/59/77/1073205977.db2.gz QZORRRUGLIKYIC-VYDXJSESSA-N 2 2 397.520 -0.097 20 0 GBADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025179 1073206229 /nfs/dbraw/zinc/20/62/29/1073206229.db2.gz YLDMRZROARPWHP-ILXRZTDVSA-N 2 2 387.550 -0.279 20 0 GBADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025179 1073206219 /nfs/dbraw/zinc/20/62/19/1073206219.db2.gz YLDMRZROARPWHP-ILXRZTDVSA-N 2 2 387.550 -0.279 20 0 GBADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025181 1073206114 /nfs/dbraw/zinc/20/61/14/1073206114.db2.gz YLDMRZROARPWHP-QLFBSQMISA-N 2 2 387.550 -0.279 20 0 GBADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025181 1073206100 /nfs/dbraw/zinc/20/61/00/1073206100.db2.gz YLDMRZROARPWHP-QLFBSQMISA-N 2 2 387.550 -0.279 20 0 GBADLP C[NH+]1CCC(CNC(=O)N2CC3(C2)NC(=O)NC3=O)([NH+]2CCCCC2)CC1 ZINC000893267973 1073286565 /nfs/dbraw/zinc/28/65/65/1073286565.db2.gz PVRZAVOGZRUVBA-UHFFFAOYSA-N 2 2 378.477 -0.460 20 0 GBADLP C[NH+]1C[C@H]2CN(c3nc(NC4CC4)[nH+]c(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)n3)C[C@H]2C1 ZINC000893548801 1073547230 /nfs/dbraw/zinc/54/72/30/1073547230.db2.gz KCBQGSPMEBGRPZ-GEEKYZPCSA-N 3 2 384.532 -0.137 20 0 GBADLP C[NH+]1C[C@H]2CN(c3nc(NC4CC4)[nH+]c(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)n3)C[C@H]2C1 ZINC000893548801 1073547225 /nfs/dbraw/zinc/54/72/25/1073547225.db2.gz KCBQGSPMEBGRPZ-GEEKYZPCSA-N 3 2 384.532 -0.137 20 0 GBADLP C[NH+]1C[C@H]2CN(c3nc(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)nc(NC4CC4)[nH+]3)C[C@H]2C1 ZINC000893548801 1073547218 /nfs/dbraw/zinc/54/72/18/1073547218.db2.gz KCBQGSPMEBGRPZ-GEEKYZPCSA-N 3 2 384.532 -0.137 20 0 GBADLP C[NH+]1C[C@H]2CN(c3nc(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)nc(NC4CC4)[nH+]3)C[C@H]2C1 ZINC000893548801 1073547211 /nfs/dbraw/zinc/54/72/11/1073547211.db2.gz KCBQGSPMEBGRPZ-GEEKYZPCSA-N 3 2 384.532 -0.137 20 0 GBADLP CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+](C)CC1 ZINC000895297299 1073312541 /nfs/dbraw/zinc/31/25/41/1073312541.db2.gz CASVZAAKOTXKTN-UHFFFAOYSA-N 2 2 383.537 -0.243 20 0 GBADLP CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+](C)CC1 ZINC000895297299 1073312535 /nfs/dbraw/zinc/31/25/35/1073312535.db2.gz CASVZAAKOTXKTN-UHFFFAOYSA-N 2 2 383.537 -0.243 20 0 GBADLP O=C(CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000896014373 1073329299 /nfs/dbraw/zinc/32/92/99/1073329299.db2.gz ZIHNQHQLXSWDDQ-KRWDZBQOSA-N 2 2 387.484 -0.043 20 0 GBADLP O=C(CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000896014374 1073329898 /nfs/dbraw/zinc/32/98/98/1073329898.db2.gz ZIHNQHQLXSWDDQ-QGZVFWFLSA-N 2 2 387.484 -0.043 20 0 GBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000896417096 1073340814 /nfs/dbraw/zinc/34/08/14/1073340814.db2.gz OWUJSMPLAJPOQE-INIZCTEOSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000896417097 1073340935 /nfs/dbraw/zinc/34/09/35/1073340935.db2.gz OWUJSMPLAJPOQE-MRXNPFEDSA-N 2 2 380.489 -0.854 20 0 GBADLP CN1CCN(c2cncc(N3CCN(C)CC[N@H+](C)CC3)n2)CC[NH+](C)CC1 ZINC000897094503 1073480046 /nfs/dbraw/zinc/48/00/46/1073480046.db2.gz LEXVOZWITKZDMQ-UHFFFAOYSA-N 2 2 390.580 -0.156 20 0 GBADLP CN1CCN(c2cncc(N3CCN(C)CC[N@@H+](C)CC3)n2)CC[NH+](C)CC1 ZINC000897094503 1073480037 /nfs/dbraw/zinc/48/00/37/1073480037.db2.gz LEXVOZWITKZDMQ-UHFFFAOYSA-N 2 2 390.580 -0.156 20 0 GBADLP CN1CCN(c2cc(N3CCN(C)CC[N@H+](C)CC3)ncn2)CC[NH+](C)CC1 ZINC000897095345 1073479676 /nfs/dbraw/zinc/47/96/76/1073479676.db2.gz RQPUKIYTEKFTAB-UHFFFAOYSA-N 2 2 390.580 -0.156 20 0 GBADLP CN1CCN(c2cc(N3CCN(C)CC[N@@H+](C)CC3)ncn2)CC[NH+](C)CC1 ZINC000897095345 1073479668 /nfs/dbraw/zinc/47/96/68/1073479668.db2.gz RQPUKIYTEKFTAB-UHFFFAOYSA-N 2 2 390.580 -0.156 20 0 GBADLP CN1CCN(c2ccnc(N3CCN(C)CC[N@@H+](C)CC3)n2)CC[NH+](C)CC1 ZINC000897095444 1073479996 /nfs/dbraw/zinc/47/99/96/1073479996.db2.gz UDOOPRADOZOCPU-UHFFFAOYSA-N 2 2 390.580 -0.156 20 0 GBADLP CN1CCN(c2ccnc(N3CCN(C)CC[N@H+](C)CC3)n2)CC[NH+](C)CC1 ZINC000897095444 1073479991 /nfs/dbraw/zinc/47/99/91/1073479991.db2.gz UDOOPRADOZOCPU-UHFFFAOYSA-N 2 2 390.580 -0.156 20 0 GBADLP CN1CCN(c2nccc(N3CCN(C)CC[N@H+](C)CC3)n2)CC[NH+](C)CC1 ZINC000897095444 1073479989 /nfs/dbraw/zinc/47/99/89/1073479989.db2.gz UDOOPRADOZOCPU-UHFFFAOYSA-N 2 2 390.580 -0.156 20 0 GBADLP CN1CCN(c2nccc(N3CCN(C)CC[N@@H+](C)CC3)n2)CC[NH+](C)CC1 ZINC000897095444 1073479984 /nfs/dbraw/zinc/47/99/84/1073479984.db2.gz UDOOPRADOZOCPU-UHFFFAOYSA-N 2 2 390.580 -0.156 20 0 GBADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897318645 1073525863 /nfs/dbraw/zinc/52/58/63/1073525863.db2.gz LMJKFASAMCIJAY-KRWDZBQOSA-N 2 2 392.504 -0.698 20 0 GBADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000897318645 1073525854 /nfs/dbraw/zinc/52/58/54/1073525854.db2.gz LMJKFASAMCIJAY-KRWDZBQOSA-N 2 2 392.504 -0.698 20 0 GBADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897318646 1073525630 /nfs/dbraw/zinc/52/56/30/1073525630.db2.gz LMJKFASAMCIJAY-QGZVFWFLSA-N 2 2 392.504 -0.698 20 0 GBADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000897318646 1073525619 /nfs/dbraw/zinc/52/56/19/1073525619.db2.gz LMJKFASAMCIJAY-QGZVFWFLSA-N 2 2 392.504 -0.698 20 0 GBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000897405195 1073886076 /nfs/dbraw/zinc/88/60/76/1073886076.db2.gz VKECHNODGNPJPO-INIZCTEOSA-N 2 2 389.504 -0.685 20 0 GBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000897405196 1073886317 /nfs/dbraw/zinc/88/63/17/1073886317.db2.gz VKECHNODGNPJPO-MRXNPFEDSA-N 2 2 389.504 -0.685 20 0 GBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897470833 1073942108 /nfs/dbraw/zinc/94/21/08/1073942108.db2.gz DEJRUDAMGGIENP-UHFFFAOYSA-N 2 2 381.521 -0.354 20 0 GBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897470833 1073942103 /nfs/dbraw/zinc/94/21/03/1073942103.db2.gz DEJRUDAMGGIENP-UHFFFAOYSA-N 2 2 381.521 -0.354 20 0 GBADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000905343107 637441536 /nfs/dbraw/zinc/44/15/36/637441536.db2.gz HPHANJVBANZIES-CYBMUJFWSA-N 2 2 388.456 -0.536 20 0 GBADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000905343109 637441626 /nfs/dbraw/zinc/44/16/26/637441626.db2.gz HPHANJVBANZIES-ZDUSSCGKSA-N 2 2 388.456 -0.536 20 0 GBADLP CCO[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+](C)C ZINC000917789987 637538143 /nfs/dbraw/zinc/53/81/43/637538143.db2.gz ZQXSAZSUMLOCNE-HNNXBMFYSA-N 2 2 378.539 -0.239 20 0 GBADLP CCO[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+](C)C ZINC000917789988 637538012 /nfs/dbraw/zinc/53/80/12/637538012.db2.gz ZQXSAZSUMLOCNE-OAHLLOKOSA-N 2 2 378.539 -0.239 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)C2)CC1 ZINC000918905897 637543749 /nfs/dbraw/zinc/54/37/49/637543749.db2.gz IXAQPIVGAAGXPM-CYBMUJFWSA-N 2 2 375.539 -0.218 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)C2)CC1 ZINC000918905897 637543737 /nfs/dbraw/zinc/54/37/37/637543737.db2.gz IXAQPIVGAAGXPM-CYBMUJFWSA-N 2 2 375.539 -0.218 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)C2)CC1 ZINC000918905901 637543510 /nfs/dbraw/zinc/54/35/10/637543510.db2.gz IXAQPIVGAAGXPM-ZDUSSCGKSA-N 2 2 375.539 -0.218 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)C2)CC1 ZINC000918905901 637543505 /nfs/dbraw/zinc/54/35/05/637543505.db2.gz IXAQPIVGAAGXPM-ZDUSSCGKSA-N 2 2 375.539 -0.218 20 0 GBADLP C[NH+]1CC[C@H]1CNS(=O)(=O)CCCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921411160 637559227 /nfs/dbraw/zinc/55/92/27/637559227.db2.gz MLERDAXPDITHCB-KBPBESRZSA-N 2 2 382.552 -0.986 20 0 GBADLP C[NH+]1CC[C@H]1CNS(=O)(=O)CCCCS(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921411160 637559223 /nfs/dbraw/zinc/55/92/23/637559223.db2.gz MLERDAXPDITHCB-KBPBESRZSA-N 2 2 382.552 -0.986 20 0 GBADLP C[NH+]1CC[C@@H]1CNS(=O)(=O)CCCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921411162 637559025 /nfs/dbraw/zinc/55/90/25/637559025.db2.gz MLERDAXPDITHCB-ZIAGYGMSSA-N 2 2 382.552 -0.986 20 0 GBADLP C[NH+]1CC[C@@H]1CNS(=O)(=O)CCCCS(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921411162 637559021 /nfs/dbraw/zinc/55/90/21/637559021.db2.gz MLERDAXPDITHCB-ZIAGYGMSSA-N 2 2 382.552 -0.986 20 0 GBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCCS(N)(=O)=O)CC2)CC1 ZINC000923207059 637604965 /nfs/dbraw/zinc/60/49/65/637604965.db2.gz YGEACXBBKZGODJ-UHFFFAOYSA-N 2 2 375.539 -0.133 20 0 GBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCCS(N)(=O)=O)CC2)CC1 ZINC000923207059 637604962 /nfs/dbraw/zinc/60/49/62/637604962.db2.gz YGEACXBBKZGODJ-UHFFFAOYSA-N 2 2 375.539 -0.133 20 0 GBADLP C[NH+]1CCN(CCCS(=O)(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC000923680350 638296432 /nfs/dbraw/zinc/29/64/32/638296432.db2.gz WQHDCFOOBBZUKJ-UHFFFAOYSA-N 2 2 375.583 -0.381 20 0 GBADLP O=C1O[C@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)CC12CC[NH2+]CC2 ZINC000923685237 638316748 /nfs/dbraw/zinc/31/67/48/638316748.db2.gz UIRXHZATMZLSGX-AWEZNQCLSA-N 2 2 375.491 -0.687 20 0 GBADLP O=C1O[C@@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)CC12CC[NH2+]CC2 ZINC000923685239 638316570 /nfs/dbraw/zinc/31/65/70/638316570.db2.gz UIRXHZATMZLSGX-CQSZACIVSA-N 2 2 375.491 -0.687 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924613084 1073185629 /nfs/dbraw/zinc/18/56/29/1073185629.db2.gz APWMWNAPPVLCEQ-HNNXBMFYSA-N 2 2 386.518 -0.098 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924613097 1073185830 /nfs/dbraw/zinc/18/58/30/1073185830.db2.gz APWMWNAPPVLCEQ-OAHLLOKOSA-N 2 2 386.518 -0.098 20 0 GBADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000932616091 638344158 /nfs/dbraw/zinc/34/41/58/638344158.db2.gz LZHMLVOZTHYVGO-GASCZTMLSA-N 2 2 386.587 -0.048 20 0 GBADLP COc1nn(C)cc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000933816715 1072229418 /nfs/dbraw/zinc/22/94/18/1072229418.db2.gz MVVXVCZSOKGYAD-UHFFFAOYSA-N 2 2 380.493 -0.471 20 0 GBADLP COc1nn(C)cc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000933816715 1072229414 /nfs/dbraw/zinc/22/94/14/1072229414.db2.gz MVVXVCZSOKGYAD-UHFFFAOYSA-N 2 2 380.493 -0.471 20 0 GBADLP CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000934037638 1072263014 /nfs/dbraw/zinc/26/30/14/1072263014.db2.gz OEYUZQGCMANQFE-HUUCEWRRSA-N 2 2 389.460 -0.595 20 0 GBADLP CO[C@@H]1CC[C@@H]1[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@@H]2OC)CC1 ZINC000934124204 1072284848 /nfs/dbraw/zinc/28/48/48/1072284848.db2.gz CPZKOYQKTSRAII-FZDBZEDMSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@@H]1[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CC[C@@H]2OC)CC1 ZINC000934124204 1072284843 /nfs/dbraw/zinc/28/48/43/1072284843.db2.gz CPZKOYQKTSRAII-FZDBZEDMSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[C@@H]2OC)CC1 ZINC000934124204 1072284834 /nfs/dbraw/zinc/28/48/34/1072284834.db2.gz CPZKOYQKTSRAII-FZDBZEDMSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H]2CC[C@@H]2OC)CC1 ZINC000934124204 1072284826 /nfs/dbraw/zinc/28/48/26/1072284826.db2.gz CPZKOYQKTSRAII-FZDBZEDMSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@@H]1[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@@H]2OC)CC1 ZINC000934124209 1072284459 /nfs/dbraw/zinc/28/44/59/1072284459.db2.gz CPZKOYQKTSRAII-XLAORIBOSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@@H]1[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@@H]2OC)CC1 ZINC000934124209 1072284453 /nfs/dbraw/zinc/28/44/53/1072284453.db2.gz CPZKOYQKTSRAII-XLAORIBOSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[C@@H]2OC)CC1 ZINC000934124209 1072284448 /nfs/dbraw/zinc/28/44/48/1072284448.db2.gz CPZKOYQKTSRAII-XLAORIBOSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[C@@H]2OC)CC1 ZINC000934124209 1072284435 /nfs/dbraw/zinc/28/44/35/1072284435.db2.gz CPZKOYQKTSRAII-XLAORIBOSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[C@H]2OC)CC1 ZINC000934124212 1072284801 /nfs/dbraw/zinc/28/48/01/1072284801.db2.gz CPZKOYQKTSRAII-XMTFNYHQSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@H]2CC[C@H]2OC)CC1 ZINC000934124212 1072284798 /nfs/dbraw/zinc/28/47/98/1072284798.db2.gz CPZKOYQKTSRAII-XMTFNYHQSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@H]1[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@H]2OC)CC1 ZINC000934124212 1072284792 /nfs/dbraw/zinc/28/47/92/1072284792.db2.gz CPZKOYQKTSRAII-XMTFNYHQSA-N 2 2 396.532 -0.124 20 0 GBADLP CO[C@@H]1CC[C@H]1[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H]2OC)CC1 ZINC000934124212 1072284784 /nfs/dbraw/zinc/28/47/84/1072284784.db2.gz CPZKOYQKTSRAII-XMTFNYHQSA-N 2 2 396.532 -0.124 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)O1 ZINC000947249615 1072873619 /nfs/dbraw/zinc/87/36/19/1072873619.db2.gz KQSWEJIECUMHDU-MUIFIZLQSA-N 2 2 382.505 -0.468 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)O1 ZINC000947249615 1072873613 /nfs/dbraw/zinc/87/36/13/1072873613.db2.gz KQSWEJIECUMHDU-MUIFIZLQSA-N 2 2 382.505 -0.468 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)O1 ZINC000947249615 1072873606 /nfs/dbraw/zinc/87/36/06/1072873606.db2.gz KQSWEJIECUMHDU-MUIFIZLQSA-N 2 2 382.505 -0.468 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)O1 ZINC000947249615 1072873599 /nfs/dbraw/zinc/87/35/99/1072873599.db2.gz KQSWEJIECUMHDU-MUIFIZLQSA-N 2 2 382.505 -0.468 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)O1 ZINC000969223863 1072150797 /nfs/dbraw/zinc/15/07/97/1072150797.db2.gz URVGUNPZRDGOFL-VDNDLQMASA-N 2 2 387.440 -0.645 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)O1 ZINC000969223863 1072150793 /nfs/dbraw/zinc/15/07/93/1072150793.db2.gz URVGUNPZRDGOFL-VDNDLQMASA-N 2 2 387.440 -0.645 20 0 GBADLP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2O)CC1 ZINC000970073980 1072245219 /nfs/dbraw/zinc/24/52/19/1072245219.db2.gz ASXKFCCBPXFLPP-WCXIOVBPSA-N 2 2 382.505 -0.875 20 0 GBADLP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2O)CC1 ZINC000970073980 1072245216 /nfs/dbraw/zinc/24/52/16/1072245216.db2.gz ASXKFCCBPXFLPP-WCXIOVBPSA-N 2 2 382.505 -0.875 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970657333 1072361527 /nfs/dbraw/zinc/36/15/27/1072361527.db2.gz QOOGUARNRQNROG-ANQUJSFKSA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970657333 1072361525 /nfs/dbraw/zinc/36/15/25/1072361525.db2.gz QOOGUARNRQNROG-ANQUJSFKSA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000970689561 1072381890 /nfs/dbraw/zinc/38/18/90/1072381890.db2.gz VJAHKOLYUYEONR-ANQUJSFKSA-N 2 2 375.473 -0.447 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000970695811 1072385417 /nfs/dbraw/zinc/38/54/17/1072385417.db2.gz DWFPGBGUTCPZLL-ANQUJSFKSA-N 2 2 387.484 -0.160 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000970696832 1072385594 /nfs/dbraw/zinc/38/55/94/1072385594.db2.gz WHWFCRKLUDIOHP-ANQUJSFKSA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000970696832 1072385588 /nfs/dbraw/zinc/38/55/88/1072385588.db2.gz WHWFCRKLUDIOHP-ANQUJSFKSA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000970698071 1072384545 /nfs/dbraw/zinc/38/45/45/1072384545.db2.gz HQPYMYDLODHNLU-ANQUJSFKSA-N 2 2 375.473 -0.304 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000970698071 1072384538 /nfs/dbraw/zinc/38/45/38/1072384538.db2.gz HQPYMYDLODHNLU-ANQUJSFKSA-N 2 2 375.473 -0.304 20 0 GBADLP CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)CC1 ZINC000970704317 1072388494 /nfs/dbraw/zinc/38/84/94/1072388494.db2.gz OMELKRYVGBRESE-KONPQCLYSA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000970707526 1072389987 /nfs/dbraw/zinc/38/99/87/1072389987.db2.gz ZGDJWWYKFVUMPU-KONPQCLYSA-N 2 2 389.500 -0.057 20 0 GBADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC000972257126 1072368658 /nfs/dbraw/zinc/36/86/58/1072368658.db2.gz MIILFIQYWNWGLV-MWQQHZPXSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC000972257126 1072368656 /nfs/dbraw/zinc/36/86/56/1072368656.db2.gz MIILFIQYWNWGLV-MWQQHZPXSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000972854804 1072669271 /nfs/dbraw/zinc/66/92/71/1072669271.db2.gz FJVSILMNCAAWTR-QBPKDAKJSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000972854804 1072669265 /nfs/dbraw/zinc/66/92/65/1072669265.db2.gz FJVSILMNCAAWTR-QBPKDAKJSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000972855066 1072671182 /nfs/dbraw/zinc/67/11/82/1072671182.db2.gz KDPDLYKBSUBXTN-MWQQHZPXSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000972855066 1072671180 /nfs/dbraw/zinc/67/11/80/1072671180.db2.gz KDPDLYKBSUBXTN-MWQQHZPXSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC000974543787 1073353997 /nfs/dbraw/zinc/35/39/97/1073353997.db2.gz NYMRBZHPOOUPDV-QBPKDAKJSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC000974543787 1073353982 /nfs/dbraw/zinc/35/39/82/1073353982.db2.gz NYMRBZHPOOUPDV-QBPKDAKJSA-N 2 2 375.473 -0.030 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)O1 ZINC000978962387 1073537203 /nfs/dbraw/zinc/53/72/03/1073537203.db2.gz GLEFKAUNALOPAE-NWHWRWDZSA-N 2 2 382.505 -0.564 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)O1 ZINC000978962387 1073537194 /nfs/dbraw/zinc/53/71/94/1073537194.db2.gz GLEFKAUNALOPAE-NWHWRWDZSA-N 2 2 382.505 -0.564 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)O1 ZINC000978962387 1073537186 /nfs/dbraw/zinc/53/71/86/1073537186.db2.gz GLEFKAUNALOPAE-NWHWRWDZSA-N 2 2 382.505 -0.564 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)O1 ZINC000978962387 1073537178 /nfs/dbraw/zinc/53/71/78/1073537178.db2.gz GLEFKAUNALOPAE-NWHWRWDZSA-N 2 2 382.505 -0.564 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)O1 ZINC000979977011 1073566908 /nfs/dbraw/zinc/56/69/08/1073566908.db2.gz GLEFKAUNALOPAE-HDKMNVHJSA-N 2 2 382.505 -0.564 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)O1 ZINC000979977011 1073566899 /nfs/dbraw/zinc/56/68/99/1073566899.db2.gz GLEFKAUNALOPAE-HDKMNVHJSA-N 2 2 382.505 -0.564 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)O1 ZINC000979977011 1073566890 /nfs/dbraw/zinc/56/68/90/1073566890.db2.gz GLEFKAUNALOPAE-HDKMNVHJSA-N 2 2 382.505 -0.564 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)O1 ZINC000979977011 1073566881 /nfs/dbraw/zinc/56/68/81/1073566881.db2.gz GLEFKAUNALOPAE-HDKMNVHJSA-N 2 2 382.505 -0.564 20 0 GBADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000983038711 1072332354 /nfs/dbraw/zinc/33/23/54/1072332354.db2.gz UWLUZGGNVGDTTD-QBPKDAKJSA-N 2 2 393.488 -0.418 20 0 GBADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000983038711 1072332349 /nfs/dbraw/zinc/33/23/49/1072332349.db2.gz UWLUZGGNVGDTTD-QBPKDAKJSA-N 2 2 393.488 -0.418 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)O1 ZINC000986322795 1073848833 /nfs/dbraw/zinc/84/88/33/1073848833.db2.gz BAANXIUVXCOHSN-WCXIOVBPSA-N 2 2 375.473 -0.091 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)O1 ZINC000986322795 1073848816 /nfs/dbraw/zinc/84/88/16/1073848816.db2.gz BAANXIUVXCOHSN-WCXIOVBPSA-N 2 2 375.473 -0.091 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)O1 ZINC000986338958 1073849847 /nfs/dbraw/zinc/84/98/47/1073849847.db2.gz NFAVVGAVRMOHQM-WCXIOVBPSA-N 2 2 375.473 -0.091 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)O1 ZINC000986338958 1073849836 /nfs/dbraw/zinc/84/98/36/1073849836.db2.gz NFAVVGAVRMOHQM-WCXIOVBPSA-N 2 2 375.473 -0.091 20 0 GBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC001021714711 1072493066 /nfs/dbraw/zinc/49/30/66/1072493066.db2.gz NGYUDCWZBUSKDP-XLNGHYISSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC001021714711 1072493064 /nfs/dbraw/zinc/49/30/64/1072493064.db2.gz NGYUDCWZBUSKDP-XLNGHYISSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001022017446 1072608972 /nfs/dbraw/zinc/60/89/72/1072608972.db2.gz JJQBOHHZGLQXMO-YYIAUSFCSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001022017446 1072608970 /nfs/dbraw/zinc/60/89/70/1072608970.db2.gz JJQBOHHZGLQXMO-YYIAUSFCSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001022017894 1072609312 /nfs/dbraw/zinc/60/93/12/1072609312.db2.gz ROYXBVCKEOLLAI-XLNGHYISSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001022017894 1072609302 /nfs/dbraw/zinc/60/93/02/1072609302.db2.gz ROYXBVCKEOLLAI-XLNGHYISSA-N 2 2 375.473 -0.030 20 0 GBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC001022175704 1072186463 /nfs/dbraw/zinc/18/64/63/1072186463.db2.gz ZDVORCMSJBFQMR-YYIAUSFCSA-N 2 2 375.473 -0.030 20 0 GBADLP C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC001023693394 1072564007 /nfs/dbraw/zinc/56/40/07/1072564007.db2.gz JEBPQMVVBWHBTP-MUIFIZLQSA-N 2 2 375.473 -0.067 20 0 GBADLP C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)CC1 ZINC001023693394 1072563997 /nfs/dbraw/zinc/56/39/97/1072563997.db2.gz JEBPQMVVBWHBTP-MUIFIZLQSA-N 2 2 375.473 -0.067 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001023694114 1072565157 /nfs/dbraw/zinc/56/51/57/1072565157.db2.gz ITYICKILWULKGN-YFHUEUNASA-N 2 2 389.500 -0.057 20 0 GBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001023741881 1072576788 /nfs/dbraw/zinc/57/67/88/1072576788.db2.gz GEDRIRKOQBMAOV-KLHDSHLOSA-N 2 2 393.488 -0.587 20 0 GBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1O ZINC001023741881 1072576779 /nfs/dbraw/zinc/57/67/79/1072576779.db2.gz GEDRIRKOQBMAOV-KLHDSHLOSA-N 2 2 393.488 -0.587 20 0 GBADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c[nH+]1 ZINC001023967717 1072633802 /nfs/dbraw/zinc/63/38/02/1072633802.db2.gz GOTHMEWASBZBHA-KLHDSHLOSA-N 2 2 377.489 -0.045 20 0 GBADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c[nH+]1 ZINC001023967717 1072633796 /nfs/dbraw/zinc/63/37/96/1072633796.db2.gz GOTHMEWASBZBHA-KLHDSHLOSA-N 2 2 377.489 -0.045 20 0 GBADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023968267 1072632764 /nfs/dbraw/zinc/63/27/64/1072632764.db2.gz RVLKFYVXNCWFEM-DTZQCDIJSA-N 2 2 376.457 -0.339 20 0 GBADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023968267 1072632763 /nfs/dbraw/zinc/63/27/63/1072632763.db2.gz RVLKFYVXNCWFEM-DTZQCDIJSA-N 2 2 376.457 -0.339 20 0 GBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023968390 1072632798 /nfs/dbraw/zinc/63/27/98/1072632798.db2.gz UVBITLSCDGYHSL-MWQQHZPXSA-N 2 2 389.500 -0.210 20 0 GBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023968390 1072632796 /nfs/dbraw/zinc/63/27/96/1072632796.db2.gz UVBITLSCDGYHSL-MWQQHZPXSA-N 2 2 389.500 -0.210 20 0 GBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2O)CC[N@H+]1C ZINC001023979225 1072639012 /nfs/dbraw/zinc/63/90/12/1072639012.db2.gz UOCIYUTWRKEGDL-ZJIFWQFVSA-N 2 2 377.489 -0.229 20 0 GBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023979225 1072639007 /nfs/dbraw/zinc/63/90/07/1072639007.db2.gz UOCIYUTWRKEGDL-ZJIFWQFVSA-N 2 2 377.489 -0.229 20 0 GBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2O)CC[N@H+]1C ZINC001023979437 1072640041 /nfs/dbraw/zinc/64/00/41/1072640041.db2.gz YKGMNCNAJWYZDP-YLFCFFPRSA-N 2 2 377.489 -0.229 20 0 GBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023979437 1072640033 /nfs/dbraw/zinc/64/00/33/1072640033.db2.gz YKGMNCNAJWYZDP-YLFCFFPRSA-N 2 2 377.489 -0.229 20 0 GBADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC[N@H+]1C ZINC001024081926 1072654071 /nfs/dbraw/zinc/65/40/71/1072654071.db2.gz DDCFGPPVADGLPY-MWQQHZPXSA-N 2 2 389.500 -0.210 20 0 GBADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC[N@@H+]1C ZINC001024081926 1072654068 /nfs/dbraw/zinc/65/40/68/1072654068.db2.gz DDCFGPPVADGLPY-MWQQHZPXSA-N 2 2 389.500 -0.210 20 0 GBADLP C[NH+]1CCC(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001024376574 1072726307 /nfs/dbraw/zinc/72/63/07/1072726307.db2.gz QZDQPZROPFJDQG-MUIFIZLQSA-N 2 2 391.472 -0.688 20 0 GBADLP C[NH+]1CCC(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001024376574 1072726300 /nfs/dbraw/zinc/72/63/00/1072726300.db2.gz QZDQPZROPFJDQG-MUIFIZLQSA-N 2 2 391.472 -0.688 20 0 GBADLP C[NH+]1CCC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001024378286 1072743549 /nfs/dbraw/zinc/74/35/49/1072743549.db2.gz KIDVHXPVQBRVSA-MUIFIZLQSA-N 2 2 375.473 -0.067 20 0 GBADLP C[NH+]1CCC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001024378286 1072743536 /nfs/dbraw/zinc/74/35/36/1072743536.db2.gz KIDVHXPVQBRVSA-MUIFIZLQSA-N 2 2 375.473 -0.067 20 0 GBADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)c[nH+]1 ZINC001024384069 1072732777 /nfs/dbraw/zinc/73/27/77/1072732777.db2.gz MJTOPJFUTVAQAW-KLHDSHLOSA-N 2 2 377.489 -0.045 20 0 GBADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)c[nH+]1 ZINC001024384069 1072732770 /nfs/dbraw/zinc/73/27/70/1072732770.db2.gz MJTOPJFUTVAQAW-KLHDSHLOSA-N 2 2 377.489 -0.045 20 0 GBADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1O ZINC001024385797 1072732549 /nfs/dbraw/zinc/73/25/49/1072732549.db2.gz NNIAYQSOQPZZCG-DTZQCDIJSA-N 2 2 376.457 -0.339 20 0 GBADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1O ZINC001024385797 1072732538 /nfs/dbraw/zinc/73/25/38/1072732538.db2.gz NNIAYQSOQPZZCG-DTZQCDIJSA-N 2 2 376.457 -0.339 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2O)O1 ZINC001024386806 1072732401 /nfs/dbraw/zinc/73/24/01/1072732401.db2.gz ADYBPZAYBBVABP-ODVANORSSA-N 2 2 391.472 -0.832 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2O)O1 ZINC001024386806 1072732398 /nfs/dbraw/zinc/73/23/98/1072732398.db2.gz ADYBPZAYBBVABP-ODVANORSSA-N 2 2 391.472 -0.832 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2O)O1 ZINC001024387320 1072734972 /nfs/dbraw/zinc/73/49/72/1072734972.db2.gz NOVQCKICAHZMNQ-BASLNEPJSA-N 2 2 387.440 -0.645 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2O)O1 ZINC001024387320 1072734968 /nfs/dbraw/zinc/73/49/68/1072734968.db2.gz NOVQCKICAHZMNQ-BASLNEPJSA-N 2 2 387.440 -0.645 20 0 GBADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024389431 1072736630 /nfs/dbraw/zinc/73/66/30/1072736630.db2.gz GHFJGCJGFKIISG-KLHDSHLOSA-N 2 2 393.488 -0.587 20 0 GBADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024389431 1072736623 /nfs/dbraw/zinc/73/66/23/1072736623.db2.gz GHFJGCJGFKIISG-KLHDSHLOSA-N 2 2 393.488 -0.587 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024415862 1072750299 /nfs/dbraw/zinc/75/02/99/1072750299.db2.gz DUSYYGGOWCLPQQ-KCYZZUKISA-N 2 2 375.473 -0.447 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC001024492085 1072779969 /nfs/dbraw/zinc/77/99/69/1072779969.db2.gz BUHNQXCPBQDAEG-GAEVZRCVSA-N 2 2 387.440 -0.417 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC001024492085 1072779964 /nfs/dbraw/zinc/77/99/64/1072779964.db2.gz BUHNQXCPBQDAEG-GAEVZRCVSA-N 2 2 387.440 -0.417 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024745963 1072881754 /nfs/dbraw/zinc/88/17/54/1072881754.db2.gz SXGKKQVQVHWMMN-KCYZZUKISA-N 2 2 387.484 -0.160 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)O1 ZINC001024796449 1072890453 /nfs/dbraw/zinc/89/04/53/1072890453.db2.gz RYUBZRGOFBAKMS-ODVANORSSA-N 2 2 391.472 -0.832 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)O1 ZINC001024796449 1072890443 /nfs/dbraw/zinc/89/04/43/1072890443.db2.gz RYUBZRGOFBAKMS-ODVANORSSA-N 2 2 391.472 -0.832 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC001024862502 1072900546 /nfs/dbraw/zinc/90/05/46/1072900546.db2.gz URVGUNPZRDGOFL-BASLNEPJSA-N 2 2 387.440 -0.645 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC001024862502 1072900536 /nfs/dbraw/zinc/90/05/36/1072900536.db2.gz URVGUNPZRDGOFL-BASLNEPJSA-N 2 2 387.440 -0.645 20 0 GBADLP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2O)CC1 ZINC001025291284 1073028387 /nfs/dbraw/zinc/02/83/87/1073028387.db2.gz ASXKFCCBPXFLPP-QBPKDAKJSA-N 2 2 382.505 -0.875 20 0 GBADLP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2O)CC1 ZINC001025291284 1073028381 /nfs/dbraw/zinc/02/83/81/1073028381.db2.gz ASXKFCCBPXFLPP-QBPKDAKJSA-N 2 2 382.505 -0.875 20 0 GBADLP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)CC1 ZINC001025291317 1073028187 /nfs/dbraw/zinc/02/81/87/1073028187.db2.gz CBHWSPSJXOGBOM-YFHUEUNASA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001025690950 1073163234 /nfs/dbraw/zinc/16/32/34/1073163234.db2.gz QOOGUARNRQNROG-KCYZZUKISA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001025690950 1073163230 /nfs/dbraw/zinc/16/32/30/1073163230.db2.gz QOOGUARNRQNROG-KCYZZUKISA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001025708094 1073177978 /nfs/dbraw/zinc/17/79/78/1073177978.db2.gz DWFPGBGUTCPZLL-KCYZZUKISA-N 2 2 387.484 -0.160 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001025709233 1073178492 /nfs/dbraw/zinc/17/84/92/1073178492.db2.gz CXDSMOKXBGOMGG-IXYNUQLISA-N 2 2 375.473 -0.304 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1O ZINC001025709258 1073178812 /nfs/dbraw/zinc/17/88/12/1073178812.db2.gz HQPYMYDLODHNLU-KCYZZUKISA-N 2 2 375.473 -0.304 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001025709258 1073178808 /nfs/dbraw/zinc/17/88/08/1073178808.db2.gz HQPYMYDLODHNLU-KCYZZUKISA-N 2 2 375.473 -0.304 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001025709680 1073179279 /nfs/dbraw/zinc/17/92/79/1073179279.db2.gz VJAHKOLYUYEONR-KCYZZUKISA-N 2 2 375.473 -0.447 20 0 GBADLP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001025709860 1073179285 /nfs/dbraw/zinc/17/92/85/1073179285.db2.gz OMELKRYVGBRESE-YFHUEUNASA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001025710066 1073180118 /nfs/dbraw/zinc/18/01/18/1073180118.db2.gz WHWFCRKLUDIOHP-KCYZZUKISA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001025710066 1073180117 /nfs/dbraw/zinc/18/01/17/1073180117.db2.gz WHWFCRKLUDIOHP-KCYZZUKISA-N 2 2 389.500 -0.057 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001025710136 1073180289 /nfs/dbraw/zinc/18/02/89/1073180289.db2.gz ZGDJWWYKFVUMPU-YFHUEUNASA-N 2 2 389.500 -0.057 20 0 GBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)O1 ZINC001058870926 1073621999 /nfs/dbraw/zinc/62/19/99/1073621999.db2.gz UGSDSAORYQNJDJ-KCYZZUKISA-N 2 2 393.488 -0.820 20 0 GBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)O1 ZINC001058870926 1073621993 /nfs/dbraw/zinc/62/19/93/1073621993.db2.gz UGSDSAORYQNJDJ-KCYZZUKISA-N 2 2 393.488 -0.820 20 0 GBADLP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001058872782 1073622078 /nfs/dbraw/zinc/62/20/78/1073622078.db2.gz DOVXZMGMOXHUMS-KLHDSHLOSA-N 2 2 377.489 -0.199 20 0 GBADLP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001058872782 1073622074 /nfs/dbraw/zinc/62/20/74/1073622074.db2.gz DOVXZMGMOXHUMS-KLHDSHLOSA-N 2 2 377.489 -0.199 20 0 GBADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087181143 1072236948 /nfs/dbraw/zinc/23/69/48/1072236948.db2.gz CHKOOUOLGTYSCO-APIJFGDWSA-N 2 2 380.493 -0.456 20 0 GBADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087181143 1072236938 /nfs/dbraw/zinc/23/69/38/1072236938.db2.gz CHKOOUOLGTYSCO-APIJFGDWSA-N 2 2 380.493 -0.456 20 0 GBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087622592 1073299427 /nfs/dbraw/zinc/29/94/27/1073299427.db2.gz VMGWTXQGPMZLCX-YYIAUSFCSA-N 2 2 382.505 -0.467 20 0 GBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087622592 1073299424 /nfs/dbraw/zinc/29/94/24/1073299424.db2.gz VMGWTXQGPMZLCX-YYIAUSFCSA-N 2 2 382.505 -0.467 20 0 GBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087622592 1073299422 /nfs/dbraw/zinc/29/94/22/1073299422.db2.gz VMGWTXQGPMZLCX-YYIAUSFCSA-N 2 2 382.505 -0.467 20 0 GBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087622592 1073299416 /nfs/dbraw/zinc/29/94/16/1073299416.db2.gz VMGWTXQGPMZLCX-YYIAUSFCSA-N 2 2 382.505 -0.467 20 0 GBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001088000454 1073371719 /nfs/dbraw/zinc/37/17/19/1073371719.db2.gz IBPHFHCSMBSJCZ-LXTVHRRPSA-N 2 2 386.456 -0.155 20 0 GBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001088000454 1073371709 /nfs/dbraw/zinc/37/17/09/1073371709.db2.gz IBPHFHCSMBSJCZ-LXTVHRRPSA-N 2 2 386.456 -0.155 20 0 GBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001088000454 1073371704 /nfs/dbraw/zinc/37/17/04/1073371704.db2.gz IBPHFHCSMBSJCZ-LXTVHRRPSA-N 2 2 386.456 -0.155 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)CC[C@@H]3C2)O1 ZINC001088011784 1073375351 /nfs/dbraw/zinc/37/53/51/1073375351.db2.gz DIVDFAIXLPGQLX-APIJFGDWSA-N 2 2 378.477 -0.892 20 0 GBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)CC[C@@H]3C2)O1 ZINC001088011784 1073375341 /nfs/dbraw/zinc/37/53/41/1073375341.db2.gz DIVDFAIXLPGQLX-APIJFGDWSA-N 2 2 378.477 -0.892 20 0 GBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104346437 1072571829 /nfs/dbraw/zinc/57/18/29/1072571829.db2.gz AXOILGSSCHSTKU-KBUPBQIOSA-N 2 2 380.493 -0.598 20 0 GBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104346437 1072571824 /nfs/dbraw/zinc/57/18/24/1072571824.db2.gz AXOILGSSCHSTKU-KBUPBQIOSA-N 2 2 380.493 -0.598 20 0 GBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104439451 1072432431 /nfs/dbraw/zinc/43/24/31/1072432431.db2.gz APROAFAUGAVCNM-VQHPVUNQSA-N 2 2 382.505 -0.574 20 0 GBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104699064 1073077294 /nfs/dbraw/zinc/07/72/94/1073077294.db2.gz AOAWMGVSSKYJEX-AAVRWANBSA-N 2 2 376.461 -0.207 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112531992 1073599718 /nfs/dbraw/zinc/59/97/18/1073599718.db2.gz BLUXYCPZRBMOIR-HLBODDRNSA-N 2 2 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C[N@@H+]1CCO[C@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001164667121 719375300 /nfs/dbraw/zinc/37/53/00/719375300.db2.gz IFJAMQSRDBCSCM-GJZGRUSLSA-N 2 2 391.476 -0.936 20 0 GBADLP C[N@H+]1CCO[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001164667122 719375390 /nfs/dbraw/zinc/37/53/90/719375390.db2.gz IFJAMQSRDBCSCM-HUUCEWRRSA-N 2 2 391.476 -0.936 20 0 GBADLP C[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001164667122 719375389 /nfs/dbraw/zinc/37/53/89/719375389.db2.gz IFJAMQSRDBCSCM-HUUCEWRRSA-N 2 2 391.476 -0.936 20 0 GBADLP C[N@H+]1CCO[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001164667123 719375068 /nfs/dbraw/zinc/37/50/68/719375068.db2.gz IFJAMQSRDBCSCM-LSDHHAIUSA-N 2 2 391.476 -0.936 20 0 GBADLP C[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001164667123 719375067 /nfs/dbraw/zinc/37/50/67/719375067.db2.gz IFJAMQSRDBCSCM-LSDHHAIUSA-N 2 2 391.476 -0.936 20 0 GBADLP c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)[nH+]cc1N1CC[NH2+]CC1 ZINC001164679881 719582917 /nfs/dbraw/zinc/58/29/17/719582917.db2.gz IUKYQVLUCWWNRQ-UHFFFAOYSA-N 2 2 384.488 -0.065 20 0 GBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164704151 720047966 /nfs/dbraw/zinc/04/79/66/720047966.db2.gz NXGRYSFQZIUTEY-UHFFFAOYSA-N 2 2 396.499 -0.194 20 0 GBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164705224 719939011 /nfs/dbraw/zinc/93/90/11/719939011.db2.gz WTBPTBAFYXULCF-UHFFFAOYSA-N 2 2 396.499 -0.194 20 0 GBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164708416 719907660 /nfs/dbraw/zinc/90/76/60/719907660.db2.gz CUWNUBKHRQYMHE-UHFFFAOYSA-N 2 2 382.472 -0.236 20 0 GBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164708456 719915210 /nfs/dbraw/zinc/91/52/10/719915210.db2.gz DONNHPSWSFWZAH-UHFFFAOYSA-N 2 2 396.499 -0.194 20 0 GBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164709657 720049907 /nfs/dbraw/zinc/04/99/07/720049907.db2.gz AQIJLEBERWXITE-UHFFFAOYSA-N 2 2 396.499 -0.153 20 0 GBADLP C[NH+]1CCN(c2ccc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)nn2)CC1 ZINC001164816081 720247238 /nfs/dbraw/zinc/24/72/38/720247238.db2.gz GAKZZKZJGJWBGD-UHFFFAOYSA-N 2 2 398.471 -0.510 20 0 GBADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970392 1073016882 /nfs/dbraw/zinc/01/68/82/1073016882.db2.gz JFBIWDCUXDSGFT-MQVJKMGUSA-N 2 2 380.489 -0.223 20 0 GBADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970392 1073016875 /nfs/dbraw/zinc/01/68/75/1073016875.db2.gz JFBIWDCUXDSGFT-MQVJKMGUSA-N 2 2 380.489 -0.223 20 0 GBADLP NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981881 1073032608 /nfs/dbraw/zinc/03/26/08/1073032608.db2.gz NXTAKWAOGURFQF-HMQMGEFJSA-N 2 2 391.516 -0.426 20 0 GBADLP NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981881 1073032596 /nfs/dbraw/zinc/03/25/96/1073032596.db2.gz NXTAKWAOGURFQF-HMQMGEFJSA-N 2 2 391.516 -0.426 20 0 GBADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021915 1073307829 /nfs/dbraw/zinc/30/78/29/1073307829.db2.gz RABSJCYSLXQFGK-AXBUCTRYSA-N 2 2 380.485 -0.183 20 0 GBADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168021915 1073307825 /nfs/dbraw/zinc/30/78/25/1073307825.db2.gz RABSJCYSLXQFGK-AXBUCTRYSA-N 2 2 380.485 -0.183 20 0 GBADLP C[C@@H]1CC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168021916 1073308075 /nfs/dbraw/zinc/30/80/75/1073308075.db2.gz RABSJCYSLXQFGK-DAIRBJJFSA-N 2 2 380.485 -0.183 20 0 GBADLP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021917 1073307951 /nfs/dbraw/zinc/30/79/51/1073307951.db2.gz RABSJCYSLXQFGK-WWSZDVLRSA-N 2 2 380.485 -0.183 20 0 GBADLP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168021917 1073307946 /nfs/dbraw/zinc/30/79/46/1073307946.db2.gz RABSJCYSLXQFGK-WWSZDVLRSA-N 2 2 380.485 -0.183 20 0 GBADLP C[C@@H]1CC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168021918 1073308774 /nfs/dbraw/zinc/30/87/74/1073308774.db2.gz RABSJCYSLXQFGK-ZMBOVJINSA-N 2 2 380.485 -0.183 20 0 GBADLP C[C@H]1CC([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032939 1073324674 /nfs/dbraw/zinc/32/46/74/1073324674.db2.gz JOWZNNVNIWGVFC-GJZGRUSLSA-N 2 2 389.500 -0.265 20 0 GBADLP C[C@@H]1CC([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032940 1073324546 /nfs/dbraw/zinc/32/45/46/1073324546.db2.gz JOWZNNVNIWGVFC-HUUCEWRRSA-N 2 2 389.500 -0.265 20 0 GBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033041 1073324957 /nfs/dbraw/zinc/32/49/57/1073324957.db2.gz JOWZNNVNIWGVFC-SCAQPMJSSA-N 2 2 389.500 -0.265 20 0 GBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033041 1073324952 /nfs/dbraw/zinc/32/49/52/1073324952.db2.gz JOWZNNVNIWGVFC-SCAQPMJSSA-N 2 2 389.500 -0.265 20 0 GBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001571200183 953007320 /nfs/dbraw/zinc/00/73/20/953007320.db2.gz BOTRHGVAJNDORV-CVEARBPZSA-N 2 2 382.428 -0.267 20 0 GBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571205771 953042158 /nfs/dbraw/zinc/04/21/58/953042158.db2.gz LSMLDABFXSIMDJ-HZPDHXFCSA-N 2 2 382.428 -0.496 20 0 GBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571205771 953042153 /nfs/dbraw/zinc/04/21/53/953042153.db2.gz LSMLDABFXSIMDJ-HZPDHXFCSA-N 2 2 382.428 -0.496 20 0 GBADLP CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001571223251 953143113 /nfs/dbraw/zinc/14/31/13/953143113.db2.gz RTHXVFORWOKQQE-UKRRQHHQSA-N 2 2 383.416 -0.213 20 0 GBADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571250312 953310134 /nfs/dbraw/zinc/31/01/34/953310134.db2.gz QPYOCQKUYKJAPA-KBPBESRZSA-N 2 2 384.444 -0.227 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263948 945471097 /nfs/dbraw/zinc/47/10/97/945471097.db2.gz COIOZXPOKNHESN-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263948 945471091 /nfs/dbraw/zinc/47/10/91/945471091.db2.gz COIOZXPOKNHESN-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263948 945471088 /nfs/dbraw/zinc/47/10/88/945471088.db2.gz COIOZXPOKNHESN-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263948 945471082 /nfs/dbraw/zinc/47/10/82/945471082.db2.gz COIOZXPOKNHESN-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263949 945471643 /nfs/dbraw/zinc/47/16/43/945471643.db2.gz COIOZXPOKNHESN-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263949 945471638 /nfs/dbraw/zinc/47/16/38/945471638.db2.gz COIOZXPOKNHESN-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263949 945471633 /nfs/dbraw/zinc/47/16/33/945471633.db2.gz COIOZXPOKNHESN-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263949 945471629 /nfs/dbraw/zinc/47/16/29/945471629.db2.gz COIOZXPOKNHESN-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP O=C(CC[NH+]1CCOCC1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571272416 945662801 /nfs/dbraw/zinc/66/28/01/945662801.db2.gz DGNOKXRMRCXSGS-UHFFFAOYSA-N 2 2 386.460 -0.191 20 0 GBADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571272983 945675925 /nfs/dbraw/zinc/67/59/25/945675925.db2.gz MDVMPEBVNNDGOW-AWEZNQCLSA-N 2 2 386.460 -0.191 20 0 GBADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571272984 945675670 /nfs/dbraw/zinc/67/56/70/945675670.db2.gz MDVMPEBVNNDGOW-CQSZACIVSA-N 2 2 386.460 -0.191 20 0 GBADLP Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571273078 945680045 /nfs/dbraw/zinc/68/00/45/945680045.db2.gz OOGYFTFJSWUFKC-INIZCTEOSA-N 2 2 386.460 -0.014 20 0 GBADLP Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571273078 945680028 /nfs/dbraw/zinc/68/00/28/945680028.db2.gz OOGYFTFJSWUFKC-INIZCTEOSA-N 2 2 386.460 -0.014 20 0 GBADLP Cc1cc(N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571273079 945679462 /nfs/dbraw/zinc/67/94/62/945679462.db2.gz OOGYFTFJSWUFKC-MRXNPFEDSA-N 2 2 386.460 -0.014 20 0 GBADLP Cc1cc(N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571273079 945679455 /nfs/dbraw/zinc/67/94/55/945679455.db2.gz OOGYFTFJSWUFKC-MRXNPFEDSA-N 2 2 386.460 -0.014 20 0 GBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571273338 945685236 /nfs/dbraw/zinc/68/52/36/945685236.db2.gz VVRQFYNEGDHGMJ-INIZCTEOSA-N 2 2 386.460 -0.335 20 0 GBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571273338 945685228 /nfs/dbraw/zinc/68/52/28/945685228.db2.gz VVRQFYNEGDHGMJ-INIZCTEOSA-N 2 2 386.460 -0.335 20 0 GBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571273339 945686591 /nfs/dbraw/zinc/68/65/91/945686591.db2.gz VVRQFYNEGDHGMJ-MRXNPFEDSA-N 2 2 386.460 -0.335 20 0 GBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571273339 945686583 /nfs/dbraw/zinc/68/65/83/945686583.db2.gz VVRQFYNEGDHGMJ-MRXNPFEDSA-N 2 2 386.460 -0.335 20 0 GBADLP O=C(C[NH+]1CCCC1)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571273456 945688186 /nfs/dbraw/zinc/68/81/86/945688186.db2.gz XTYQNAANSSYUPV-AWEZNQCLSA-N 2 2 386.460 -0.191 20 0 GBADLP O=C(C[NH+]1CCCC1)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571273457 945687969 /nfs/dbraw/zinc/68/79/69/945687969.db2.gz XTYQNAANSSYUPV-CQSZACIVSA-N 2 2 386.460 -0.191 20 0 GBADLP O=C(C[NH+]1CCCC1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571273460 945688971 /nfs/dbraw/zinc/68/89/71/945688971.db2.gz XVNGPXKCJOXXOP-GOSISDBHSA-N 2 2 386.460 -0.455 20 0 GBADLP O=C(C[NH+]1CCCC1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571273461 945688791 /nfs/dbraw/zinc/68/87/91/945688791.db2.gz XVNGPXKCJOXXOP-SFHVURJKSA-N 2 2 386.460 -0.455 20 0 GBADLP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001571275666 945712384 /nfs/dbraw/zinc/71/23/84/945712384.db2.gz AGBGVZXEGXNBQH-KBPBESRZSA-N 2 2 386.460 -0.193 20 0 GBADLP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001571275667 945712244 /nfs/dbraw/zinc/71/22/44/945712244.db2.gz AGBGVZXEGXNBQH-KGLIPLIRSA-N 2 2 386.460 -0.193 20 0 GBADLP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001571275668 945711639 /nfs/dbraw/zinc/71/16/39/945711639.db2.gz AGBGVZXEGXNBQH-UONOGXRCSA-N 2 2 386.460 -0.193 20 0 GBADLP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001571275669 945712270 /nfs/dbraw/zinc/71/22/70/945712270.db2.gz AGBGVZXEGXNBQH-ZIAGYGMSSA-N 2 2 386.460 -0.193 20 0 GBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275736 945713638 /nfs/dbraw/zinc/71/36/38/945713638.db2.gz BPNVOXKUHPESGH-BBRMVZONSA-N 2 2 386.460 -0.274 20 0 GBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275736 945713636 /nfs/dbraw/zinc/71/36/36/945713636.db2.gz BPNVOXKUHPESGH-BBRMVZONSA-N 2 2 386.460 -0.274 20 0 GBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275737 945713656 /nfs/dbraw/zinc/71/36/56/945713656.db2.gz BPNVOXKUHPESGH-XJKSGUPXSA-N 2 2 386.460 -0.274 20 0 GBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275737 945713653 /nfs/dbraw/zinc/71/36/53/945713653.db2.gz BPNVOXKUHPESGH-XJKSGUPXSA-N 2 2 386.460 -0.274 20 0 GBADLP CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275808 945716829 /nfs/dbraw/zinc/71/68/29/945716829.db2.gz CWRSHIJOAYEEMJ-SEEARECTSA-N 2 2 386.460 -0.289 20 0 GBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275808 945716824 /nfs/dbraw/zinc/71/68/24/945716824.db2.gz CWRSHIJOAYEEMJ-SEEARECTSA-N 2 2 386.460 -0.289 20 0 GBADLP CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275809 945716945 /nfs/dbraw/zinc/71/69/45/945716945.db2.gz CWRSHIJOAYEEMJ-ZUEPYMLJSA-N 2 2 386.460 -0.289 20 0 GBADLP CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275809 945716932 /nfs/dbraw/zinc/71/69/32/945716932.db2.gz CWRSHIJOAYEEMJ-ZUEPYMLJSA-N 2 2 386.460 -0.289 20 0 GBADLP CC1CC[NH+](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)CC1 ZINC001571279333 945775103 /nfs/dbraw/zinc/77/51/03/945775103.db2.gz VCCKCVXDFMDKKB-ZBFHGGJFSA-N 2 2 386.460 -0.341 20 0 GBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294014 946122500 /nfs/dbraw/zinc/12/25/00/946122500.db2.gz YJDXMPMRGOPKRQ-BZUAXINKSA-N 2 2 389.435 -0.239 20 0 GBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294014 946122494 /nfs/dbraw/zinc/12/24/94/946122494.db2.gz YJDXMPMRGOPKRQ-BZUAXINKSA-N 2 2 389.435 -0.239 20 0 GBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294014 946122485 /nfs/dbraw/zinc/12/24/85/946122485.db2.gz YJDXMPMRGOPKRQ-BZUAXINKSA-N 2 2 389.435 -0.239 20 0 GBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294014 946122474 /nfs/dbraw/zinc/12/24/74/946122474.db2.gz YJDXMPMRGOPKRQ-BZUAXINKSA-N 2 2 389.435 -0.239 20 0 GBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294015 946123081 /nfs/dbraw/zinc/12/30/81/946123081.db2.gz YJDXMPMRGOPKRQ-OWCLPIDISA-N 2 2 389.435 -0.239 20 0 GBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294015 946123075 /nfs/dbraw/zinc/12/30/75/946123075.db2.gz YJDXMPMRGOPKRQ-OWCLPIDISA-N 2 2 389.435 -0.239 20 0 GBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294015 946123069 /nfs/dbraw/zinc/12/30/69/946123069.db2.gz YJDXMPMRGOPKRQ-OWCLPIDISA-N 2 2 389.435 -0.239 20 0 GBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294015 946123061 /nfs/dbraw/zinc/12/30/61/946123061.db2.gz YJDXMPMRGOPKRQ-OWCLPIDISA-N 2 2 389.435 -0.239 20 0 GBADLP CC(C)(C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573787427 949180344 /nfs/dbraw/zinc/18/03/44/949180344.db2.gz ZCYDTGJRNUEQLC-HIFRSBDPSA-N 2 2 386.460 -0.198 20 0 GBADLP CC(C)(C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)[NH+]1CCCC1 ZINC001573787428 949179922 /nfs/dbraw/zinc/17/99/22/949179922.db2.gz ZCYDTGJRNUEQLC-UKRRQHHQSA-N 2 2 386.460 -0.198 20 0 GBADLP C[C@H](CC(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574476916 949629074 /nfs/dbraw/zinc/62/90/74/949629074.db2.gz LWYYHEGYZGNPCH-CHWSQXEVSA-N 2 2 385.432 -0.237 20 0 GBADLP C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574476917 949629960 /nfs/dbraw/zinc/62/99/60/949629960.db2.gz LWYYHEGYZGNPCH-OLZOCXBDSA-N 2 2 385.432 -0.237 20 0 GBADLP C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574476918 949631005 /nfs/dbraw/zinc/63/10/05/949631005.db2.gz LWYYHEGYZGNPCH-QWHCGFSZSA-N 2 2 385.432 -0.237 20 0 GBADLP C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574476919 949630263 /nfs/dbraw/zinc/63/02/63/949630263.db2.gz LWYYHEGYZGNPCH-STQMWFEESA-N 2 2 385.432 -0.237 20 0 GBADLP C[C@H](CC(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574477695 949669851 /nfs/dbraw/zinc/66/98/51/949669851.db2.gz QJTHKUBFHMCVNX-CYBMUJFWSA-N 2 2 385.432 -0.236 20 0 GBADLP C[C@@H](CC(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574477697 949671206 /nfs/dbraw/zinc/67/12/06/949671206.db2.gz QJTHKUBFHMCVNX-ZDUSSCGKSA-N 2 2 385.432 -0.236 20 0 GBADLP C[C@@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)n1cc[nH+]c1 ZINC001574510886 950547759 /nfs/dbraw/zinc/54/77/59/950547759.db2.gz CPKPXVCQEUWYGN-NJZAAPMLSA-N 2 2 383.416 -0.225 20 0 GBADLP C[C@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)n1cc[nH+]c1 ZINC001574510887 950547061 /nfs/dbraw/zinc/54/70/61/950547061.db2.gz CPKPXVCQEUWYGN-UXIGCNINSA-N 2 2 383.416 -0.225 20 0 GBADLP C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574697794 949162735 /nfs/dbraw/zinc/16/27/35/949162735.db2.gz BYBLFYRWGUMPJG-KBPBESRZSA-N 2 2 388.476 -0.089 20 0 GBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574697795 949162691 /nfs/dbraw/zinc/16/26/91/949162691.db2.gz BYBLFYRWGUMPJG-KGLIPLIRSA-N 2 2 388.476 -0.089 20 0 GBADLP C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574697797 949162225 /nfs/dbraw/zinc/16/22/25/949162225.db2.gz BYBLFYRWGUMPJG-UONOGXRCSA-N 2 2 388.476 -0.089 20 0 GBADLP C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574697798 949164590 /nfs/dbraw/zinc/16/45/90/949164590.db2.gz BYBLFYRWGUMPJG-ZIAGYGMSSA-N 2 2 388.476 -0.089 20 0 GBADLP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575922172 950645442 /nfs/dbraw/zinc/64/54/42/950645442.db2.gz OWTJWWAHFULHPM-DZGCQCFKSA-N 2 2 386.460 -0.193 20 0 GBADLP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575922178 950644807 /nfs/dbraw/zinc/64/48/07/950644807.db2.gz OWTJWWAHFULHPM-HIFRSBDPSA-N 2 2 386.460 -0.193 20 0 GBADLP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575922187 950645334 /nfs/dbraw/zinc/64/53/34/950645334.db2.gz OWTJWWAHFULHPM-UKRRQHHQSA-N 2 2 386.460 -0.193 20 0 GBADLP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575922195 950645032 /nfs/dbraw/zinc/64/50/32/950645032.db2.gz OWTJWWAHFULHPM-ZFWWWQNUSA-N 2 2 386.460 -0.193 20 0 GBADLP CC1CC[NH+](CC(=O)N(C)C[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576192021 950220083 /nfs/dbraw/zinc/22/00/83/950220083.db2.gz JJSWYGNEHMNMOR-AWEZNQCLSA-N 2 2 388.476 -0.353 20 0 GBADLP CC1CC[NH+](CC(=O)N(C)C[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576192024 950219958 /nfs/dbraw/zinc/21/99/58/950219958.db2.gz JJSWYGNEHMNMOR-CQSZACIVSA-N 2 2 388.476 -0.353 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576193929 950322363 /nfs/dbraw/zinc/32/23/63/950322363.db2.gz WOHCNYXAIJZYJA-KBPBESRZSA-N 2 2 388.476 -0.141 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576193929 950322341 /nfs/dbraw/zinc/32/23/41/950322341.db2.gz WOHCNYXAIJZYJA-KBPBESRZSA-N 2 2 388.476 -0.141 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576193930 950321555 /nfs/dbraw/zinc/32/15/55/950321555.db2.gz WOHCNYXAIJZYJA-KGLIPLIRSA-N 2 2 388.476 -0.141 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576193930 950321534 /nfs/dbraw/zinc/32/15/34/950321534.db2.gz WOHCNYXAIJZYJA-KGLIPLIRSA-N 2 2 388.476 -0.141 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576193931 950324510 /nfs/dbraw/zinc/32/45/10/950324510.db2.gz WOHCNYXAIJZYJA-UONOGXRCSA-N 2 2 388.476 -0.141 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576193931 950324491 /nfs/dbraw/zinc/32/44/91/950324491.db2.gz WOHCNYXAIJZYJA-UONOGXRCSA-N 2 2 388.476 -0.141 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576193932 950323913 /nfs/dbraw/zinc/32/39/13/950323913.db2.gz WOHCNYXAIJZYJA-ZIAGYGMSSA-N 2 2 388.476 -0.141 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576193932 950323897 /nfs/dbraw/zinc/32/38/97/950323897.db2.gz WOHCNYXAIJZYJA-ZIAGYGMSSA-N 2 2 388.476 -0.141 20 0 GBADLP CC1CC[NH+](CC(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576196245 950356937 /nfs/dbraw/zinc/35/69/37/950356937.db2.gz BOKUKNUWHMPCHH-UHFFFAOYSA-N 2 2 388.476 -0.352 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206888 950583330 /nfs/dbraw/zinc/58/33/30/950583330.db2.gz ZKQZMLNHCNKHDR-ACJLOTCBSA-N 2 2 386.460 -0.339 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206888 950583319 /nfs/dbraw/zinc/58/33/19/950583319.db2.gz ZKQZMLNHCNKHDR-ACJLOTCBSA-N 2 2 386.460 -0.339 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206890 950581759 /nfs/dbraw/zinc/58/17/59/950581759.db2.gz ZKQZMLNHCNKHDR-FZKQIMNGSA-N 2 2 386.460 -0.339 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206890 950581746 /nfs/dbraw/zinc/58/17/46/950581746.db2.gz ZKQZMLNHCNKHDR-FZKQIMNGSA-N 2 2 386.460 -0.339 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206892 950580957 /nfs/dbraw/zinc/58/09/57/950580957.db2.gz ZKQZMLNHCNKHDR-SCLBCKFNSA-N 2 2 386.460 -0.339 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206892 950580950 /nfs/dbraw/zinc/58/09/50/950580950.db2.gz ZKQZMLNHCNKHDR-SCLBCKFNSA-N 2 2 386.460 -0.339 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206894 950582324 /nfs/dbraw/zinc/58/23/24/950582324.db2.gz ZKQZMLNHCNKHDR-UGSOOPFHSA-N 2 2 386.460 -0.339 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206894 950582304 /nfs/dbraw/zinc/58/23/04/950582304.db2.gz ZKQZMLNHCNKHDR-UGSOOPFHSA-N 2 2 386.460 -0.339 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001576206950 950582726 /nfs/dbraw/zinc/58/27/26/950582726.db2.gz ZUFDVOSMAATIMB-KBPBESRZSA-N 2 2 386.460 -0.075 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001576206950 950582710 /nfs/dbraw/zinc/58/27/10/950582710.db2.gz ZUFDVOSMAATIMB-KBPBESRZSA-N 2 2 386.460 -0.075 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001576206951 950581075 /nfs/dbraw/zinc/58/10/75/950581075.db2.gz ZUFDVOSMAATIMB-KGLIPLIRSA-N 2 2 386.460 -0.075 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001576206951 950581068 /nfs/dbraw/zinc/58/10/68/950581068.db2.gz ZUFDVOSMAATIMB-KGLIPLIRSA-N 2 2 386.460 -0.075 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001576206952 950582217 /nfs/dbraw/zinc/58/22/17/950582217.db2.gz ZUFDVOSMAATIMB-UONOGXRCSA-N 2 2 386.460 -0.075 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001576206952 950582203 /nfs/dbraw/zinc/58/22/03/950582203.db2.gz ZUFDVOSMAATIMB-UONOGXRCSA-N 2 2 386.460 -0.075 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001576206953 950580899 /nfs/dbraw/zinc/58/08/99/950580899.db2.gz ZUFDVOSMAATIMB-ZIAGYGMSSA-N 2 2 386.460 -0.075 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001576206953 950580894 /nfs/dbraw/zinc/58/08/94/950580894.db2.gz ZUFDVOSMAATIMB-ZIAGYGMSSA-N 2 2 386.460 -0.075 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001576207004 950588128 /nfs/dbraw/zinc/58/81/28/950588128.db2.gz BFPJOCGQXHOVIU-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001576207004 950588112 /nfs/dbraw/zinc/58/81/12/950588112.db2.gz BFPJOCGQXHOVIU-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001576207004 950588095 /nfs/dbraw/zinc/58/80/95/950588095.db2.gz BFPJOCGQXHOVIU-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001576207004 950588083 /nfs/dbraw/zinc/58/80/83/950588083.db2.gz BFPJOCGQXHOVIU-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001576207005 950589779 /nfs/dbraw/zinc/58/97/79/950589779.db2.gz BFPJOCGQXHOVIU-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001576207005 950589768 /nfs/dbraw/zinc/58/97/68/950589768.db2.gz BFPJOCGQXHOVIU-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001576207005 950589750 /nfs/dbraw/zinc/58/97/50/950589750.db2.gz BFPJOCGQXHOVIU-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001576207005 950589726 /nfs/dbraw/zinc/58/97/26/950589726.db2.gz BFPJOCGQXHOVIU-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576207008 950589201 /nfs/dbraw/zinc/58/92/01/950589201.db2.gz BFPJOCGQXHOVIU-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576207008 950589188 /nfs/dbraw/zinc/58/91/88/950589188.db2.gz BFPJOCGQXHOVIU-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576207008 950589168 /nfs/dbraw/zinc/58/91/68/950589168.db2.gz BFPJOCGQXHOVIU-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576207008 950589149 /nfs/dbraw/zinc/58/91/49/950589149.db2.gz BFPJOCGQXHOVIU-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576207011 950591012 /nfs/dbraw/zinc/59/10/12/950591012.db2.gz BFPJOCGQXHOVIU-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576207011 950590999 /nfs/dbraw/zinc/59/09/99/950590999.db2.gz BFPJOCGQXHOVIU-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576207011 950590984 /nfs/dbraw/zinc/59/09/84/950590984.db2.gz BFPJOCGQXHOVIU-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001576207011 950590964 /nfs/dbraw/zinc/59/09/64/950590964.db2.gz BFPJOCGQXHOVIU-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001576207097 950589669 /nfs/dbraw/zinc/58/96/69/950589669.db2.gz COIOZXPOKNHESN-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001576207097 950589649 /nfs/dbraw/zinc/58/96/49/950589649.db2.gz COIOZXPOKNHESN-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001576207097 950589628 /nfs/dbraw/zinc/58/96/28/950589628.db2.gz COIOZXPOKNHESN-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001576207097 950589611 /nfs/dbraw/zinc/58/96/11/950589611.db2.gz COIOZXPOKNHESN-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001576207101 950591256 /nfs/dbraw/zinc/59/12/56/950591256.db2.gz COIOZXPOKNHESN-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001576207101 950591250 /nfs/dbraw/zinc/59/12/50/950591250.db2.gz COIOZXPOKNHESN-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001576207101 950591235 /nfs/dbraw/zinc/59/12/35/950591235.db2.gz COIOZXPOKNHESN-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001576207101 950591218 /nfs/dbraw/zinc/59/12/18/950591218.db2.gz COIOZXPOKNHESN-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001576207105 950589095 /nfs/dbraw/zinc/58/90/95/950589095.db2.gz CPLNVWQQHAERAI-BNOWGMLFSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001576207105 950589067 /nfs/dbraw/zinc/58/90/67/950589067.db2.gz CPLNVWQQHAERAI-BNOWGMLFSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001576207105 950589051 /nfs/dbraw/zinc/58/90/51/950589051.db2.gz CPLNVWQQHAERAI-BNOWGMLFSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001576207105 950589035 /nfs/dbraw/zinc/58/90/35/950589035.db2.gz CPLNVWQQHAERAI-BNOWGMLFSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001576207110 950588486 /nfs/dbraw/zinc/58/84/86/950588486.db2.gz CPLNVWQQHAERAI-IACUBPJLSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001576207110 950588472 /nfs/dbraw/zinc/58/84/72/950588472.db2.gz CPLNVWQQHAERAI-IACUBPJLSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001576207110 950588457 /nfs/dbraw/zinc/58/84/57/950588457.db2.gz CPLNVWQQHAERAI-IACUBPJLSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001576207110 950588440 /nfs/dbraw/zinc/58/84/40/950588440.db2.gz CPLNVWQQHAERAI-IACUBPJLSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001576207116 950589387 /nfs/dbraw/zinc/58/93/87/950589387.db2.gz CPLNVWQQHAERAI-MRVWCRGKSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001576207116 950589367 /nfs/dbraw/zinc/58/93/67/950589367.db2.gz CPLNVWQQHAERAI-MRVWCRGKSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001576207116 950589358 /nfs/dbraw/zinc/58/93/58/950589358.db2.gz CPLNVWQQHAERAI-MRVWCRGKSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001576207116 950589347 /nfs/dbraw/zinc/58/93/47/950589347.db2.gz CPLNVWQQHAERAI-MRVWCRGKSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001576207121 950590112 /nfs/dbraw/zinc/59/01/12/950590112.db2.gz CPLNVWQQHAERAI-YUTCNCBUSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001576207121 950590094 /nfs/dbraw/zinc/59/00/94/950590094.db2.gz CPLNVWQQHAERAI-YUTCNCBUSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001576207121 950590069 /nfs/dbraw/zinc/59/00/69/950590069.db2.gz CPLNVWQQHAERAI-YUTCNCBUSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001576207121 950590057 /nfs/dbraw/zinc/59/00/57/950590057.db2.gz CPLNVWQQHAERAI-YUTCNCBUSA-N 2 2 391.501 -0.069 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001576208666 950618182 /nfs/dbraw/zinc/61/81/82/950618182.db2.gz RWQJPLJFJKHBKW-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001576208666 950618150 /nfs/dbraw/zinc/61/81/50/950618150.db2.gz RWQJPLJFJKHBKW-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001576208666 950618115 /nfs/dbraw/zinc/61/81/15/950618115.db2.gz RWQJPLJFJKHBKW-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001576208666 950618078 /nfs/dbraw/zinc/61/80/78/950618078.db2.gz RWQJPLJFJKHBKW-IAOVAPTHSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001576208667 950614913 /nfs/dbraw/zinc/61/49/13/950614913.db2.gz RWQJPLJFJKHBKW-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001576208667 950614893 /nfs/dbraw/zinc/61/48/93/950614893.db2.gz RWQJPLJFJKHBKW-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001576208667 950614878 /nfs/dbraw/zinc/61/48/78/950614878.db2.gz RWQJPLJFJKHBKW-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001576208667 950614864 /nfs/dbraw/zinc/61/48/64/950614864.db2.gz RWQJPLJFJKHBKW-KBRIMQKVSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001576208668 950616251 /nfs/dbraw/zinc/61/62/51/950616251.db2.gz RWQJPLJFJKHBKW-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001576208668 950616238 /nfs/dbraw/zinc/61/62/38/950616238.db2.gz RWQJPLJFJKHBKW-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001576208668 950616230 /nfs/dbraw/zinc/61/62/30/950616230.db2.gz RWQJPLJFJKHBKW-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001576208668 950616217 /nfs/dbraw/zinc/61/62/17/950616217.db2.gz RWQJPLJFJKHBKW-XKQJLSEDSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001576208669 950613131 /nfs/dbraw/zinc/61/31/31/950613131.db2.gz RWQJPLJFJKHBKW-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001576208669 950613081 /nfs/dbraw/zinc/61/30/81/950613081.db2.gz RWQJPLJFJKHBKW-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001576208669 950613066 /nfs/dbraw/zinc/61/30/66/950613066.db2.gz RWQJPLJFJKHBKW-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001576208669 950613046 /nfs/dbraw/zinc/61/30/46/950613046.db2.gz RWQJPLJFJKHBKW-XYPHTWIQSA-N 2 2 385.472 -0.130 20 0 GBADLP CC1CC[NH+](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)CC1 ZINC001576208732 950615731 /nfs/dbraw/zinc/61/57/31/950615731.db2.gz VCCKCVXDFMDKKB-GDBMZVCRSA-N 2 2 386.460 -0.341 20 0 GBADLP C[NH+]1CCN(CC[N@@H+](CC(=O)[O-])Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001598615960 993880401 /nfs/dbraw/zinc/88/04/01/993880401.db2.gz AJIZLPGCYAMFKT-UHFFFAOYSA-N 2 2 391.520 -0.638 20 0 GBADLP C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001598615960 993880397 /nfs/dbraw/zinc/88/03/97/993880397.db2.gz AJIZLPGCYAMFKT-UHFFFAOYSA-N 2 2 391.520 -0.638 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599835322 988732216 /nfs/dbraw/zinc/73/22/16/988732216.db2.gz BHCYPXOCXHCJAR-LPHOPBHVSA-N 2 2 399.536 -0.171 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599835322 988732211 /nfs/dbraw/zinc/73/22/11/988732211.db2.gz BHCYPXOCXHCJAR-LPHOPBHVSA-N 2 2 399.536 -0.171 20 0 GBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599835333 988733570 /nfs/dbraw/zinc/73/35/70/988733570.db2.gz BHCYPXOCXHCJAR-QFBILLFUSA-N 2 2 399.536 -0.171 20 0 GBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599835333 988733567 /nfs/dbraw/zinc/73/35/67/988733567.db2.gz BHCYPXOCXHCJAR-QFBILLFUSA-N 2 2 399.536 -0.171 20 0 GBADLP CN(C(=O)c1nc2ncc(CCO)cn2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001628814373 1070794938 /nfs/dbraw/zinc/79/49/38/1070794938.db2.gz XCSIUHOXZUSKDU-INIZCTEOSA-N 2 2 387.488 -0.100 20 0 GBADLP CN(C(=O)c1nc2ncc(CCO)cn2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001628814373 1070794926 /nfs/dbraw/zinc/79/49/26/1070794926.db2.gz XCSIUHOXZUSKDU-INIZCTEOSA-N 2 2 387.488 -0.100 20 0 GBADLP CN(C(=O)c1nc2ncc(CCO)cn2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001628814374 1070794490 /nfs/dbraw/zinc/79/44/90/1070794490.db2.gz XCSIUHOXZUSKDU-MRXNPFEDSA-N 2 2 387.488 -0.100 20 0 GBADLP CN(C(=O)c1nc2ncc(CCO)cn2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001628814374 1070794483 /nfs/dbraw/zinc/79/44/83/1070794483.db2.gz XCSIUHOXZUSKDU-MRXNPFEDSA-N 2 2 387.488 -0.100 20 0 GBADLP C[C@@H](CC[NH+](C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001629830352 1070839287 /nfs/dbraw/zinc/83/92/87/1070839287.db2.gz VZHZNKFHKZBIPO-HNNXBMFYSA-N 2 2 375.539 -0.789 20 0 GBADLP C[C@H](CC[NH+](C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001629830353 1070837801 /nfs/dbraw/zinc/83/78/01/1070837801.db2.gz VZHZNKFHKZBIPO-OAHLLOKOSA-N 2 2 375.539 -0.789 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC001631145914 1070900358 /nfs/dbraw/zinc/90/03/58/1070900358.db2.gz KEMKKMSWIQYJNY-UHFFFAOYSA-N 2 2 399.536 -0.472 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC001631209605 1070902229 /nfs/dbraw/zinc/90/22/29/1070902229.db2.gz XQLUPZYOZSGYED-INIZCTEOSA-N 2 2 390.550 -0.359 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC001631209605 1070902220 /nfs/dbraw/zinc/90/22/20/1070902220.db2.gz XQLUPZYOZSGYED-INIZCTEOSA-N 2 2 390.550 -0.359 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC001631209606 1070901994 /nfs/dbraw/zinc/90/19/94/1070901994.db2.gz XQLUPZYOZSGYED-MRXNPFEDSA-N 2 2 390.550 -0.359 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC001631209606 1070901987 /nfs/dbraw/zinc/90/19/87/1070901987.db2.gz XQLUPZYOZSGYED-MRXNPFEDSA-N 2 2 390.550 -0.359 20 0 GBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCN3C(=O)CNC3=O)CC2)CC1 ZINC001631439552 1070909876 /nfs/dbraw/zinc/90/98/76/1070909876.db2.gz KOGAIMICPVYOCC-UHFFFAOYSA-N 2 2 380.493 -0.260 20 0 GBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCN3C(=O)CNC3=O)CC2)CC1 ZINC001631439552 1070909864 /nfs/dbraw/zinc/90/98/64/1070909864.db2.gz KOGAIMICPVYOCC-UHFFFAOYSA-N 2 2 380.493 -0.260 20 0 GBADLP CCn1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]c1=O ZINC001631850540 1070922535 /nfs/dbraw/zinc/92/25/35/1070922535.db2.gz MQLXZFYICAKYCV-AWEZNQCLSA-N 2 2 378.477 -0.064 20 0 GBADLP CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]c1=O ZINC001631850540 1070922530 /nfs/dbraw/zinc/92/25/30/1070922530.db2.gz MQLXZFYICAKYCV-AWEZNQCLSA-N 2 2 378.477 -0.064 20 0 GBADLP CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]c1=O ZINC001631850541 1070922703 /nfs/dbraw/zinc/92/27/03/1070922703.db2.gz MQLXZFYICAKYCV-CQSZACIVSA-N 2 2 378.477 -0.064 20 0 GBADLP CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]c1=O ZINC001631850541 1070922688 /nfs/dbraw/zinc/92/26/88/1070922688.db2.gz MQLXZFYICAKYCV-CQSZACIVSA-N 2 2 378.477 -0.064 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001632735245 1070950343 /nfs/dbraw/zinc/95/03/43/1070950343.db2.gz YGJCZMQDGABDTA-UHFFFAOYSA-N 2 2 375.477 -0.243 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001632735245 1070950336 /nfs/dbraw/zinc/95/03/36/1070950336.db2.gz YGJCZMQDGABDTA-UHFFFAOYSA-N 2 2 375.477 -0.243 20 0 GBADLP Cn1cc(S(=O)(=O)NCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC001635413476 1071046511 /nfs/dbraw/zinc/04/65/11/1071046511.db2.gz GMDRRSBBJAQAFR-UHFFFAOYSA-N 2 2 393.473 -0.516 20 0 GBADLP COCCCS(=O)(=O)NCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001635413489 1071046717 /nfs/dbraw/zinc/04/67/17/1071046717.db2.gz GSHHYWMDEOYCHW-UHFFFAOYSA-N 2 2 385.490 -0.272 20 0 GBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001635437584 1071046763 /nfs/dbraw/zinc/04/67/63/1071046763.db2.gz OZNCYZQNACMLOS-UHFFFAOYSA-N 2 2 378.539 -0.285 20 0 GBADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC001635752900 1071055998 /nfs/dbraw/zinc/05/59/98/1071055998.db2.gz YDNITXILOBMIJC-GOSISDBHSA-N 2 2 386.493 -0.557 20 0 GBADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC001635752901 1071055909 /nfs/dbraw/zinc/05/59/09/1071055909.db2.gz YDNITXILOBMIJC-SFHVURJKSA-N 2 2 386.493 -0.557 20 0 GBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637317614 1071125358 /nfs/dbraw/zinc/12/53/58/1071125358.db2.gz KRDCMWWSSZQAFW-ULQDDVLXSA-N 2 2 382.480 -0.046 20 0 GBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637317614 1071125346 /nfs/dbraw/zinc/12/53/46/1071125346.db2.gz KRDCMWWSSZQAFW-ULQDDVLXSA-N 2 2 382.480 -0.046 20 0 GBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637317615 1071125111 /nfs/dbraw/zinc/12/51/11/1071125111.db2.gz KRDCMWWSSZQAFW-YESZJQIVSA-N 2 2 382.480 -0.046 20 0 GBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637317615 1071125104 /nfs/dbraw/zinc/12/51/04/1071125104.db2.gz KRDCMWWSSZQAFW-YESZJQIVSA-N 2 2 382.480 -0.046 20 0 GBADLP C[NH+]1CCC(CCO)(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001637805573 1071148151 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IJOHXEDKOSCRFZ-UHFFFAOYSA-N 2 2 382.490 -0.313 20 0 GBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)c2)CC1 ZINC001643435825 1071334794 /nfs/dbraw/zinc/33/47/94/1071334794.db2.gz XPTGIFSPDFUOSG-CYBMUJFWSA-N 2 2 382.490 -0.313 20 0 GBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)c2)CC1 ZINC001643435826 1071335428 /nfs/dbraw/zinc/33/54/28/1071335428.db2.gz XPTGIFSPDFUOSG-ZDUSSCGKSA-N 2 2 382.490 -0.313 20 0 GBADLP CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001643501041 1071338681 /nfs/dbraw/zinc/33/86/81/1071338681.db2.gz BOWJZZNGRJRUAF-CYBMUJFWSA-N 2 2 386.460 -0.920 20 0 GBADLP CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001643501041 1071338669 /nfs/dbraw/zinc/33/86/69/1071338669.db2.gz BOWJZZNGRJRUAF-CYBMUJFWSA-N 2 2 386.460 -0.920 20 0 GBADLP CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001643501042 1071339007 /nfs/dbraw/zinc/33/90/07/1071339007.db2.gz BOWJZZNGRJRUAF-ZDUSSCGKSA-N 2 2 386.460 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20 0 GBADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)CC1=O ZINC001643827399 1071350098 /nfs/dbraw/zinc/35/00/98/1071350098.db2.gz KFOAKYPIBXXIQG-BPUTZDHNSA-N 2 2 390.488 -0.484 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)CC1=O ZINC001643827400 1071349989 /nfs/dbraw/zinc/34/99/89/1071349989.db2.gz KFOAKYPIBXXIQG-IMJJTQAJSA-N 2 2 390.488 -0.484 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)CC1=O ZINC001643827400 1071349975 /nfs/dbraw/zinc/34/99/75/1071349975.db2.gz KFOAKYPIBXXIQG-IMJJTQAJSA-N 2 2 390.488 -0.484 20 0 GBADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)CC1=O ZINC001643827400 1071349959 /nfs/dbraw/zinc/34/99/59/1071349959.db2.gz KFOAKYPIBXXIQG-IMJJTQAJSA-N 2 2 390.488 -0.484 20 0 GBADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)CC1=O ZINC001643827400 1071349943 /nfs/dbraw/zinc/34/99/43/1071349943.db2.gz KFOAKYPIBXXIQG-IMJJTQAJSA-N 2 2 390.488 -0.484 20 0 GBADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)CC1=O ZINC001643827401 1071349826 /nfs/dbraw/zinc/34/98/26/1071349826.db2.gz KFOAKYPIBXXIQG-KBMXLJTQSA-N 2 2 390.488 -0.484 20 0 GBADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)CC1=O ZINC001643827401 1071349815 /nfs/dbraw/zinc/34/98/15/1071349815.db2.gz KFOAKYPIBXXIQG-KBMXLJTQSA-N 2 2 390.488 -0.484 20 0 GBADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)CC1=O ZINC001643827401 1071349802 /nfs/dbraw/zinc/34/98/02/1071349802.db2.gz KFOAKYPIBXXIQG-KBMXLJTQSA-N 2 2 390.488 -0.484 20 0 GBADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)CC1=O ZINC001643827401 1071349788 /nfs/dbraw/zinc/34/97/88/1071349788.db2.gz KFOAKYPIBXXIQG-KBMXLJTQSA-N 2 2 390.488 -0.484 20 0 GBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC([NH2+]C2CCOCC2)C1 ZINC001644779812 1071396272 /nfs/dbraw/zinc/39/62/72/1071396272.db2.gz CGZUECAGWMLZKQ-HNNXBMFYSA-N 2 2 380.489 -0.854 20 0 GBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC([NH2+]C2CCOCC2)C1 ZINC001644779814 1071396042 /nfs/dbraw/zinc/39/60/42/1071396042.db2.gz CGZUECAGWMLZKQ-OAHLLOKOSA-N 2 2 380.489 -0.854 20 0 GBADLP C[NH+]1CCC(NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)CO)CC1 ZINC001646354099 1071444731 /nfs/dbraw/zinc/44/47/31/1071444731.db2.gz NSUGXTLMNQIOKB-HNNXBMFYSA-N 2 2 388.509 -0.623 20 0 GBADLP C[NH+]1CCC(NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)CO)CC1 ZINC001646354099 1071444723 /nfs/dbraw/zinc/44/47/23/1071444723.db2.gz NSUGXTLMNQIOKB-HNNXBMFYSA-N 2 2 388.509 -0.623 20 0 GBADLP C[NH+]1CCC(NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)CC1 ZINC001646354100 1071444922 /nfs/dbraw/zinc/44/49/22/1071444922.db2.gz NSUGXTLMNQIOKB-OAHLLOKOSA-N 2 2 388.509 -0.623 20 0 GBADLP C[NH+]1CCC(NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)CC1 ZINC001646354100 1071444905 /nfs/dbraw/zinc/44/49/05/1071444905.db2.gz NSUGXTLMNQIOKB-OAHLLOKOSA-N 2 2 388.509 -0.623 20 0 GBADLP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)C2=O ZINC001647904532 1071458738 /nfs/dbraw/zinc/45/87/38/1071458738.db2.gz XDPOYAYXULOYGC-UHFFFAOYSA-N 2 2 395.504 -0.093 20 0 GBADLP [NH3+]Cc1nccnc1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001650629587 1071500696 /nfs/dbraw/zinc/50/06/96/1071500696.db2.gz JKRJJGQECJCQKF-UHFFFAOYSA-N 2 2 377.474 -0.106 20 0 GBADLP NC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1C(N)=O ZINC001652895408 1071546653 /nfs/dbraw/zinc/54/66/53/1071546653.db2.gz UNTKPVHQIITYFK-CALCHBBNSA-N 2 2 376.457 -0.584 20 0 GBADLP NC(=O)[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1C(N)=O ZINC001652895408 1071546650 /nfs/dbraw/zinc/54/66/50/1071546650.db2.gz UNTKPVHQIITYFK-CALCHBBNSA-N 2 2 376.457 -0.584 20 0 GBADLP NC(=O)[C@@H]1C[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1C(N)=O ZINC001652895409 1071546938 /nfs/dbraw/zinc/54/69/38/1071546938.db2.gz UNTKPVHQIITYFK-IAGOWNOFSA-N 2 2 376.457 -0.584 20 0 GBADLP NC(=O)[C@H]1C[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1C(N)=O ZINC001652895410 1071547001 /nfs/dbraw/zinc/54/70/01/1071547001.db2.gz UNTKPVHQIITYFK-IRXDYDNUSA-N 2 2 376.457 -0.584 20 0 GBADLP CC(=O)N1CCC(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC001653061674 1071551565 /nfs/dbraw/zinc/55/15/65/1071551565.db2.gz ZCKAVBFPHHWZPQ-UHFFFAOYSA-N 2 2 382.505 -0.727 20 0 GBADLP C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001653945872 1071570310 /nfs/dbraw/zinc/57/03/10/1071570310.db2.gz HGMRCCWGGUDQON-CABCVRRESA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001653945872 1071570301 /nfs/dbraw/zinc/57/03/01/1071570301.db2.gz HGMRCCWGGUDQON-CABCVRRESA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001653945876 1071569620 /nfs/dbraw/zinc/56/96/20/1071569620.db2.gz HGMRCCWGGUDQON-GJZGRUSLSA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001653945876 1071569608 /nfs/dbraw/zinc/56/96/08/1071569608.db2.gz HGMRCCWGGUDQON-GJZGRUSLSA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001653945877 1071570106 /nfs/dbraw/zinc/57/01/06/1071570106.db2.gz HGMRCCWGGUDQON-HUUCEWRRSA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001653945877 1071570103 /nfs/dbraw/zinc/57/01/03/1071570103.db2.gz HGMRCCWGGUDQON-HUUCEWRRSA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001653945878 1071570253 /nfs/dbraw/zinc/57/02/53/1071570253.db2.gz HGMRCCWGGUDQON-LSDHHAIUSA-N 2 2 387.488 -0.038 20 0 GBADLP C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001653945878 1071570248 /nfs/dbraw/zinc/57/02/48/1071570248.db2.gz HGMRCCWGGUDQON-LSDHHAIUSA-N 2 2 387.488 -0.038 20 0 GBADLP CNS(=O)(=O)NC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC001654356197 1071576138 /nfs/dbraw/zinc/57/61/38/1071576138.db2.gz IFWLCNSDVQPAND-UHFFFAOYSA-N 2 2 375.539 -0.506 20 0 GBADLP CS(=O)(=O)NC[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001654721295 1071582868 /nfs/dbraw/zinc/58/28/68/1071582868.db2.gz CEGDOBKYALCQFU-INIZCTEOSA-N 2 2 395.529 -0.009 20 0 GBADLP CS(=O)(=O)NC[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001654721295 1071582860 /nfs/dbraw/zinc/58/28/60/1071582860.db2.gz CEGDOBKYALCQFU-INIZCTEOSA-N 2 2 395.529 -0.009 20 0 GBADLP CS(=O)(=O)NC[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001654721296 1071582550 /nfs/dbraw/zinc/58/25/50/1071582550.db2.gz CEGDOBKYALCQFU-MRXNPFEDSA-N 2 2 395.529 -0.009 20 0 GBADLP CS(=O)(=O)NC[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001654721296 1071582545 /nfs/dbraw/zinc/58/25/45/1071582545.db2.gz CEGDOBKYALCQFU-MRXNPFEDSA-N 2 2 395.529 -0.009 20 0 GBADLP CC[C@H](C)[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(N)=O ZINC001655571984 1071596343 /nfs/dbraw/zinc/59/63/43/1071596343.db2.gz GUQLRHDSUSAREW-WFASDCNBSA-N 2 2 388.476 -0.499 20 0 GBADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001656346447 1071606835 /nfs/dbraw/zinc/60/68/35/1071606835.db2.gz YJBJPSIWLZQNSL-REWJHTLYSA-N 2 2 376.461 -0.146 20 0 GBADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001656570915 1071611028 /nfs/dbraw/zinc/61/10/28/1071611028.db2.gz FYNVXXNZEBIUQL-XJFOESAGSA-N 2 2 376.461 -0.065 20 0 GBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC001656954095 1071616145 /nfs/dbraw/zinc/61/61/45/1071616145.db2.gz XWWOESOCMMJFTH-AWEZNQCLSA-N 2 2 397.505 -0.580 20 0 GBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC001656954095 1071616139 /nfs/dbraw/zinc/61/61/39/1071616139.db2.gz XWWOESOCMMJFTH-AWEZNQCLSA-N 2 2 397.505 -0.580 20 0 GBADLP NC(=O)Cn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nn1 ZINC001657271479 1071622589 /nfs/dbraw/zinc/62/25/89/1071622589.db2.gz QLDBMPXVGHCNLS-UHFFFAOYSA-N 2 2 385.472 -0.121 20 0 GBADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)CC1 ZINC001657661032 1071625033 /nfs/dbraw/zinc/62/50/33/1071625033.db2.gz MIMUEAKTHUDSOI-UHFFFAOYSA-N 2 2 387.546 -0.198 20 0 GBADLP CC[NH+]1CCC(C[NH+]2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001658879271 1071627856 /nfs/dbraw/zinc/62/78/56/1071627856.db2.gz KOFGWYXXBSDGTE-KRWDZBQOSA-N 2 2 386.562 -0.361 20 0 GBADLP CC[NH+]1CCC(C[NH+]2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001658879272 1071628206 /nfs/dbraw/zinc/62/82/06/1071628206.db2.gz KOFGWYXXBSDGTE-QGZVFWFLSA-N 2 2 386.562 -0.361 20 0 GBADLP C[C@@H](CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC001659501499 1071632585 /nfs/dbraw/zinc/63/25/85/1071632585.db2.gz ZODIFKPBIDCFAC-INIZCTEOSA-N 2 2 379.509 -0.027 20 0 GBADLP C[C@H](CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC001659501500 1071632895 /nfs/dbraw/zinc/63/28/95/1071632895.db2.gz ZODIFKPBIDCFAC-MRXNPFEDSA-N 2 2 379.509 -0.027 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC001660004652 1071637781 /nfs/dbraw/zinc/63/77/81/1071637781.db2.gz YYARCGSQQHYQCL-AWEZNQCLSA-N 2 2 386.460 -0.874 20 0 GBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC001660004655 1071637941 /nfs/dbraw/zinc/63/79/41/1071637941.db2.gz YYARCGSQQHYQCL-CQSZACIVSA-N 2 2 386.460 -0.874 20 0 GBADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001660944316 1071648705 /nfs/dbraw/zinc/64/87/05/1071648705.db2.gz IUMHCGXAJGTJMI-KRWDZBQOSA-N 2 2 397.545 -0.643 20 0 GBADLP COCC[NH+](CCOC)C1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001661867810 1071661969 /nfs/dbraw/zinc/66/19/69/1071661969.db2.gz OYDBQCUWVIVKTN-UHFFFAOYSA-N 2 2 378.539 -0.462 20 0 GBADLP CC(C)C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001663035753 1071678113 /nfs/dbraw/zinc/67/81/13/1071678113.db2.gz VKLKGVLUDCPPFM-CVEARBPZSA-N 2 2 389.566 -0.355 20 0 GBADLP CC(C)C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001663035754 1071678189 /nfs/dbraw/zinc/67/81/89/1071678189.db2.gz VKLKGVLUDCPPFM-HOTGVXAUSA-N 2 2 389.566 -0.355 20 0 GBADLP C[NH+]1CCN(c2ncc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cn2)CC1 ZINC001663299578 1071681428 /nfs/dbraw/zinc/68/14/28/1071681428.db2.gz XQIVUUNUQXXMLT-UHFFFAOYSA-N 2 2 390.535 -0.625 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCCS(N)(=O)=O)CC2)CC1 ZINC001667866845 1071762547 /nfs/dbraw/zinc/76/25/47/1071762547.db2.gz PPHACVZDUIARPU-UHFFFAOYSA-N 2 2 375.539 -0.087 20 0 GBADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001674100200 1071823430 /nfs/dbraw/zinc/82/34/30/1071823430.db2.gz XCUDXXOJRIZPHP-UHFFFAOYSA-N 2 2 397.520 -0.623 20 0 GBADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC001675544526 1071838202 /nfs/dbraw/zinc/83/82/02/1071838202.db2.gz QTZKRRMSWYVBFK-UHFFFAOYSA-N 2 2 382.553 -0.088 20 0 GBADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001677101449 1071860117 /nfs/dbraw/zinc/86/01/17/1071860117.db2.gz GYYSPXBFILXRGB-HNNXBMFYSA-N 2 2 390.550 -0.360 20 0 GBADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001677101449 1071860113 /nfs/dbraw/zinc/86/01/13/1071860113.db2.gz GYYSPXBFILXRGB-HNNXBMFYSA-N 2 2 390.550 -0.360 20 0 GBADLP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001677102672 1071859567 /nfs/dbraw/zinc/85/95/67/1071859567.db2.gz YNFIFLLYYHVUAT-UHFFFAOYSA-N 2 2 376.523 -0.749 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](O)CS(C)(=O)=O)CC2)CC1 ZINC001678101170 1071870746 /nfs/dbraw/zinc/87/07/46/1071870746.db2.gz JDXDBQHHJOKPGO-HNNXBMFYSA-N 2 2 376.523 -0.750 20 0 GBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H](O)CS(C)(=O)=O)CC2)CC1 ZINC001678101171 1071870734 /nfs/dbraw/zinc/87/07/34/1071870734.db2.gz JDXDBQHHJOKPGO-OAHLLOKOSA-N 2 2 376.523 -0.750 20 0 GBADLP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+](C)C1 ZINC001678314712 1071873533 /nfs/dbraw/zinc/87/35/33/1071873533.db2.gz GIYVSZMWZJGQII-AWEZNQCLSA-N 2 2 383.493 -0.715 20 0 GBADLP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+](C)C1 ZINC001678314712 1071873526 /nfs/dbraw/zinc/87/35/26/1071873526.db2.gz GIYVSZMWZJGQII-AWEZNQCLSA-N 2 2 383.493 -0.715 20 0 GBADLP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+](C)C1 ZINC001678314713 1071873463 /nfs/dbraw/zinc/87/34/63/1071873463.db2.gz GIYVSZMWZJGQII-CQSZACIVSA-N 2 2 383.493 -0.715 20 0 GBADLP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+](C)C1 ZINC001678314713 1071873457 /nfs/dbraw/zinc/87/34/57/1071873457.db2.gz GIYVSZMWZJGQII-CQSZACIVSA-N 2 2 383.493 -0.715 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001678662025 1071881605 /nfs/dbraw/zinc/88/16/05/1071881605.db2.gz CCRMPNZTXGTGIJ-INIZCTEOSA-N 2 2 390.550 -0.359 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001678662025 1071881600 /nfs/dbraw/zinc/88/16/00/1071881600.db2.gz CCRMPNZTXGTGIJ-INIZCTEOSA-N 2 2 390.550 -0.359 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001678662026 1071881229 /nfs/dbraw/zinc/88/12/29/1071881229.db2.gz CCRMPNZTXGTGIJ-MRXNPFEDSA-N 2 2 390.550 -0.359 20 0 GBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001678662026 1071881220 /nfs/dbraw/zinc/88/12/20/1071881220.db2.gz CCRMPNZTXGTGIJ-MRXNPFEDSA-N 2 2 390.550 -0.359 20 0 GBADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)C[N@H+]1CCO ZINC001678663420 1071881178 /nfs/dbraw/zinc/88/11/78/1071881178.db2.gz XERISYWCUGHVCR-CABCVRRESA-N 2 2 390.550 -0.408 20 0 GBADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)C[N@@H+]1CCO ZINC001678663420 1071881169 /nfs/dbraw/zinc/88/11/69/1071881169.db2.gz XERISYWCUGHVCR-CABCVRRESA-N 2 2 390.550 -0.408 20 0 GBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678663421 1071881540 /nfs/dbraw/zinc/88/15/40/1071881540.db2.gz XERISYWCUGHVCR-GJZGRUSLSA-N 2 2 390.550 -0.408 20 0 GBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678663421 1071881536 /nfs/dbraw/zinc/88/15/36/1071881536.db2.gz XERISYWCUGHVCR-GJZGRUSLSA-N 2 2 390.550 -0.408 20 0 GBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678663422 1071881103 /nfs/dbraw/zinc/88/11/03/1071881103.db2.gz XERISYWCUGHVCR-HUUCEWRRSA-N 2 2 390.550 -0.408 20 0 GBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678663422 1071881099 /nfs/dbraw/zinc/88/10/99/1071881099.db2.gz XERISYWCUGHVCR-HUUCEWRRSA-N 2 2 390.550 -0.408 20 0 GBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678663423 1071881498 /nfs/dbraw/zinc/88/14/98/1071881498.db2.gz XERISYWCUGHVCR-LSDHHAIUSA-N 2 2 390.550 -0.408 20 0 GBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678663423 1071881493 /nfs/dbraw/zinc/88/14/93/1071881493.db2.gz XERISYWCUGHVCR-LSDHHAIUSA-N 2 2 390.550 -0.408 20 0 GBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001681862478 1071925285 /nfs/dbraw/zinc/92/52/85/1071925285.db2.gz UIVNUGQLSCGASN-INIZCTEOSA-N 2 2 397.520 -0.493 20 0 GBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001681862478 1071925282 /nfs/dbraw/zinc/92/52/82/1071925282.db2.gz UIVNUGQLSCGASN-INIZCTEOSA-N 2 2 397.520 -0.493 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001682504052 1071935406 /nfs/dbraw/zinc/93/54/06/1071935406.db2.gz XDDXFMPHPCSSEG-KCYZZUKISA-N 2 2 375.473 -0.304 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001682504052 1071935403 /nfs/dbraw/zinc/93/54/03/1071935403.db2.gz XDDXFMPHPCSSEG-KCYZZUKISA-N 2 2 375.473 -0.304 20 0 GBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC001682924854 1071942376 /nfs/dbraw/zinc/94/23/76/1071942376.db2.gz YVFDNZLNIFRMHP-UHFFFAOYSA-N 2 2 381.521 -0.096 20 0 GBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC001682924854 1071942368 /nfs/dbraw/zinc/94/23/68/1071942368.db2.gz YVFDNZLNIFRMHP-UHFFFAOYSA-N 2 2 381.521 -0.096 20 0 GBADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001683147074 1071945600 /nfs/dbraw/zinc/94/56/00/1071945600.db2.gz HVRLOXZVWFSBQX-UHFFFAOYSA-N 2 2 383.537 -0.243 20 0 GBADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)CCc3[nH+]ccn3C)[C@@H](O)C2)CC[N@H+]1C ZINC001683614859 1071957761 /nfs/dbraw/zinc/95/77/61/1071957761.db2.gz KVYUJFYQFKTPSM-JJXSEGSLSA-N 2 2 377.489 -0.229 20 0 GBADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)CCc3[nH+]ccn3C)[C@@H](O)C2)CC[N@@H+]1C ZINC001683614859 1071957755 /nfs/dbraw/zinc/95/77/55/1071957755.db2.gz KVYUJFYQFKTPSM-JJXSEGSLSA-N 2 2 377.489 -0.229 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC001684431008 1071975055 /nfs/dbraw/zinc/97/50/55/1071975055.db2.gz FSLXJTXRTAJILX-KRWDZBQOSA-N 2 2 385.553 -0.142 20 0 GBADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC001684431009 1071975349 /nfs/dbraw/zinc/97/53/49/1071975349.db2.gz FSLXJTXRTAJILX-QGZVFWFLSA-N 2 2 385.553 -0.142 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)CS(N)(=O)=O)C2)CC1 ZINC001684625460 1071980882 /nfs/dbraw/zinc/98/08/82/1071980882.db2.gz DHEKVMMETUVXKX-CYBMUJFWSA-N 2 2 375.539 -0.231 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)CS(N)(=O)=O)C2)CC1 ZINC001684625460 1071980877 /nfs/dbraw/zinc/98/08/77/1071980877.db2.gz DHEKVMMETUVXKX-CYBMUJFWSA-N 2 2 375.539 -0.231 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)CS(N)(=O)=O)C2)CC1 ZINC001684625463 1071980779 /nfs/dbraw/zinc/98/07/79/1071980779.db2.gz DHEKVMMETUVXKX-ZDUSSCGKSA-N 2 2 375.539 -0.231 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)CS(N)(=O)=O)C2)CC1 ZINC001684625463 1071980775 /nfs/dbraw/zinc/98/07/75/1071980775.db2.gz DHEKVMMETUVXKX-ZDUSSCGKSA-N 2 2 375.539 -0.231 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC001684625847 1071981542 /nfs/dbraw/zinc/98/15/42/1071981542.db2.gz HNAFFJVZECVDLV-CABCVRRESA-N 2 2 387.550 -0.264 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC001684625847 1071981532 /nfs/dbraw/zinc/98/15/32/1071981532.db2.gz HNAFFJVZECVDLV-CABCVRRESA-N 2 2 387.550 -0.264 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC001684625849 1071981791 /nfs/dbraw/zinc/98/17/91/1071981791.db2.gz HNAFFJVZECVDLV-GJZGRUSLSA-N 2 2 387.550 -0.264 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC001684625849 1071981781 /nfs/dbraw/zinc/98/17/81/1071981781.db2.gz HNAFFJVZECVDLV-GJZGRUSLSA-N 2 2 387.550 -0.264 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC001684625850 1071981722 /nfs/dbraw/zinc/98/17/22/1071981722.db2.gz HNAFFJVZECVDLV-HUUCEWRRSA-N 2 2 387.550 -0.264 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC001684625850 1071981710 /nfs/dbraw/zinc/98/17/10/1071981710.db2.gz HNAFFJVZECVDLV-HUUCEWRRSA-N 2 2 387.550 -0.264 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC001684625851 1071982338 /nfs/dbraw/zinc/98/23/38/1071982338.db2.gz HNAFFJVZECVDLV-LSDHHAIUSA-N 2 2 387.550 -0.264 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC001684625851 1071982331 /nfs/dbraw/zinc/98/23/31/1071982331.db2.gz HNAFFJVZECVDLV-LSDHHAIUSA-N 2 2 387.550 -0.264 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCCn3cc(C(N)=O)nn3)C2)CC1 ZINC001684625998 1071982118 /nfs/dbraw/zinc/98/21/18/1071982118.db2.gz JLSMGMYRGCLNDM-AWEZNQCLSA-N 2 2 392.508 -0.375 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCCn3cc(C(N)=O)nn3)C2)CC1 ZINC001684625998 1071982109 /nfs/dbraw/zinc/98/21/09/1071982109.db2.gz JLSMGMYRGCLNDM-AWEZNQCLSA-N 2 2 392.508 -0.375 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCCn3cc(C(N)=O)nn3)C2)CC1 ZINC001684625999 1071981978 /nfs/dbraw/zinc/98/19/78/1071981978.db2.gz JLSMGMYRGCLNDM-CQSZACIVSA-N 2 2 392.508 -0.375 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCCn3cc(C(N)=O)nn3)C2)CC1 ZINC001684625999 1071981975 /nfs/dbraw/zinc/98/19/75/1071981975.db2.gz JLSMGMYRGCLNDM-CQSZACIVSA-N 2 2 392.508 -0.375 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(O)CCS(=O)(=O)CC3)C2)CC1 ZINC001684626264 1071981937 /nfs/dbraw/zinc/98/19/37/1071981937.db2.gz QUJWHWLXMUBPRK-AWEZNQCLSA-N 2 2 388.534 -0.606 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(O)CCS(=O)(=O)CC3)C2)CC1 ZINC001684626264 1071981930 /nfs/dbraw/zinc/98/19/30/1071981930.db2.gz QUJWHWLXMUBPRK-AWEZNQCLSA-N 2 2 388.534 -0.606 20 0 GBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(O)CCS(=O)(=O)CC3)C2)CC1 ZINC001684626265 1071981893 /nfs/dbraw/zinc/98/18/93/1071981893.db2.gz QUJWHWLXMUBPRK-CQSZACIVSA-N 2 2 388.534 -0.606 20 0 GBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(O)CCS(=O)(=O)CC3)C2)CC1 ZINC001684626265 1071981887 /nfs/dbraw/zinc/98/18/87/1071981887.db2.gz QUJWHWLXMUBPRK-CQSZACIVSA-N 2 2 388.534 -0.606 20 0 GBADLP CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001684626291 1071982011 /nfs/dbraw/zinc/98/20/11/1071982011.db2.gz REWBKPROFKBEHC-KBPBESRZSA-N 2 2 375.539 -0.218 20 0 GBADLP CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001684626291 1071982007 /nfs/dbraw/zinc/98/20/07/1071982007.db2.gz REWBKPROFKBEHC-KBPBESRZSA-N 2 2 375.539 -0.218 20 0 GBADLP CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001684626292 1071981487 /nfs/dbraw/zinc/98/14/87/1071981487.db2.gz REWBKPROFKBEHC-KGLIPLIRSA-N 2 2 375.539 -0.218 20 0 GBADLP CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001684626292 1071981477 /nfs/dbraw/zinc/98/14/77/1071981477.db2.gz REWBKPROFKBEHC-KGLIPLIRSA-N 2 2 375.539 -0.218 20 0 GBADLP CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001684626293 1071981415 /nfs/dbraw/zinc/98/14/15/1071981415.db2.gz REWBKPROFKBEHC-UONOGXRCSA-N 2 2 375.539 -0.218 20 0 GBADLP CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001684626293 1071981411 /nfs/dbraw/zinc/98/14/11/1071981411.db2.gz REWBKPROFKBEHC-UONOGXRCSA-N 2 2 375.539 -0.218 20 0 GBADLP CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001684626294 1071982064 /nfs/dbraw/zinc/98/20/64/1071982064.db2.gz REWBKPROFKBEHC-ZIAGYGMSSA-N 2 2 375.539 -0.218 20 0 GBADLP CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001684626294 1071982058 /nfs/dbraw/zinc/98/20/58/1071982058.db2.gz REWBKPROFKBEHC-ZIAGYGMSSA-N 2 2 375.539 -0.218 20 0 GBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001684626518 1071982243 /nfs/dbraw/zinc/98/22/43/1071982243.db2.gz XMBLRVNAZAPAOT-IHRRRGAJSA-N 2 2 383.493 -0.480 20 0 GBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001684626518 1071982230 /nfs/dbraw/zinc/98/22/30/1071982230.db2.gz XMBLRVNAZAPAOT-IHRRRGAJSA-N 2 2 383.493 -0.480 20 0 GBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001684626519 1071981597 /nfs/dbraw/zinc/98/15/97/1071981597.db2.gz XMBLRVNAZAPAOT-MELADBBJSA-N 2 2 383.493 -0.480 20 0 GBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001684626519 1071981584 /nfs/dbraw/zinc/98/15/84/1071981584.db2.gz XMBLRVNAZAPAOT-MELADBBJSA-N 2 2 383.493 -0.480 20 0 GBADLP CN(C(=O)NCc1cn(C)c(=O)[nH]c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001684855088 1071990211 /nfs/dbraw/zinc/99/02/11/1071990211.db2.gz ANLVWBFVANMSOW-HNNXBMFYSA-N 2 2 378.477 -0.204 20 0 GBADLP CN(C(=O)NCc1cn(C)c(=O)[nH]c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001684855088 1071990204 /nfs/dbraw/zinc/99/02/04/1071990204.db2.gz ANLVWBFVANMSOW-HNNXBMFYSA-N 2 2 378.477 -0.204 20 0 GBADLP CN(C(=O)NCc1cn(C)c(=O)[nH]c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001684855089 1071990262 /nfs/dbraw/zinc/99/02/62/1071990262.db2.gz ANLVWBFVANMSOW-OAHLLOKOSA-N 2 2 378.477 -0.204 20 0 GBADLP CN(C(=O)NCc1cn(C)c(=O)[nH]c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001684855089 1071990260 /nfs/dbraw/zinc/99/02/60/1071990260.db2.gz ANLVWBFVANMSOW-OAHLLOKOSA-N 2 2 378.477 -0.204 20 0 GBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001686760514 1072050214 /nfs/dbraw/zinc/05/02/14/1072050214.db2.gz SUABLXGABITSJM-UHFFFAOYSA-N 2 2 394.524 -0.175 20 0 GBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001686760514 1072050206 /nfs/dbraw/zinc/05/02/06/1072050206.db2.gz SUABLXGABITSJM-UHFFFAOYSA-N 2 2 394.524 -0.175 20 0 GBADLP COC(=O)CCNC(=O)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001687281650 1072579061 /nfs/dbraw/zinc/57/90/61/1072579061.db2.gz NSOIESBUANWRBF-UHFFFAOYSA-N 2 2 385.509 -0.277 20 0 GBADLP COC(=O)CCNC(=O)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001687281650 1072579055 /nfs/dbraw/zinc/57/90/55/1072579055.db2.gz NSOIESBUANWRBF-UHFFFAOYSA-N 2 2 385.509 -0.277 20 0 GBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001687643439 1072054701 /nfs/dbraw/zinc/05/47/01/1072054701.db2.gz UYCFGIVIFKKKRN-UHFFFAOYSA-N 2 2 385.556 -0.821 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2[NH2+]CCOCCO)cn1 ZINC001689032365 1072066257 /nfs/dbraw/zinc/06/62/57/1072066257.db2.gz YCDUTPWPKLZTIH-XLMAVXFVSA-N 2 2 388.472 -0.160 20 0 GBADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2[NH2+]CCOCCO)cn1 ZINC001689032365 1072066244 /nfs/dbraw/zinc/06/62/44/1072066244.db2.gz YCDUTPWPKLZTIH-XLMAVXFVSA-N 2 2 388.472 -0.160 20 0 GBADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001689066955 1072066559 /nfs/dbraw/zinc/06/65/59/1072066559.db2.gz JKPGYHWGQGMHTO-KCYZZUKISA-N 2 2 390.488 -0.009 20 0 GBADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001689066955 1072066554 /nfs/dbraw/zinc/06/65/54/1072066554.db2.gz JKPGYHWGQGMHTO-KCYZZUKISA-N 2 2 390.488 -0.009 20 0 GBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC(=O)N3CCCC3)[C@@H]2C)CC[NH+]1C ZINC001689294156 1072068410 /nfs/dbraw/zinc/06/84/10/1072068410.db2.gz UXANVUMKXXYRLO-VQHPVUNQSA-N 2 2 393.532 -0.356 20 0 GBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCC(=O)N3CCCC3)[C@@H]2C)CC[NH+]1C ZINC001689294156 1072068403 /nfs/dbraw/zinc/06/84/03/1072068403.db2.gz UXANVUMKXXYRLO-VQHPVUNQSA-N 2 2 393.532 -0.356 20 0 GBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC(=O)N3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001689294156 1072068394 /nfs/dbraw/zinc/06/83/94/1072068394.db2.gz UXANVUMKXXYRLO-VQHPVUNQSA-N 2 2 393.532 -0.356 20 0 GBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC(=O)N3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001689294156 1072068386 /nfs/dbraw/zinc/06/83/86/1072068386.db2.gz UXANVUMKXXYRLO-VQHPVUNQSA-N 2 2 393.532 -0.356 20 0 GBADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001691240016 1072220024 /nfs/dbraw/zinc/22/00/24/1072220024.db2.gz NATUOQXWHLVYQD-HZMVEIRTSA-N 2 2 382.505 -0.513 20 0 GBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001691250977 1072223996 /nfs/dbraw/zinc/22/39/96/1072223996.db2.gz HKSGEKUKQFZOAA-GBJTYRQASA-N 2 2 383.518 -0.053 20 0 GBADLP CCO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C[NH2+]CCO ZINC001691759429 1071892847 /nfs/dbraw/zinc/89/28/47/1071892847.db2.gz NFWFYACEEADYML-ZJPYXAASSA-N 2 2 385.505 -0.688 20 0 GBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001691978803 1072079156 /nfs/dbraw/zinc/07/91/56/1072079156.db2.gz VLBKLZQWRVTOGI-LVQVYYBASA-N 2 2 385.472 -0.413 20 0 GBADLP C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001692707283 1072084264 /nfs/dbraw/zinc/08/42/64/1072084264.db2.gz BTJKVZGIKVZQIX-CABCVRRESA-N 2 2 379.509 -0.052 20 0 GBADLP C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001692707284 1072085456 /nfs/dbraw/zinc/08/54/56/1072085456.db2.gz BTJKVZGIKVZQIX-GJZGRUSLSA-N 2 2 379.509 -0.052 20 0 GBADLP C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001692707285 1072085069 /nfs/dbraw/zinc/08/50/69/1072085069.db2.gz BTJKVZGIKVZQIX-HUUCEWRRSA-N 2 2 379.509 -0.052 20 0 GBADLP C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001692707286 1072085052 /nfs/dbraw/zinc/08/50/52/1072085052.db2.gz BTJKVZGIKVZQIX-LSDHHAIUSA-N 2 2 379.509 -0.052 20 0 GBADLP