smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000013734691 342871213 /nfs/dbraw/zinc/87/12/13/342871213.db2.gz MLPFNYSRBJKSRS-OAHLLOKOSA-N 1 3 248.414 3.112 20 0 BGADHO CCN(CC)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000013734694 356430247 /nfs/dbraw/zinc/43/02/47/356430247.db2.gz MLPFNYSRBJKSRS-HNNXBMFYSA-N 1 3 248.414 3.112 20 0 BGADHO CCC(CC)C[NH2+]CCCN1CCCC[C@@H]1C ZINC000019912971 168360172 /nfs/dbraw/zinc/36/01/72/168360172.db2.gz JBLBOSLMZUZRNG-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCC(CC)C[NH2+]CCCN1CCCC[C@H]1C ZINC000019912973 168360162 /nfs/dbraw/zinc/36/01/62/168360162.db2.gz JBLBOSLMZUZRNG-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)C[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000019913034 259385708 /nfs/dbraw/zinc/38/57/08/259385708.db2.gz WROGFJAXGBRGJM-CABCVRRESA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)C[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000019913035 347317438 /nfs/dbraw/zinc/31/74/38/347317438.db2.gz WROGFJAXGBRGJM-GJZGRUSLSA-N 1 3 240.435 3.275 20 0 BGADHO CCC(CC)[NH2+]CCCN1CCCC[C@@H]1C ZINC000019913064 168387044 /nfs/dbraw/zinc/38/70/44/168387044.db2.gz HLPCQCOMELBHOI-ZDUSSCGKSA-N 1 3 226.408 3.029 20 0 BGADHO CCC(CC)[NH2+]CCCN1CCCC[C@H]1C ZINC000019913066 168386871 /nfs/dbraw/zinc/38/68/71/168386871.db2.gz HLPCQCOMELBHOI-CYBMUJFWSA-N 1 3 226.408 3.029 20 0 BGADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCCCC1 ZINC000019913185 176071225 /nfs/dbraw/zinc/07/12/25/176071225.db2.gz UXJLRFGBQZYABT-CQSZACIVSA-N 1 3 238.419 3.173 20 0 BGADHO C[C@H]1CCCCN1CCC[NH2+]C1CCCCC1 ZINC000019913186 177074600 /nfs/dbraw/zinc/07/46/00/177074600.db2.gz UXJLRFGBQZYABT-AWEZNQCLSA-N 1 3 238.419 3.173 20 0 BGADHO CCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000019913188 169369406 /nfs/dbraw/zinc/36/94/06/169369406.db2.gz JZODEJOKJWJZAK-KGLIPLIRSA-N 1 3 226.408 3.029 20 0 BGADHO CCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000019913189 387062746 /nfs/dbraw/zinc/06/27/46/387062746.db2.gz JZODEJOKJWJZAK-KBPBESRZSA-N 1 3 226.408 3.029 20 0 BGADHO CCN(CC)CCC[NH2+]C1CCCCCC1 ZINC000019942799 590052853 /nfs/dbraw/zinc/05/28/53/590052853.db2.gz PRHBDNFJKYYAHZ-UHFFFAOYSA-N 1 3 226.408 3.031 20 0 BGADHO CCN(CC)CCC[NH2+]C1CCCCCCC1 ZINC000019942801 590053016 /nfs/dbraw/zinc/05/30/16/590053016.db2.gz GBGSLLBZLXQQQS-UHFFFAOYSA-N 1 3 240.435 3.421 20 0 BGADHO CCC1CCC([NH2+]CCCN(CC)CC)CC1 ZINC000019942803 347325209 /nfs/dbraw/zinc/32/52/09/347325209.db2.gz OUUTVUAWDZRJKJ-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO CCN(CC)CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019942827 347324892 /nfs/dbraw/zinc/32/48/92/347324892.db2.gz HZWIFQYUWROUBL-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000019942832 347325153 /nfs/dbraw/zinc/32/51/53/347325153.db2.gz HZWIFQYUWROUBL-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000019942893 259386412 /nfs/dbraw/zinc/38/64/12/259386412.db2.gz SNJQMCSSHLRFCW-HNNXBMFYSA-N 1 3 248.414 3.378 20 0 BGADHO CCN(CC)CCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000019942894 347325192 /nfs/dbraw/zinc/32/51/92/347325192.db2.gz SNJQMCSSHLRFCW-OAHLLOKOSA-N 1 3 248.414 3.378 20 0 BGADHO CC[C@@H]([NH2+]CCCN(CC)CC)c1ccccc1 ZINC000019942896 387065261 /nfs/dbraw/zinc/06/52/61/387065261.db2.gz ADTDDHKSGFDJJK-MRXNPFEDSA-N 1 3 248.414 3.459 20 0 BGADHO CC[C@H]([NH2+]CCCN(CC)CC)c1ccccc1 ZINC000019942899 356994740 /nfs/dbraw/zinc/99/47/40/356994740.db2.gz ADTDDHKSGFDJJK-INIZCTEOSA-N 1 3 248.414 3.459 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H](C)c1ccccc1C ZINC000019943094 259386386 /nfs/dbraw/zinc/38/63/86/259386386.db2.gz YRMZNVDKCXWBER-HNNXBMFYSA-N 1 3 248.414 3.378 20 0 BGADHO CCN(CC)CCC[NH2+][C@H](C)c1ccccc1C ZINC000019943095 347325976 /nfs/dbraw/zinc/32/59/76/347325976.db2.gz YRMZNVDKCXWBER-OAHLLOKOSA-N 1 3 248.414 3.378 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H](C)CCC(C)C ZINC000019943300 350869647 /nfs/dbraw/zinc/86/96/47/350869647.db2.gz UHPJPXLTXXNNPB-AWEZNQCLSA-N 1 3 228.424 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@H](C)CCC(C)C ZINC000019943303 350869953 /nfs/dbraw/zinc/86/99/53/350869953.db2.gz UHPJPXLTXXNNPB-CQSZACIVSA-N 1 3 228.424 3.133 20 0 BGADHO CC(C)C[C@@H](NCCC[NH+](C)C)c1ccccc1 ZINC000019958808 356995416 /nfs/dbraw/zinc/99/54/16/356995416.db2.gz FKHANGZVVQYBIN-MRXNPFEDSA-N 1 3 248.414 3.315 20 0 BGADHO CC(C)C[C@H](NCCC[NH+](C)C)c1ccccc1 ZINC000019958813 387065174 /nfs/dbraw/zinc/06/51/74/387065174.db2.gz FKHANGZVVQYBIN-INIZCTEOSA-N 1 3 248.414 3.315 20 0 BGADHO CCC[C@@H](NCCC[NH+](C)C)c1ccccc1 ZINC000019959375 169399893 /nfs/dbraw/zinc/39/98/93/169399893.db2.gz BZZYNGFXVBJPBK-OAHLLOKOSA-N 1 3 234.387 3.069 20 0 BGADHO CCC[C@H](NCCC[NH+](C)C)c1ccccc1 ZINC000019959379 350916533 /nfs/dbraw/zinc/91/65/33/350916533.db2.gz BZZYNGFXVBJPBK-HNNXBMFYSA-N 1 3 234.387 3.069 20 0 BGADHO C(C[NH2+]CC1CCCCC1)CN1CCCCC1 ZINC000019991561 188248464 /nfs/dbraw/zinc/24/84/64/188248464.db2.gz HHDUQGJUAIXASQ-UHFFFAOYSA-N 1 3 238.419 3.032 20 0 BGADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCN1CCCC1 ZINC000020002507 259387137 /nfs/dbraw/zinc/38/71/37/259387137.db2.gz CIAWEGJPFNEFIX-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H](C[C@@H](C)CC)[NH2+]CCCN1CCCC1 ZINC000020002510 259387142 /nfs/dbraw/zinc/38/71/42/259387142.db2.gz CIAWEGJPFNEFIX-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@@H](C)C[C@H](CC)[NH2+]CCCN1CCCC1 ZINC000020002513 259387155 /nfs/dbraw/zinc/38/71/55/259387155.db2.gz CIAWEGJPFNEFIX-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+]CCCN1CCCC1 ZINC000020002516 259387178 /nfs/dbraw/zinc/38/71/78/259387178.db2.gz CIAWEGJPFNEFIX-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[C@@H](C)C[NH2+]CCCN1CCCC[C@@H]1C ZINC000020008653 169358680 /nfs/dbraw/zinc/35/86/80/169358680.db2.gz YCTMYKYMDNQVKA-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCC[C@H](C)C[NH2+]CCCN1CCCC[C@@H]1C ZINC000020008655 387067589 /nfs/dbraw/zinc/06/75/89/387067589.db2.gz YCTMYKYMDNQVKA-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO Cc1cc(C)c([C@@H](C)NCCC[NH+](C)C)cc1C ZINC000020091841 385299642 /nfs/dbraw/zinc/29/96/42/385299642.db2.gz SXDJTRGEZPLZBJ-OAHLLOKOSA-N 1 3 248.414 3.214 20 0 BGADHO Cc1cc(C)c([C@H](C)NCCC[NH+](C)C)cc1C ZINC000020091843 385299707 /nfs/dbraw/zinc/29/97/07/385299707.db2.gz SXDJTRGEZPLZBJ-HNNXBMFYSA-N 1 3 248.414 3.214 20 0 BGADHO CC[NH+]1CCC(N[C@@H](C)c2ccccc2C)CC1 ZINC000020126118 363026621 /nfs/dbraw/zinc/02/66/21/363026621.db2.gz LWPRYZSEBGGHMD-AWEZNQCLSA-N 1 3 246.398 3.130 20 0 BGADHO CC[NH+]1CCC(N[C@H](C)c2ccccc2C)CC1 ZINC000020126119 363027254 /nfs/dbraw/zinc/02/72/54/363027254.db2.gz LWPRYZSEBGGHMD-CQSZACIVSA-N 1 3 246.398 3.130 20 0 BGADHO C(C[NH2+]C1CCCCCCC1)CN1CCCC1 ZINC000020128937 590077316 /nfs/dbraw/zinc/07/73/16/590077316.db2.gz NXWCHYSICSXSSS-UHFFFAOYSA-N 1 3 238.419 3.175 20 0 BGADHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000020128991 384582581 /nfs/dbraw/zinc/58/25/81/384582581.db2.gz YJBLXZKAHBWXLO-OAHLLOKOSA-N 1 3 246.398 3.132 20 0 BGADHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000020128992 351942772 /nfs/dbraw/zinc/94/27/72/351942772.db2.gz YJBLXZKAHBWXLO-HNNXBMFYSA-N 1 3 246.398 3.132 20 0 BGADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccccc1 ZINC000020128993 385783376 /nfs/dbraw/zinc/78/33/76/385783376.db2.gz UTZPOXCEIOWOIQ-MRXNPFEDSA-N 1 3 246.398 3.213 20 0 BGADHO CC[C@@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000020128993 385783371 /nfs/dbraw/zinc/78/33/71/385783371.db2.gz UTZPOXCEIOWOIQ-MRXNPFEDSA-N 1 3 246.398 3.213 20 0 BGADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccccc1 ZINC000020128994 351939824 /nfs/dbraw/zinc/93/98/24/351939824.db2.gz UTZPOXCEIOWOIQ-INIZCTEOSA-N 1 3 246.398 3.213 20 0 BGADHO CC[C@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000020128994 351939822 /nfs/dbraw/zinc/93/98/22/351939822.db2.gz UTZPOXCEIOWOIQ-INIZCTEOSA-N 1 3 246.398 3.213 20 0 BGADHO Cc1ccccc1[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000020129075 179321931 /nfs/dbraw/zinc/32/19/31/179321931.db2.gz FGMAWHAOMBDESY-OAHLLOKOSA-N 1 3 246.398 3.132 20 0 BGADHO Cc1ccccc1[C@H](C)[NH2+]CCCN1CCCC1 ZINC000020129076 179336998 /nfs/dbraw/zinc/33/69/98/179336998.db2.gz FGMAWHAOMBDESY-HNNXBMFYSA-N 1 3 246.398 3.132 20 0 BGADHO CCCC(CCC)[NH2+]CCCN1CCCC1 ZINC000020129137 259389398 /nfs/dbraw/zinc/38/93/98/259389398.db2.gz DRRODSVWSWDELX-UHFFFAOYSA-N 1 3 226.408 3.031 20 0 BGADHO CCC(CC)C[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143169 168359753 /nfs/dbraw/zinc/35/97/53/168359753.db2.gz JTDCPIACQBFFAQ-UHFFFAOYSA-N 1 3 240.435 3.321 20 0 BGADHO CC(C)C[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143237 259389463 /nfs/dbraw/zinc/38/94/63/259389463.db2.gz GCTNFJSLLDWNHA-GFCCVEGCSA-N 1 3 240.435 3.320 20 0 BGADHO CC(C)C[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143240 259389136 /nfs/dbraw/zinc/38/91/36/259389136.db2.gz GCTNFJSLLDWNHA-LBPRGKRZSA-N 1 3 240.435 3.320 20 0 BGADHO CCC[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143421 169369763 /nfs/dbraw/zinc/36/97/63/169369763.db2.gz JKFRKRHTZOLRSE-LLVKDONJSA-N 1 3 226.408 3.074 20 0 BGADHO CCC[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143423 385316818 /nfs/dbraw/zinc/31/68/18/385316818.db2.gz JKFRKRHTZOLRSE-NSHDSACASA-N 1 3 226.408 3.074 20 0 BGADHO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143487 259389702 /nfs/dbraw/zinc/38/97/02/259389702.db2.gz SQAQIXQEPKMEOF-VXGBXAGGSA-N 1 3 240.435 3.320 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143489 259389903 /nfs/dbraw/zinc/38/99/03/259389903.db2.gz SQAQIXQEPKMEOF-NWDGAFQWSA-N 1 3 240.435 3.320 20 0 BGADHO CC[C@@H](C)[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143491 259389901 /nfs/dbraw/zinc/38/99/01/259389901.db2.gz SQAQIXQEPKMEOF-NEPJUHHUSA-N 1 3 240.435 3.320 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143493 259389796 /nfs/dbraw/zinc/38/97/96/259389796.db2.gz SQAQIXQEPKMEOF-RYUDHWBXSA-N 1 3 240.435 3.320 20 0 BGADHO Cc1cc(C)c([C@@H](C)N2CCC([NH3+])CC2)c(C)c1 ZINC000020521455 357936695 /nfs/dbraw/zinc/93/66/95/357936695.db2.gz BHSMZBOZTGSVRI-CQSZACIVSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cc(C)c([C@H](C)N2CCC([NH3+])CC2)c(C)c1 ZINC000020521456 357936947 /nfs/dbraw/zinc/93/69/47/357936947.db2.gz BHSMZBOZTGSVRI-AWEZNQCLSA-N 1 3 246.398 3.096 20 0 BGADHO CCC(CC)C[NH2+]CCCN1CCC(C)CC1 ZINC000020545541 168360356 /nfs/dbraw/zinc/36/03/56/168360356.db2.gz DDMIKAFXDDSGMS-UHFFFAOYSA-N 1 3 240.435 3.134 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000021008866 386205486 /nfs/dbraw/zinc/20/54/86/386205486.db2.gz CJNAJELMBAIAMR-SOUVJXGZSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000021008868 386206562 /nfs/dbraw/zinc/20/65/62/386206562.db2.gz CJNAJELMBAIAMR-KKUMJFAQSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)C[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000021517779 259309506 /nfs/dbraw/zinc/30/95/06/259309506.db2.gz NKYUGNHTTQLMBX-OAHLLOKOSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)C[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000021517780 386476776 /nfs/dbraw/zinc/47/67/76/386476776.db2.gz NKYUGNHTTQLMBX-HNNXBMFYSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@@H]1CCCC[N@@H+]1CCCN1CCCC[C@@H]1C ZINC000034104249 387020918 /nfs/dbraw/zinc/02/09/18/387020918.db2.gz CMVZHMNTXZVOMV-GASCZTMLSA-N 1 3 238.419 3.125 20 0 BGADHO C[C@@H]1CCCC[N@H+]1CCCN1CCCC[C@@H]1C ZINC000034104249 387020914 /nfs/dbraw/zinc/02/09/14/387020914.db2.gz CMVZHMNTXZVOMV-GASCZTMLSA-N 1 3 238.419 3.125 20 0 BGADHO C[C@@H]1CCCCN1CCC[N@H+]1CCCC[C@@H]1C ZINC000034104249 387020912 /nfs/dbraw/zinc/02/09/12/387020912.db2.gz CMVZHMNTXZVOMV-GASCZTMLSA-N 1 3 238.419 3.125 20 0 BGADHO C[C@@H]1CCCCN1CCC[N@@H+]1CCCC[C@@H]1C ZINC000034104249 387020910 /nfs/dbraw/zinc/02/09/10/387020910.db2.gz CMVZHMNTXZVOMV-GASCZTMLSA-N 1 3 238.419 3.125 20 0 BGADHO C[C@H]1CCCCN1CCC[N@H+]1CCCC[C@@H]1C ZINC000034104250 387019637 /nfs/dbraw/zinc/01/96/37/387019637.db2.gz CMVZHMNTXZVOMV-GJZGRUSLSA-N 1 3 238.419 3.125 20 0 BGADHO C[C@H]1CCCCN1CCC[N@@H+]1CCCC[C@@H]1C ZINC000034104250 387019634 /nfs/dbraw/zinc/01/96/34/387019634.db2.gz CMVZHMNTXZVOMV-GJZGRUSLSA-N 1 3 238.419 3.125 20 0 BGADHO C[C@H]([NH2+]CCCN(C)C)c1ccc(Cl)s1 ZINC000035285913 384403639 /nfs/dbraw/zinc/40/36/39/384403639.db2.gz DDWVBUFUTANVCV-VIFPVBQESA-N 1 3 246.807 3.004 20 0 BGADHO C[C@@H]([NH2+]CCCN(C)C)c1ccc(Cl)s1 ZINC000035285914 384403295 /nfs/dbraw/zinc/40/32/95/384403295.db2.gz DDWVBUFUTANVCV-SECBINFHSA-N 1 3 246.807 3.004 20 0 BGADHO CC(C)C[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000036122749 359659882 /nfs/dbraw/zinc/65/98/82/359659882.db2.gz WROGFJAXGBRGJM-LSDHHAIUSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)c1ccc(CN(CCC[NH3+])C2CC2)cc1 ZINC000036732088 358462463 /nfs/dbraw/zinc/46/24/63/358462463.db2.gz RGZGXRULVKOSHV-UHFFFAOYSA-N 1 3 246.398 3.123 20 0 BGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1(C)CC1 ZINC000036984276 387558264 /nfs/dbraw/zinc/55/82/64/387558264.db2.gz ZZNGQMCOTXPRLY-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1(C)CC1 ZINC000036984277 177075386 /nfs/dbraw/zinc/07/53/86/177075386.db2.gz ZZNGQMCOTXPRLY-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CCCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000037150203 384486342 /nfs/dbraw/zinc/48/63/42/384486342.db2.gz ZVJYKXZVSXYMGN-UHFFFAOYSA-N 1 3 246.398 3.041 20 0 BGADHO CCCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000037200191 388595561 /nfs/dbraw/zinc/59/55/61/388595561.db2.gz VURIRYBKNLMTEH-CABCVRRESA-N 1 3 240.435 3.419 20 0 BGADHO CCCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000037200193 388595659 /nfs/dbraw/zinc/59/56/59/388595659.db2.gz VURIRYBKNLMTEH-GJZGRUSLSA-N 1 3 240.435 3.419 20 0 BGADHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C(C)C ZINC000037200194 388595466 /nfs/dbraw/zinc/59/54/66/388595466.db2.gz GLWHJHOQCAPWGH-GJZGRUSLSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C(C)C ZINC000037200196 388595357 /nfs/dbraw/zinc/59/53/57/388595357.db2.gz GLWHJHOQCAPWGH-LSDHHAIUSA-N 1 3 240.435 3.275 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H](C)C1CCCCC1 ZINC000037210960 324434783 /nfs/dbraw/zinc/43/47/83/324434783.db2.gz JRASBPIRWZZRFT-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCN(CC)CCC[NH2+][C@H](C)C1CCCCC1 ZINC000037210961 388598557 /nfs/dbraw/zinc/59/85/57/388598557.db2.gz JRASBPIRWZZRFT-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@H](NCCC[NH+](C)C)c1ccccc1 ZINC000037213673 169011741 /nfs/dbraw/zinc/01/17/41/169011741.db2.gz IPUAQTKLAFULLX-INIZCTEOSA-N 1 3 248.414 3.459 20 0 BGADHO CCCC[C@@H](NCCC[NH+](C)C)c1ccccc1 ZINC000037213674 358470657 /nfs/dbraw/zinc/47/06/57/358470657.db2.gz IPUAQTKLAFULLX-MRXNPFEDSA-N 1 3 248.414 3.459 20 0 BGADHO CCc1ccc([C@@H](CC)NCCC[NH+](C)C)cc1 ZINC000037223861 387562438 /nfs/dbraw/zinc/56/24/38/387562438.db2.gz FGUCSUHUDLMLKP-MRXNPFEDSA-N 1 3 248.414 3.241 20 0 BGADHO CCc1ccc([C@H](CC)NCCC[NH+](C)C)cc1 ZINC000037223862 387563076 /nfs/dbraw/zinc/56/30/76/387563076.db2.gz FGUCSUHUDLMLKP-INIZCTEOSA-N 1 3 248.414 3.241 20 0 BGADHO C[C@H]([NH2+]CCCN1CCCC1)C1CCCCC1 ZINC000037229488 176844841 /nfs/dbraw/zinc/84/48/41/176844841.db2.gz HTBOIFAMKKFHLF-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@@H]([NH2+]CCCN1CCCC1)C1CCCCC1 ZINC000037229490 387561645 /nfs/dbraw/zinc/56/16/45/387561645.db2.gz HTBOIFAMKKFHLF-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO Cc1cccc([C@@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000037229500 358470262 /nfs/dbraw/zinc/47/02/62/358470262.db2.gz AHWBPUJVTDRNGU-OAHLLOKOSA-N 1 3 246.398 3.132 20 0 BGADHO Cc1cccc([C@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000037229502 179194514 /nfs/dbraw/zinc/19/45/14/179194514.db2.gz AHWBPUJVTDRNGU-HNNXBMFYSA-N 1 3 246.398 3.132 20 0 BGADHO CCCC[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000037232517 388605866 /nfs/dbraw/zinc/60/58/66/388605866.db2.gz LAGJPJWCAGCHSD-GFCCVEGCSA-N 1 3 240.435 3.464 20 0 BGADHO CCCC[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000037232518 388606401 /nfs/dbraw/zinc/60/64/01/388606401.db2.gz LAGJPJWCAGCHSD-LBPRGKRZSA-N 1 3 240.435 3.464 20 0 BGADHO CCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000037241948 169255950 /nfs/dbraw/zinc/25/59/50/169255950.db2.gz FANCPOJKMFBDNV-DZGCQCFKSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000037241948 169255947 /nfs/dbraw/zinc/25/59/47/169255947.db2.gz FANCPOJKMFBDNV-DZGCQCFKSA-N 1 3 238.419 3.029 20 0 BGADHO CCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000037241949 169255236 /nfs/dbraw/zinc/25/52/36/169255236.db2.gz FANCPOJKMFBDNV-ZFWWWQNUSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000037241949 169255234 /nfs/dbraw/zinc/25/52/34/169255234.db2.gz FANCPOJKMFBDNV-ZFWWWQNUSA-N 1 3 238.419 3.029 20 0 BGADHO CCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000037241951 169255829 /nfs/dbraw/zinc/25/58/29/169255829.db2.gz FANCPOJKMFBDNV-UKRRQHHQSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000037241951 169255827 /nfs/dbraw/zinc/25/58/27/169255827.db2.gz FANCPOJKMFBDNV-UKRRQHHQSA-N 1 3 238.419 3.029 20 0 BGADHO CCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000037241953 169256202 /nfs/dbraw/zinc/25/62/02/169256202.db2.gz FANCPOJKMFBDNV-HIFRSBDPSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000037241953 169256201 /nfs/dbraw/zinc/25/62/01/169256201.db2.gz FANCPOJKMFBDNV-HIFRSBDPSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000037255810 169255453 /nfs/dbraw/zinc/25/54/53/169255453.db2.gz VYBIVASDLVFXCJ-DZGCQCFKSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000037255812 169255437 /nfs/dbraw/zinc/25/54/37/169255437.db2.gz VYBIVASDLVFXCJ-ZFWWWQNUSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000037255814 169255367 /nfs/dbraw/zinc/25/53/67/169255367.db2.gz VYBIVASDLVFXCJ-UKRRQHHQSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000037255816 169255259 /nfs/dbraw/zinc/25/52/59/169255259.db2.gz VYBIVASDLVFXCJ-HIFRSBDPSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000037259767 169255962 /nfs/dbraw/zinc/25/59/62/169255962.db2.gz ZAUAPETYXZRILZ-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@@H+](CCCNC(C)C)C1CCCCC1 ZINC000037480272 488185112 /nfs/dbraw/zinc/18/51/12/488185112.db2.gz RQKDKQYBSRADLP-UHFFFAOYSA-N 1 3 226.408 3.029 20 0 BGADHO CC[N@H+](CCCNC(C)C)C1CCCCC1 ZINC000037480272 488185109 /nfs/dbraw/zinc/18/51/09/488185109.db2.gz RQKDKQYBSRADLP-UHFFFAOYSA-N 1 3 226.408 3.029 20 0 BGADHO C[C@@H]1CCCCN1CCC[NH2+]CCC(C)(C)C ZINC000037488999 176070186 /nfs/dbraw/zinc/07/01/86/176070186.db2.gz RUWYJJKIERTSJI-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO C[C@H]1CCCCN1CCC[NH2+]CCC(C)(C)C ZINC000037489000 177075498 /nfs/dbraw/zinc/07/54/98/177075498.db2.gz RUWYJJKIERTSJI-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644097 343350162 /nfs/dbraw/zinc/35/01/62/343350162.db2.gz SEDSPNXNTVJFQG-HOCLYGCPSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000037644097 343350160 /nfs/dbraw/zinc/35/01/60/343350160.db2.gz SEDSPNXNTVJFQG-HOCLYGCPSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccccc1 ZINC000037644097 343350157 /nfs/dbraw/zinc/35/01/57/343350157.db2.gz SEDSPNXNTVJFQG-HOCLYGCPSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644098 383990797 /nfs/dbraw/zinc/99/07/97/383990797.db2.gz SEDSPNXNTVJFQG-GOEBONIOSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000037644098 383990790 /nfs/dbraw/zinc/99/07/90/383990790.db2.gz SEDSPNXNTVJFQG-GOEBONIOSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccccc1 ZINC000037644098 383990784 /nfs/dbraw/zinc/99/07/84/383990784.db2.gz SEDSPNXNTVJFQG-GOEBONIOSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644099 343350323 /nfs/dbraw/zinc/35/03/23/343350323.db2.gz SEDSPNXNTVJFQG-ZBFHGGJFSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000037644099 343350322 /nfs/dbraw/zinc/35/03/22/343350322.db2.gz SEDSPNXNTVJFQG-ZBFHGGJFSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccccc1 ZINC000037644099 343350320 /nfs/dbraw/zinc/35/03/20/343350320.db2.gz SEDSPNXNTVJFQG-ZBFHGGJFSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037644100 383991203 /nfs/dbraw/zinc/99/12/03/383991203.db2.gz SEDSPNXNTVJFQG-GDBMZVCRSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000037644100 383991202 /nfs/dbraw/zinc/99/12/02/383991202.db2.gz SEDSPNXNTVJFQG-GDBMZVCRSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccccc1 ZINC000037644100 383991198 /nfs/dbraw/zinc/99/11/98/383991198.db2.gz SEDSPNXNTVJFQG-GDBMZVCRSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[C@H](NCCC[NH3+])c1ccc(Cl)cc1 ZINC000037713491 358476322 /nfs/dbraw/zinc/47/63/22/358476322.db2.gz XBFLGWWMUWIBPA-ZDUSSCGKSA-N 1 3 240.778 3.120 20 0 BGADHO CCC[C@@H](NCCC[NH3+])c1ccc(Cl)cc1 ZINC000037713492 169399971 /nfs/dbraw/zinc/39/99/71/169399971.db2.gz XBFLGWWMUWIBPA-CYBMUJFWSA-N 1 3 240.778 3.120 20 0 BGADHO NCCC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000037713499 181382923 /nfs/dbraw/zinc/38/29/23/181382923.db2.gz DHTODUPJZJZQQM-INIZCTEOSA-N 1 3 246.398 3.246 20 0 BGADHO [NH3+]CCCN[C@@H](c1ccccc1)C1CCCCC1 ZINC000037713499 181382921 /nfs/dbraw/zinc/38/29/21/181382921.db2.gz DHTODUPJZJZQQM-INIZCTEOSA-N 1 3 246.398 3.246 20 0 BGADHO NCCC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000037713500 181383746 /nfs/dbraw/zinc/38/37/46/181383746.db2.gz DHTODUPJZJZQQM-MRXNPFEDSA-N 1 3 246.398 3.246 20 0 BGADHO [NH3+]CCCN[C@H](c1ccccc1)C1CCCCC1 ZINC000037713500 181383743 /nfs/dbraw/zinc/38/37/43/181383743.db2.gz DHTODUPJZJZQQM-MRXNPFEDSA-N 1 3 246.398 3.246 20 0 BGADHO CCCCc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000037713529 169022420 /nfs/dbraw/zinc/02/24/20/169022420.db2.gz OEJDUKXIRVWEMZ-CYBMUJFWSA-N 1 3 234.387 3.029 20 0 BGADHO CCCCc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000037713530 169023040 /nfs/dbraw/zinc/02/30/40/169023040.db2.gz OEJDUKXIRVWEMZ-ZDUSSCGKSA-N 1 3 234.387 3.029 20 0 BGADHO NCCC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000037713751 181383977 /nfs/dbraw/zinc/38/39/77/181383977.db2.gz CAKGFPDGJSNVRL-GJZGRUSLSA-N 1 3 238.419 3.064 20 0 BGADHO NCCC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000037713752 181383415 /nfs/dbraw/zinc/38/34/15/181383415.db2.gz CAKGFPDGJSNVRL-CABCVRRESA-N 1 3 238.419 3.064 20 0 BGADHO NCCC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000037713753 181383925 /nfs/dbraw/zinc/38/39/25/181383925.db2.gz CAKGFPDGJSNVRL-LSDHHAIUSA-N 1 3 238.419 3.064 20 0 BGADHO NCCC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000037713754 181384134 /nfs/dbraw/zinc/38/41/34/181384134.db2.gz CAKGFPDGJSNVRL-HUUCEWRRSA-N 1 3 238.419 3.064 20 0 BGADHO CCCCC[C@H](NCCC[NH3+])c1ccccc1 ZINC000037713784 712749891 /nfs/dbraw/zinc/74/98/91/712749891.db2.gz GTVQCXNLIPUMRJ-HNNXBMFYSA-N 1 3 234.387 3.246 20 0 BGADHO CCCCC[C@@H](NCCC[NH3+])c1ccccc1 ZINC000037713785 712749818 /nfs/dbraw/zinc/74/98/18/712749818.db2.gz GTVQCXNLIPUMRJ-OAHLLOKOSA-N 1 3 234.387 3.246 20 0 BGADHO CC(C)(C)C[C@H](NCCC[NH3+])c1ccccc1 ZINC000037713870 358476392 /nfs/dbraw/zinc/47/63/92/358476392.db2.gz AZPUDRHLLFDTAF-AWEZNQCLSA-N 1 3 234.387 3.102 20 0 BGADHO CC(C)(C)C[C@@H](NCCC[NH3+])c1ccccc1 ZINC000037713871 358476712 /nfs/dbraw/zinc/47/67/12/358476712.db2.gz AZPUDRHLLFDTAF-CQSZACIVSA-N 1 3 234.387 3.102 20 0 BGADHO CCC(CC)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000037786345 168360575 /nfs/dbraw/zinc/36/05/75/168360575.db2.gz QGPACVUVWVFQGX-UHFFFAOYSA-N 1 3 240.435 3.275 20 0 BGADHO CCCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000037786390 712756988 /nfs/dbraw/zinc/75/69/88/712756988.db2.gz POYLYRDBPKWNCR-UHFFFAOYSA-N 1 3 240.435 3.419 20 0 BGADHO CC(C)(C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000037786554 363898055 /nfs/dbraw/zinc/89/80/55/363898055.db2.gz GJBODLDMKGHUHO-UHFFFAOYSA-N 1 3 246.398 3.039 20 0 BGADHO CCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000037786569 324577058 /nfs/dbraw/zinc/57/70/58/324577058.db2.gz PMHWCERVFINZPR-UHFFFAOYSA-N 1 3 226.408 3.029 20 0 BGADHO CCC(CC)[NH2+]CCCN(C)C1CCCCC1 ZINC000037901105 168387759 /nfs/dbraw/zinc/38/77/59/168387759.db2.gz SRKDKDTUVYSIGN-UHFFFAOYSA-N 1 3 240.435 3.419 20 0 BGADHO CC(C)[C@@H](C)[NH2+]CCCN(C)C1CCCCC1 ZINC000037901115 167381101 /nfs/dbraw/zinc/38/11/01/167381101.db2.gz GTPNYJLBAMDBQY-CQSZACIVSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)[C@H](C)[NH2+]CCCN(C)C1CCCCC1 ZINC000037901116 363899620 /nfs/dbraw/zinc/89/96/20/363899620.db2.gz GTPNYJLBAMDBQY-AWEZNQCLSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H](C)[NH2+]CCCN(C)C1CCCCC1 ZINC000037901128 388649359 /nfs/dbraw/zinc/64/93/59/388649359.db2.gz KGLYTQGRVQNNET-CYBMUJFWSA-N 1 3 226.408 3.029 20 0 BGADHO CC[C@H](C)[NH2+]CCCN(C)C1CCCCC1 ZINC000037901129 388649343 /nfs/dbraw/zinc/64/93/43/388649343.db2.gz KGLYTQGRVQNNET-ZDUSSCGKSA-N 1 3 226.408 3.029 20 0 BGADHO CCC[C@@H](C)[NH2+]CCCN(C)C1CCCCC1 ZINC000037901130 169369665 /nfs/dbraw/zinc/36/96/65/169369665.db2.gz MRXPZKSYOHDGPK-CQSZACIVSA-N 1 3 240.435 3.419 20 0 BGADHO CCC[C@H](C)[NH2+]CCCN(C)C1CCCCC1 ZINC000037901131 388649471 /nfs/dbraw/zinc/64/94/71/388649471.db2.gz MRXPZKSYOHDGPK-AWEZNQCLSA-N 1 3 240.435 3.419 20 0 BGADHO CC[C@@H](C)C[NH2+]CCCN(C)C1CCCCC1 ZINC000037901137 363899337 /nfs/dbraw/zinc/89/93/37/363899337.db2.gz BVAKYTMSSNYUAQ-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H](C)C[NH2+]CCCN(C)C1CCCCC1 ZINC000037901138 171284706 /nfs/dbraw/zinc/28/47/06/171284706.db2.gz BVAKYTMSSNYUAQ-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000037996425 343364441 /nfs/dbraw/zinc/36/44/41/343364441.db2.gz CJWGJZWKKBCUSL-AWEZNQCLSA-N 1 3 246.398 3.130 20 0 BGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(C)cc2)CC1 ZINC000037996426 343364456 /nfs/dbraw/zinc/36/44/56/343364456.db2.gz CJWGJZWKKBCUSL-CQSZACIVSA-N 1 3 246.398 3.130 20 0 BGADHO CCC(CC)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000037997583 168361321 /nfs/dbraw/zinc/36/13/21/168361321.db2.gz LNFMANZOPJYFAI-CQSZACIVSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000037997584 168361550 /nfs/dbraw/zinc/36/15/50/168361550.db2.gz LNFMANZOPJYFAI-AWEZNQCLSA-N 1 3 240.435 3.134 20 0 BGADHO C[C@@H](C[NH2+]C1CCCCC1)CN1CCCCC1 ZINC000037997610 712798027 /nfs/dbraw/zinc/79/80/27/712798027.db2.gz VIQVCLQOLMWLDB-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@H](C[NH2+]C1CCCCC1)CN1CCCCC1 ZINC000037997611 712797960 /nfs/dbraw/zinc/79/79/60/712797960.db2.gz VIQVCLQOLMWLDB-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000158 712798251 /nfs/dbraw/zinc/79/82/51/712798251.db2.gz DUCJXMGLBBGNHT-GJZGRUSLSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000159 712798427 /nfs/dbraw/zinc/79/84/27/712798427.db2.gz DUCJXMGLBBGNHT-CABCVRRESA-N 1 3 238.419 3.031 20 0 BGADHO CC(C)(C)[C@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000038041073 188354961 /nfs/dbraw/zinc/35/49/61/188354961.db2.gz VCMVRIDNWQWHGU-OAHLLOKOSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)(C)[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000038041073 188354960 /nfs/dbraw/zinc/35/49/60/188354960.db2.gz VCMVRIDNWQWHGU-OAHLLOKOSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)(C)[C@@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000038041074 348038113 /nfs/dbraw/zinc/03/81/13/348038113.db2.gz VCMVRIDNWQWHGU-HNNXBMFYSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)(C)[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000038041074 348038109 /nfs/dbraw/zinc/03/81/09/348038109.db2.gz VCMVRIDNWQWHGU-HNNXBMFYSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)C[C@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000038041128 350303002 /nfs/dbraw/zinc/30/30/02/350303002.db2.gz SSSITXLUBFGMBA-INIZCTEOSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)C[C@@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000038041129 386118466 /nfs/dbraw/zinc/11/84/66/386118466.db2.gz SSSITXLUBFGMBA-MRXNPFEDSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000038041131 348038176 /nfs/dbraw/zinc/03/81/76/348038176.db2.gz LDVITLRPVWFKCD-CYBMUJFWSA-N 1 3 246.398 3.213 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000038041132 348038186 /nfs/dbraw/zinc/03/81/86/348038186.db2.gz LDVITLRPVWFKCD-ZDUSSCGKSA-N 1 3 246.398 3.213 20 0 BGADHO CC(C)C[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041728 357515538 /nfs/dbraw/zinc/51/55/38/357515538.db2.gz VWJGVJPEEQNWOZ-HUUCEWRRSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)C[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041729 357515765 /nfs/dbraw/zinc/51/57/65/357515765.db2.gz VWJGVJPEEQNWOZ-CABCVRRESA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)C[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041730 357515863 /nfs/dbraw/zinc/51/58/63/357515863.db2.gz VWJGVJPEEQNWOZ-LSDHHAIUSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)C[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041731 387179662 /nfs/dbraw/zinc/17/96/62/387179662.db2.gz VWJGVJPEEQNWOZ-GJZGRUSLSA-N 1 3 240.435 3.133 20 0 BGADHO CCC[C@@H](C)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041878 169360006 /nfs/dbraw/zinc/36/00/06/169360006.db2.gz ZLAGGIMPBYLWJH-HUUCEWRRSA-N 1 3 240.435 3.134 20 0 BGADHO CCC[C@H](C)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041879 387180226 /nfs/dbraw/zinc/18/02/26/387180226.db2.gz ZLAGGIMPBYLWJH-LSDHHAIUSA-N 1 3 240.435 3.134 20 0 BGADHO CCC[C@@H](C)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041880 169359905 /nfs/dbraw/zinc/35/99/05/169359905.db2.gz ZLAGGIMPBYLWJH-CABCVRRESA-N 1 3 240.435 3.134 20 0 BGADHO CCC[C@H](C)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041881 387179497 /nfs/dbraw/zinc/17/94/97/387179497.db2.gz ZLAGGIMPBYLWJH-GJZGRUSLSA-N 1 3 240.435 3.134 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041895 171364413 /nfs/dbraw/zinc/36/44/13/171364413.db2.gz DLYRNOPYBNIAKJ-QLFBSQMISA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041897 171388794 /nfs/dbraw/zinc/38/87/94/171388794.db2.gz DLYRNOPYBNIAKJ-ILXRZTDVSA-N 1 3 240.435 3.133 20 0 BGADHO CCCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038042012 357515788 /nfs/dbraw/zinc/51/57/88/357515788.db2.gz HWTVPWTWXNENSO-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038042013 357515825 /nfs/dbraw/zinc/51/58/25/357515825.db2.gz HWTVPWTWXNENSO-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038042014 357515667 /nfs/dbraw/zinc/51/56/67/357515667.db2.gz HWTVPWTWXNENSO-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038042015 168989948 /nfs/dbraw/zinc/98/99/48/168989948.db2.gz HWTVPWTWXNENSO-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)C(C)C ZINC000038042016 323382008 /nfs/dbraw/zinc/38/20/08/323382008.db2.gz MAAXXGMPMIADNI-CABCVRRESA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)C(C)C ZINC000038042017 387179847 /nfs/dbraw/zinc/17/98/47/387179847.db2.gz MAAXXGMPMIADNI-HUUCEWRRSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)C(C)C ZINC000038042018 357515511 /nfs/dbraw/zinc/51/55/11/357515511.db2.gz MAAXXGMPMIADNI-GJZGRUSLSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C(C)C ZINC000038042019 387180097 /nfs/dbraw/zinc/18/00/97/387180097.db2.gz MAAXXGMPMIADNI-LSDHHAIUSA-N 1 3 240.435 3.133 20 0 BGADHO CC[NH+]1CCC(N[C@@H](C)c2cccc(C)c2)CC1 ZINC000038098157 343371072 /nfs/dbraw/zinc/37/10/72/343371072.db2.gz WNCXTJIMWDNLND-AWEZNQCLSA-N 1 3 246.398 3.130 20 0 BGADHO CC[NH+]1CCC(N[C@H](C)c2cccc(C)c2)CC1 ZINC000038098158 343370945 /nfs/dbraw/zinc/37/09/45/343370945.db2.gz WNCXTJIMWDNLND-CQSZACIVSA-N 1 3 246.398 3.130 20 0 BGADHO CC[C@@H](c1ccccc1)N1CCC[C@H](C[NH2+]C)C1 ZINC000040592999 352603978 /nfs/dbraw/zinc/60/39/78/352603978.db2.gz SXTGIQNSURNXED-ZBFHGGJFSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@H](c1ccccc1)N1CCC[C@H](C[NH2+]C)C1 ZINC000040593001 352603490 /nfs/dbraw/zinc/60/34/90/352603490.db2.gz SXTGIQNSURNXED-GDBMZVCRSA-N 1 3 246.398 3.069 20 0 BGADHO CC(C)N1CC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000040620877 358243018 /nfs/dbraw/zinc/24/30/18/358243018.db2.gz MHZAHDHQERTRHD-CQSZACIVSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000040620879 358243334 /nfs/dbraw/zinc/24/33/34/358243334.db2.gz MHZAHDHQERTRHD-AWEZNQCLSA-N 1 3 238.419 3.029 20 0 BGADHO CCCC(CCC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040622004 358243627 /nfs/dbraw/zinc/24/36/27/358243627.db2.gz NZSBROLUNVDFOL-AWEZNQCLSA-N 1 3 240.435 3.275 20 0 BGADHO CCCC(CCC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040622007 358242894 /nfs/dbraw/zinc/24/28/94/358242894.db2.gz NZSBROLUNVDFOL-CQSZACIVSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040622015 358243548 /nfs/dbraw/zinc/24/35/48/358243548.db2.gz OXSSFHPXSKSGDH-CABCVRRESA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040622018 358243153 /nfs/dbraw/zinc/24/31/53/358243153.db2.gz OXSSFHPXSKSGDH-GJZGRUSLSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040622020 358243048 /nfs/dbraw/zinc/24/30/48/358243048.db2.gz OXSSFHPXSKSGDH-HUUCEWRRSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)CC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040622023 358242931 /nfs/dbraw/zinc/24/29/31/358242931.db2.gz OXSSFHPXSKSGDH-LSDHHAIUSA-N 1 3 240.435 3.131 20 0 BGADHO CCCCC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040622329 711483302 /nfs/dbraw/zinc/48/33/02/711483302.db2.gz QYIUONKKRMVYAI-HUUCEWRRSA-N 1 3 240.435 3.275 20 0 BGADHO CCCCC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040622331 711483005 /nfs/dbraw/zinc/48/30/05/711483005.db2.gz QYIUONKKRMVYAI-LSDHHAIUSA-N 1 3 240.435 3.275 20 0 BGADHO C[N@@H+](CCCNCC(C)(C)C)C1CCCCC1 ZINC000041120940 384608053 /nfs/dbraw/zinc/60/80/53/384608053.db2.gz AFDVATOUHCSJCS-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO C[N@H+](CCCNCC(C)(C)C)C1CCCCC1 ZINC000041120940 384608045 /nfs/dbraw/zinc/60/80/45/384608045.db2.gz AFDVATOUHCSJCS-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO CN(CCC[NH2+]CC(C)(C)C)C1CCCCC1 ZINC000041120940 384608032 /nfs/dbraw/zinc/60/80/32/384608032.db2.gz AFDVATOUHCSJCS-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2)cc1 ZINC000043326395 352636319 /nfs/dbraw/zinc/63/63/19/352636319.db2.gz GRYQKQRIVVVTNF-CZUORRHYSA-N 1 3 246.398 3.213 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCNC2)cc1 ZINC000043326396 352636574 /nfs/dbraw/zinc/63/65/74/352636574.db2.gz GRYQKQRIVVVTNF-XJKSGUPXSA-N 1 3 246.398 3.213 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCNC2)cc1 ZINC000043326397 352636614 /nfs/dbraw/zinc/63/66/14/352636614.db2.gz GRYQKQRIVVVTNF-CJNGLKHVSA-N 1 3 246.398 3.213 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCCNC2)cc1 ZINC000043326398 352636505 /nfs/dbraw/zinc/63/65/05/352636505.db2.gz GRYQKQRIVVVTNF-BBRMVZONSA-N 1 3 246.398 3.213 20 0 BGADHO CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000043435691 384646557 /nfs/dbraw/zinc/64/65/57/384646557.db2.gz MJRJDMHOMNZGBO-UHFFFAOYSA-N 1 3 240.435 3.275 20 0 BGADHO C(C[NH2+]CCC1CCCCC1)CN1CCCC1 ZINC000049332512 187270140 /nfs/dbraw/zinc/27/01/40/187270140.db2.gz DQIXLOUJDHBCEA-UHFFFAOYSA-N 1 3 238.419 3.032 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000049332694 358683706 /nfs/dbraw/zinc/68/37/06/358683706.db2.gz XYSLEFXEZNJNNW-CABCVRRESA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000049332695 358683373 /nfs/dbraw/zinc/68/33/73/358683373.db2.gz XYSLEFXEZNJNNW-GJZGRUSLSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000049332698 358683273 /nfs/dbraw/zinc/68/32/73/358683273.db2.gz XYSLEFXEZNJNNW-HUUCEWRRSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000049332701 358683277 /nfs/dbraw/zinc/68/32/77/358683277.db2.gz XYSLEFXEZNJNNW-LSDHHAIUSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000049551996 343601865 /nfs/dbraw/zinc/60/18/65/343601865.db2.gz JRGNKTCQVXDQSY-ZFWWWQNUSA-N 1 3 234.387 3.068 20 0 BGADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000049551997 343602183 /nfs/dbraw/zinc/60/21/83/343602183.db2.gz JRGNKTCQVXDQSY-DZGCQCFKSA-N 1 3 234.387 3.068 20 0 BGADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000049551998 343602028 /nfs/dbraw/zinc/60/20/28/343602028.db2.gz JRGNKTCQVXDQSY-HIFRSBDPSA-N 1 3 234.387 3.068 20 0 BGADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000049551999 343601874 /nfs/dbraw/zinc/60/18/74/343601874.db2.gz JRGNKTCQVXDQSY-UKRRQHHQSA-N 1 3 234.387 3.068 20 0 BGADHO Cc1ccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)c(C)c1 ZINC000049553275 384683759 /nfs/dbraw/zinc/68/37/59/384683759.db2.gz PTEIWGPRIAKXHP-LSDHHAIUSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H](C)CC[NH+](C)C)c(C)c1 ZINC000049553276 384683456 /nfs/dbraw/zinc/68/34/56/384683456.db2.gz PTEIWGPRIAKXHP-GJZGRUSLSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc([C@@H](C)N[C@H](C)CC[NH+](C)C)c(C)c1 ZINC000049553277 384682254 /nfs/dbraw/zinc/68/22/54/384682254.db2.gz PTEIWGPRIAKXHP-HUUCEWRRSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc([C@H](C)N[C@H](C)CC[NH+](C)C)c(C)c1 ZINC000049553278 384682318 /nfs/dbraw/zinc/68/23/18/384682318.db2.gz PTEIWGPRIAKXHP-CABCVRRESA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc(C)c([C@@H](C)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049553287 384682063 /nfs/dbraw/zinc/68/20/63/384682063.db2.gz GFCLIRRXKXSXAA-LSDHHAIUSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc(C)c([C@H](C)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049553288 343018016 /nfs/dbraw/zinc/01/80/16/343018016.db2.gz GFCLIRRXKXSXAA-GJZGRUSLSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc(C)c([C@@H](C)N[C@H](C)CC[NH+](C)C)c1 ZINC000049553289 384683982 /nfs/dbraw/zinc/68/39/82/384683982.db2.gz GFCLIRRXKXSXAA-HUUCEWRRSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc(C)c([C@H](C)N[C@H](C)CC[NH+](C)C)c1 ZINC000049553290 343018106 /nfs/dbraw/zinc/01/81/06/343018106.db2.gz GFCLIRRXKXSXAA-CABCVRRESA-N 1 3 248.414 3.294 20 0 BGADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000049553313 358694046 /nfs/dbraw/zinc/69/40/46/358694046.db2.gz KUGWGWNINJOJQG-HOCLYGCPSA-N 1 3 248.414 3.376 20 0 BGADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000049553314 358694260 /nfs/dbraw/zinc/69/42/60/358694260.db2.gz KUGWGWNINJOJQG-GOEBONIOSA-N 1 3 248.414 3.376 20 0 BGADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000049553315 358694366 /nfs/dbraw/zinc/69/43/66/358694366.db2.gz KUGWGWNINJOJQG-ZBFHGGJFSA-N 1 3 248.414 3.376 20 0 BGADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000049553316 358694408 /nfs/dbraw/zinc/69/44/08/358694408.db2.gz KUGWGWNINJOJQG-GDBMZVCRSA-N 1 3 248.414 3.376 20 0 BGADHO Cc1ccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc1C ZINC000049553459 384683936 /nfs/dbraw/zinc/68/39/36/384683936.db2.gz OVDOMQNLJWJIKT-LSDHHAIUSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H](C)CC[NH+](C)C)cc1C ZINC000049553460 384684072 /nfs/dbraw/zinc/68/40/72/384684072.db2.gz OVDOMQNLJWJIKT-GJZGRUSLSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc([C@@H](C)N[C@H](C)CC[NH+](C)C)cc1C ZINC000049553461 178850161 /nfs/dbraw/zinc/85/01/61/178850161.db2.gz OVDOMQNLJWJIKT-HUUCEWRRSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1ccc([C@H](C)N[C@H](C)CC[NH+](C)C)cc1C ZINC000049553462 384683480 /nfs/dbraw/zinc/68/34/80/384683480.db2.gz OVDOMQNLJWJIKT-CABCVRRESA-N 1 3 248.414 3.294 20 0 BGADHO CCc1ccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049553471 384684024 /nfs/dbraw/zinc/68/40/24/384684024.db2.gz AYUJXTQYXIPJRV-UONOGXRCSA-N 1 3 248.414 3.240 20 0 BGADHO CCc1ccc([C@H](C)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049553472 384682601 /nfs/dbraw/zinc/68/26/01/384682601.db2.gz AYUJXTQYXIPJRV-KBPBESRZSA-N 1 3 248.414 3.240 20 0 BGADHO CCc1ccc([C@@H](C)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049553473 384682622 /nfs/dbraw/zinc/68/26/22/384682622.db2.gz AYUJXTQYXIPJRV-ZIAGYGMSSA-N 1 3 248.414 3.240 20 0 BGADHO CCc1ccc([C@H](C)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049553474 384684211 /nfs/dbraw/zinc/68/42/11/384684211.db2.gz AYUJXTQYXIPJRV-KGLIPLIRSA-N 1 3 248.414 3.240 20 0 BGADHO CCC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000049553517 358694652 /nfs/dbraw/zinc/69/46/52/358694652.db2.gz OCDPZTIHMHRHER-HOCLYGCPSA-N 1 3 248.414 3.458 20 0 BGADHO CCC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000049553518 387785947 /nfs/dbraw/zinc/78/59/47/387785947.db2.gz OCDPZTIHMHRHER-GOEBONIOSA-N 1 3 248.414 3.458 20 0 BGADHO CCC[C@H](N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000049553519 358694290 /nfs/dbraw/zinc/69/42/90/358694290.db2.gz OCDPZTIHMHRHER-ZBFHGGJFSA-N 1 3 248.414 3.458 20 0 BGADHO CCC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000049553520 387786187 /nfs/dbraw/zinc/78/61/87/387786187.db2.gz OCDPZTIHMHRHER-GDBMZVCRSA-N 1 3 248.414 3.458 20 0 BGADHO Cc1cc(C)c(CN[C@@H](C)CC[NH+](C)C)cc1C ZINC000049554204 387786019 /nfs/dbraw/zinc/78/60/19/387786019.db2.gz CJPFAFNJEUFPND-HNNXBMFYSA-N 1 3 248.414 3.042 20 0 BGADHO Cc1cc(C)c(CN[C@H](C)CC[NH+](C)C)cc1C ZINC000049554205 387784606 /nfs/dbraw/zinc/78/46/06/387784606.db2.gz CJPFAFNJEUFPND-OAHLLOKOSA-N 1 3 248.414 3.042 20 0 BGADHO CCCN(CCC)CCC[NH2+]C1CCCCC1 ZINC000053498892 322853921 /nfs/dbraw/zinc/85/39/21/322853921.db2.gz OWJWCJXBTWNGBD-UHFFFAOYSA-N 1 3 240.435 3.421 20 0 BGADHO CCCN(CCC)CCC[NH2+]C1CCCC1 ZINC000053498894 169147541 /nfs/dbraw/zinc/14/75/41/169147541.db2.gz KKRYHFVEUKDNQE-UHFFFAOYSA-N 1 3 226.408 3.031 20 0 BGADHO CC(C)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000053648838 167113381 /nfs/dbraw/zinc/11/33/81/167113381.db2.gz ZDLNFDSXWTVJED-HNNXBMFYSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000053648838 167113379 /nfs/dbraw/zinc/11/33/79/167113379.db2.gz ZDLNFDSXWTVJED-HNNXBMFYSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000053648840 167115280 /nfs/dbraw/zinc/11/52/80/167115280.db2.gz ZDLNFDSXWTVJED-OAHLLOKOSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000053648840 167115277 /nfs/dbraw/zinc/11/52/77/167115277.db2.gz ZDLNFDSXWTVJED-OAHLLOKOSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H](C[NH2+]C1CCCCCC1)CN1CCCC1 ZINC000057994363 640658935 /nfs/dbraw/zinc/65/89/35/640658935.db2.gz FGXCVSZQXLCHCN-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@H](C[NH2+]C1CCCCCC1)CN1CCCC1 ZINC000057994365 640657849 /nfs/dbraw/zinc/65/78/49/640657849.db2.gz FGXCVSZQXLCHCN-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CC1CCN(CCC[NH2+]CCC(C)(C)C)CC1 ZINC000059382976 168178834 /nfs/dbraw/zinc/17/88/34/168178834.db2.gz CAGAUDPLLQLHKJ-UHFFFAOYSA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)(C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000061839576 322859087 /nfs/dbraw/zinc/85/90/87/322859087.db2.gz QNMBNUIKEZFGIC-UHFFFAOYSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H](C[NH2+]CCC(C)(C)C)CN1CCCCC1 ZINC000061839587 134802722 /nfs/dbraw/zinc/80/27/22/134802722.db2.gz OUAJIVDLCFRNEB-AWEZNQCLSA-N 1 3 240.435 3.134 20 0 BGADHO C[C@H](C[NH2+]CCC(C)(C)C)CN1CCCCC1 ZINC000061839588 387847334 /nfs/dbraw/zinc/84/73/34/387847334.db2.gz OUAJIVDLCFRNEB-CQSZACIVSA-N 1 3 240.435 3.134 20 0 BGADHO CCCCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077245 641018724 /nfs/dbraw/zinc/01/87/24/641018724.db2.gz MUSCBXJAJBHKSQ-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCCCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077246 641018437 /nfs/dbraw/zinc/01/84/37/641018437.db2.gz MUSCBXJAJBHKSQ-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCCCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077249 641018146 /nfs/dbraw/zinc/01/81/46/641018146.db2.gz MUSCBXJAJBHKSQ-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CCCCC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077251 641018566 /nfs/dbraw/zinc/01/85/66/641018566.db2.gz MUSCBXJAJBHKSQ-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)CN1CCCC1 ZINC000062077397 385155221 /nfs/dbraw/zinc/15/52/21/385155221.db2.gz GFSSIKKEPHNCFQ-GJZGRUSLSA-N 1 3 246.398 3.069 20 0 BGADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1)CN1CCCC1 ZINC000062077399 385153937 /nfs/dbraw/zinc/15/39/37/385153937.db2.gz GFSSIKKEPHNCFQ-CABCVRRESA-N 1 3 246.398 3.069 20 0 BGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccccc1 ZINC000062077400 385155659 /nfs/dbraw/zinc/15/56/59/385155659.db2.gz GFSSIKKEPHNCFQ-LSDHHAIUSA-N 1 3 246.398 3.069 20 0 BGADHO C[C@H](C[NH2+][C@H](C)c1ccccc1)CN1CCCC1 ZINC000062077402 385154961 /nfs/dbraw/zinc/15/49/61/385154961.db2.gz GFSSIKKEPHNCFQ-HUUCEWRRSA-N 1 3 246.398 3.069 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077638 322859809 /nfs/dbraw/zinc/85/98/09/322859809.db2.gz WHMRJAMDCFYKJP-HUUCEWRRSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077641 384758185 /nfs/dbraw/zinc/75/81/85/384758185.db2.gz WHMRJAMDCFYKJP-CABCVRRESA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077644 517415590 /nfs/dbraw/zinc/41/55/90/517415590.db2.gz WHMRJAMDCFYKJP-LSDHHAIUSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077646 322859813 /nfs/dbraw/zinc/85/98/13/322859813.db2.gz WHMRJAMDCFYKJP-GJZGRUSLSA-N 1 3 240.435 3.133 20 0 BGADHO CCCC(CCC)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062078102 322942466 /nfs/dbraw/zinc/94/24/66/322942466.db2.gz NRCSITANQFUNJL-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC(CCC)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062078105 322859941 /nfs/dbraw/zinc/85/99/41/322859941.db2.gz NRCSITANQFUNJL-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO C[N@@H+](C[C@@]1(C)CCCNC1)C1CCCCCC1 ZINC000062862125 641101761 /nfs/dbraw/zinc/10/17/61/641101761.db2.gz SQXAQVACTPLUHK-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@H+](C[C@@]1(C)CCCNC1)C1CCCCCC1 ZINC000062862125 641101756 /nfs/dbraw/zinc/10/17/56/641101756.db2.gz SQXAQVACTPLUHK-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@@H+](C[C@]1(C)CCCNC1)C1CCCCCC1 ZINC000062862126 641101279 /nfs/dbraw/zinc/10/12/79/641101279.db2.gz SQXAQVACTPLUHK-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@H+](C[C@]1(C)CCCNC1)C1CCCCCC1 ZINC000062862126 641101277 /nfs/dbraw/zinc/10/12/77/641101277.db2.gz SQXAQVACTPLUHK-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)N)c(C)c1 ZINC000063191444 386554146 /nfs/dbraw/zinc/55/41/46/386554146.db2.gz JXDGKFSAIPAFSE-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)N)c(C)c1 ZINC000063191444 386554139 /nfs/dbraw/zinc/55/41/39/386554139.db2.gz JXDGKFSAIPAFSE-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)N)c(C)c1 ZINC000063191445 386552049 /nfs/dbraw/zinc/55/20/49/386552049.db2.gz JXDGKFSAIPAFSE-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)N)c(C)c1 ZINC000063191445 386552045 /nfs/dbraw/zinc/55/20/45/386552045.db2.gz JXDGKFSAIPAFSE-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)N)cc1C ZINC000063191935 386553382 /nfs/dbraw/zinc/55/33/82/386553382.db2.gz CMFQQDBYOPGHKO-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)N)cc1C ZINC000063191935 386553380 /nfs/dbraw/zinc/55/33/80/386553380.db2.gz CMFQQDBYOPGHKO-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)N)cc1C ZINC000063191936 386554011 /nfs/dbraw/zinc/55/40/11/386554011.db2.gz CMFQQDBYOPGHKO-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)N)cc1C ZINC000063191936 386554007 /nfs/dbraw/zinc/55/40/07/386554007.db2.gz CMFQQDBYOPGHKO-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)N)c1C ZINC000063192171 179073464 /nfs/dbraw/zinc/07/34/64/179073464.db2.gz RESMGTDVDVETIO-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)N)c1C ZINC000063192171 179073462 /nfs/dbraw/zinc/07/34/62/179073462.db2.gz RESMGTDVDVETIO-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)N)c1C ZINC000063192172 179073679 /nfs/dbraw/zinc/07/36/79/179073679.db2.gz RESMGTDVDVETIO-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)N)c1C ZINC000063192172 179073676 /nfs/dbraw/zinc/07/36/76/179073676.db2.gz RESMGTDVDVETIO-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)N)c1 ZINC000063192185 641142397 /nfs/dbraw/zinc/14/23/97/641142397.db2.gz GXJSDHZQSQQIBG-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)N)c1 ZINC000063192185 641142392 /nfs/dbraw/zinc/14/23/92/641142392.db2.gz GXJSDHZQSQQIBG-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000063192186 641142939 /nfs/dbraw/zinc/14/29/39/641142939.db2.gz GXJSDHZQSQQIBG-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000063192186 641142935 /nfs/dbraw/zinc/14/29/35/641142935.db2.gz GXJSDHZQSQQIBG-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)N)c1 ZINC000063192215 386553814 /nfs/dbraw/zinc/55/38/14/386553814.db2.gz YUOPWNIYKMXDRN-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)N)c1 ZINC000063192215 386553810 /nfs/dbraw/zinc/55/38/10/386553810.db2.gz YUOPWNIYKMXDRN-GDBMZVCRSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000063192216 386553987 /nfs/dbraw/zinc/55/39/87/386553987.db2.gz YUOPWNIYKMXDRN-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000063192216 386553981 /nfs/dbraw/zinc/55/39/81/386553981.db2.gz YUOPWNIYKMXDRN-ZBFHGGJFSA-N 1 3 246.398 3.005 20 0 BGADHO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000069378240 349946528 /nfs/dbraw/zinc/94/65/28/349946528.db2.gz WPNNVBCDJLQRLK-LSDHHAIUSA-N 1 3 240.435 3.275 20 0 BGADHO CCCC[C@H](CC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000069378244 349946562 /nfs/dbraw/zinc/94/65/62/349946562.db2.gz WPNNVBCDJLQRLK-GJZGRUSLSA-N 1 3 240.435 3.275 20 0 BGADHO CCCC[C@@H](CC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000069378249 349946553 /nfs/dbraw/zinc/94/65/53/349946553.db2.gz WPNNVBCDJLQRLK-HUUCEWRRSA-N 1 3 240.435 3.275 20 0 BGADHO CCCC[C@H](CC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000069378254 349946360 /nfs/dbraw/zinc/94/63/60/349946360.db2.gz WPNNVBCDJLQRLK-CABCVRRESA-N 1 3 240.435 3.275 20 0 BGADHO CCCC[C@@H](CC)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000069379108 324943345 /nfs/dbraw/zinc/94/33/45/324943345.db2.gz VWABBOJERBUDRS-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@H](CC)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000069379112 388836902 /nfs/dbraw/zinc/83/69/02/388836902.db2.gz VWABBOJERBUDRS-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@@H](CC)[NH2+]C[C@H](C)CN1CCCC1 ZINC000069379114 388836122 /nfs/dbraw/zinc/83/61/22/388836122.db2.gz VWABBOJERBUDRS-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@H](CC)[NH2+]C[C@H](C)CN1CCCC1 ZINC000069379118 388836588 /nfs/dbraw/zinc/83/65/88/388836588.db2.gz VWABBOJERBUDRS-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO Cc1cccc(CN2CCCC[C@@H]2CC[NH3+])c1C ZINC000070148593 179073375 /nfs/dbraw/zinc/07/33/75/179073375.db2.gz UHAFTUUGOIKSQQ-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C[N@H+]2CCCC[C@@H]2CCN)c1C ZINC000070148593 179073373 /nfs/dbraw/zinc/07/33/73/179073373.db2.gz UHAFTUUGOIKSQQ-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCN)c1C ZINC000070148593 179073371 /nfs/dbraw/zinc/07/33/71/179073371.db2.gz UHAFTUUGOIKSQQ-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(CN2CCCC[C@H]2CC[NH3+])c1C ZINC000070148594 179074860 /nfs/dbraw/zinc/07/48/60/179074860.db2.gz UHAFTUUGOIKSQQ-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C[N@H+]2CCCC[C@H]2CCN)c1C ZINC000070148594 179074857 /nfs/dbraw/zinc/07/48/57/179074857.db2.gz UHAFTUUGOIKSQQ-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C[N@@H+]2CCCC[C@H]2CCN)c1C ZINC000070148594 179074854 /nfs/dbraw/zinc/07/48/54/179074854.db2.gz UHAFTUUGOIKSQQ-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@@H]2CCN)c(C)c1 ZINC000070148623 398220852 /nfs/dbraw/zinc/22/08/52/398220852.db2.gz WRGCGDXPHNSXNS-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCN)c(C)c1 ZINC000070148623 398220851 /nfs/dbraw/zinc/22/08/51/398220851.db2.gz WRGCGDXPHNSXNS-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(CN2CCCC[C@@H]2CC[NH3+])c(C)c1 ZINC000070148623 398220850 /nfs/dbraw/zinc/22/08/50/398220850.db2.gz WRGCGDXPHNSXNS-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@H]2CCN)c(C)c1 ZINC000070148624 398220862 /nfs/dbraw/zinc/22/08/62/398220862.db2.gz WRGCGDXPHNSXNS-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCN)c(C)c1 ZINC000070148624 398220861 /nfs/dbraw/zinc/22/08/61/398220861.db2.gz WRGCGDXPHNSXNS-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(CN2CCCC[C@H]2CC[NH3+])c(C)c1 ZINC000070148624 398220860 /nfs/dbraw/zinc/22/08/60/398220860.db2.gz WRGCGDXPHNSXNS-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc([C@H](C)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171992 368760631 /nfs/dbraw/zinc/76/06/31/368760631.db2.gz MCOGVTWWJAAHJT-YCPHGPKFSA-N 1 3 246.398 3.115 20 0 BGADHO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](N)C[C@@H]2C)C1 ZINC000070539483 350018660 /nfs/dbraw/zinc/01/86/60/350018660.db2.gz NBTCPFHYXOQTDI-BARDWOONSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H](N)C[C@@H]2C)C1 ZINC000070539483 350018658 /nfs/dbraw/zinc/01/86/58/350018658.db2.gz NBTCPFHYXOQTDI-BARDWOONSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CCN2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000070539483 350018655 /nfs/dbraw/zinc/01/86/55/350018655.db2.gz NBTCPFHYXOQTDI-BARDWOONSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN(CC)CC ZINC000070977618 325047718 /nfs/dbraw/zinc/04/77/18/325047718.db2.gz OXVIZQXUSUKMPB-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H]1CCCC[C@@H]1[NH2+]CCCN(CC)CC ZINC000070977620 325048106 /nfs/dbraw/zinc/04/81/06/325048106.db2.gz OXVIZQXUSUKMPB-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@@H]1CCCC[C@H]1[NH2+]CCCN(CC)CC ZINC000070977621 325048255 /nfs/dbraw/zinc/04/82/55/325048255.db2.gz OXVIZQXUSUKMPB-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H]1CCCC[C@H]1[NH2+]CCCN(CC)CC ZINC000070977622 325047853 /nfs/dbraw/zinc/04/78/53/325047853.db2.gz OXVIZQXUSUKMPB-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@@H]1CCC[C@H]([NH2+]CCCN(CC)CC)C1 ZINC000071105736 343961133 /nfs/dbraw/zinc/96/11/33/343961133.db2.gz DQACTWJGHTVPKQ-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H]1CCC[C@H]([NH2+]CCCN(CC)CC)C1 ZINC000071105738 325055348 /nfs/dbraw/zinc/05/53/48/325055348.db2.gz DQACTWJGHTVPKQ-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@@H]1CCC[C@@H]([NH2+]CCCN(CC)CC)C1 ZINC000071105741 325055383 /nfs/dbraw/zinc/05/53/83/325055383.db2.gz DQACTWJGHTVPKQ-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H]1CCC[C@@H]([NH2+]CCCN(CC)CC)C1 ZINC000071105745 325055295 /nfs/dbraw/zinc/05/52/95/325055295.db2.gz DQACTWJGHTVPKQ-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000071106660 359071008 /nfs/dbraw/zinc/07/10/08/359071008.db2.gz PVWRJAPEHKTTQI-CABCVRRESA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000071106664 359070978 /nfs/dbraw/zinc/07/09/78/359070978.db2.gz PVWRJAPEHKTTQI-GJZGRUSLSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000071106667 359070889 /nfs/dbraw/zinc/07/08/89/359070889.db2.gz PVWRJAPEHKTTQI-HUUCEWRRSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000071106671 359071287 /nfs/dbraw/zinc/07/12/87/359071287.db2.gz PVWRJAPEHKTTQI-LSDHHAIUSA-N 1 3 238.419 3.031 20 0 BGADHO CCN(CC)CCC[NH2+]C1CCC(C)(C)CC1 ZINC000075175803 384781318 /nfs/dbraw/zinc/78/13/18/384781318.db2.gz KKTBHNQBAOMZPV-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000076453466 169208545 /nfs/dbraw/zinc/20/85/45/169208545.db2.gz LLMVVESOSBKROC-LSDHHAIUSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccccc2)C1 ZINC000076453466 169208543 /nfs/dbraw/zinc/20/85/43/169208543.db2.gz LLMVVESOSBKROC-LSDHHAIUSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccccc2)C1 ZINC000076453466 169208541 /nfs/dbraw/zinc/20/85/41/169208541.db2.gz LLMVVESOSBKROC-LSDHHAIUSA-N 1 3 246.398 3.069 20 0 BGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000076453469 169206881 /nfs/dbraw/zinc/20/68/81/169206881.db2.gz LLMVVESOSBKROC-GJZGRUSLSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2)C1 ZINC000076453469 169206879 /nfs/dbraw/zinc/20/68/79/169206879.db2.gz LLMVVESOSBKROC-GJZGRUSLSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2)C1 ZINC000076453469 169206877 /nfs/dbraw/zinc/20/68/77/169206877.db2.gz LLMVVESOSBKROC-GJZGRUSLSA-N 1 3 246.398 3.069 20 0 BGADHO CCCN1CC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000076453780 169207088 /nfs/dbraw/zinc/20/70/88/169207088.db2.gz BBNVKAKONAARHF-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CCCN1CC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000076453785 169206271 /nfs/dbraw/zinc/20/62/71/169206271.db2.gz BBNVKAKONAARHF-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079971059 135398288 /nfs/dbraw/zinc/39/82/88/135398288.db2.gz DZWPMDVDXDLHAY-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079971064 135398085 /nfs/dbraw/zinc/39/80/85/135398085.db2.gz DZWPMDVDXDLHAY-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CC1(C)CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000079987608 135397980 /nfs/dbraw/zinc/39/79/80/135397980.db2.gz RSKSNEVYCIVWJM-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO CC1(C)CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000079987610 135398101 /nfs/dbraw/zinc/39/81/01/135398101.db2.gz RSKSNEVYCIVWJM-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000080426597 387990311 /nfs/dbraw/zinc/99/03/11/387990311.db2.gz DYRNDARCHZXUAJ-ILXRZTDVSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000080426603 387989372 /nfs/dbraw/zinc/98/93/72/387989372.db2.gz DYRNDARCHZXUAJ-QLFBSQMISA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000080428131 387992291 /nfs/dbraw/zinc/99/22/91/387992291.db2.gz YCWMIIWYQYPSSH-NEPJUHHUSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000080428135 387991516 /nfs/dbraw/zinc/99/15/16/387991516.db2.gz YCWMIIWYQYPSSH-RYUDHWBXSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000080428139 387992568 /nfs/dbraw/zinc/99/25/68/387992568.db2.gz YCWMIIWYQYPSSH-VXGBXAGGSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000080428142 387992967 /nfs/dbraw/zinc/99/29/67/387992967.db2.gz YCWMIIWYQYPSSH-NWDGAFQWSA-N 1 3 238.419 3.074 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216086 643650175 /nfs/dbraw/zinc/65/01/75/643650175.db2.gz HVWBXRZYZOCSOS-BFHYXJOUSA-N 1 3 226.408 3.062 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216089 643652033 /nfs/dbraw/zinc/65/20/33/643652033.db2.gz HVWBXRZYZOCSOS-MJBXVCDLSA-N 1 3 226.408 3.062 20 0 BGADHO CCN(CC)CCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000084462390 388077788 /nfs/dbraw/zinc/07/77/88/388077788.db2.gz SPQQVUOETUAGEH-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000084462394 388078157 /nfs/dbraw/zinc/07/81/57/388078157.db2.gz SPQQVUOETUAGEH-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000084981846 388082405 /nfs/dbraw/zinc/08/24/05/388082405.db2.gz LZEMETGIUQKIDI-RRFJBIMHSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000084981850 388081874 /nfs/dbraw/zinc/08/18/74/388081874.db2.gz LZEMETGIUQKIDI-RBSFLKMASA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000085085118 384915112 /nfs/dbraw/zinc/91/51/12/384915112.db2.gz GMYSSCVKVRURDC-SOUVJXGZSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000085085121 384915685 /nfs/dbraw/zinc/91/56/85/384915685.db2.gz GMYSSCVKVRURDC-QLFBSQMISA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000085085126 134222088 /nfs/dbraw/zinc/22/20/88/134222088.db2.gz UZQHOICUDPZICN-SOUVJXGZSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000085085129 134221707 /nfs/dbraw/zinc/22/17/07/134221707.db2.gz UZQHOICUDPZICN-QLFBSQMISA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC1 ZINC000086115676 357853614 /nfs/dbraw/zinc/85/36/14/357853614.db2.gz BWPOIKPSWRKOCK-ZFWWWQNUSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC1 ZINC000086115679 357853593 /nfs/dbraw/zinc/85/35/93/357853593.db2.gz BWPOIKPSWRKOCK-DZGCQCFKSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CC1 ZINC000086116114 387516814 /nfs/dbraw/zinc/51/68/14/387516814.db2.gz BTKGGJVJODPFPN-ZDUSSCGKSA-N 1 3 238.419 3.074 20 0 BGADHO CC[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CC1 ZINC000086116116 387516029 /nfs/dbraw/zinc/51/60/29/387516029.db2.gz BTKGGJVJODPFPN-CYBMUJFWSA-N 1 3 238.419 3.074 20 0 BGADHO CCCC[C@H](CC)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086402279 368879894 /nfs/dbraw/zinc/87/98/94/368879894.db2.gz GIWQHBNBRLLTKX-MELADBBJSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@H](CC)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086402282 368880279 /nfs/dbraw/zinc/88/02/79/368880279.db2.gz GIWQHBNBRLLTKX-IHRRRGAJSA-N 1 3 226.408 3.062 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086402349 135083531 /nfs/dbraw/zinc/08/35/31/135083531.db2.gz YUXWIEWZGXFRRO-MELADBBJSA-N 1 3 226.408 3.061 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086402354 388101664 /nfs/dbraw/zinc/10/16/64/388101664.db2.gz YUXWIEWZGXFRRO-IHRRRGAJSA-N 1 3 226.408 3.061 20 0 BGADHO CCC(CC)[NH2+][C@@H](C)C[C@@H]1CCCCCN1 ZINC000086500503 385023978 /nfs/dbraw/zinc/02/39/78/385023978.db2.gz LCYFKJXTMHZOMF-JSGCOSHPSA-N 1 3 226.408 3.075 20 0 BGADHO CCC(CC)[NH2+][C@H](C)C[C@@H]1CCCCCN1 ZINC000086500504 385025088 /nfs/dbraw/zinc/02/50/88/385025088.db2.gz LCYFKJXTMHZOMF-OCCSQVGLSA-N 1 3 226.408 3.075 20 0 BGADHO CCC(CC)[NH2+][C@@H](C)C[C@H]1CCCCCN1 ZINC000086500505 385023577 /nfs/dbraw/zinc/02/35/77/385023577.db2.gz LCYFKJXTMHZOMF-GXTWGEPZSA-N 1 3 226.408 3.075 20 0 BGADHO CCC(CC)[NH2+][C@H](C)C[C@H]1CCCCCN1 ZINC000086500506 256569771 /nfs/dbraw/zinc/56/97/71/256569771.db2.gz LCYFKJXTMHZOMF-TZMCWYRMSA-N 1 3 226.408 3.075 20 0 BGADHO C[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000086670189 388105338 /nfs/dbraw/zinc/10/53/38/388105338.db2.gz HXGDQNPBNYNXNB-ILXRZTDVSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000086670193 388105643 /nfs/dbraw/zinc/10/56/43/388105643.db2.gz HXGDQNPBNYNXNB-QLFBSQMISA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000086671543 388403505 /nfs/dbraw/zinc/40/35/05/388403505.db2.gz BMISEDMZFHCMRB-YPMHNXCESA-N 1 3 238.419 3.074 20 0 BGADHO C[C@H]1CCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000086671545 388403840 /nfs/dbraw/zinc/40/38/40/388403840.db2.gz BMISEDMZFHCMRB-AAEUAGOBSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@@H]1CCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000086671546 388403639 /nfs/dbraw/zinc/40/36/39/388403639.db2.gz BMISEDMZFHCMRB-DGCLKSJQSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@H]1CCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000086671548 385037963 /nfs/dbraw/zinc/03/79/63/385037963.db2.gz BMISEDMZFHCMRB-WCQYABFASA-N 1 3 238.419 3.074 20 0 BGADHO CC(C)CN[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000087911605 641150472 /nfs/dbraw/zinc/15/04/72/641150472.db2.gz MRHVXPULPQPMJI-INIZCTEOSA-N 1 3 242.366 3.085 20 0 BGADHO CC(C)CN[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000087911606 641149934 /nfs/dbraw/zinc/14/99/34/641149934.db2.gz MRHVXPULPQPMJI-MRXNPFEDSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000088512356 491103904 /nfs/dbraw/zinc/10/39/04/491103904.db2.gz OYBVNXIGNIGXKH-CABCVRRESA-N 1 3 238.419 3.031 20 0 BGADHO C[C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000088512357 491103969 /nfs/dbraw/zinc/10/39/69/491103969.db2.gz OYBVNXIGNIGXKH-GJZGRUSLSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000088512358 491104003 /nfs/dbraw/zinc/10/40/03/491104003.db2.gz OYBVNXIGNIGXKH-HUUCEWRRSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@H]1CCCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000088512359 491103937 /nfs/dbraw/zinc/10/39/37/491103937.db2.gz OYBVNXIGNIGXKH-LSDHHAIUSA-N 1 3 238.419 3.031 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089140312 359992478 /nfs/dbraw/zinc/99/24/78/359992478.db2.gz DGYXKTPXZISQSA-RRFJBIMHSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089140317 359993137 /nfs/dbraw/zinc/99/31/37/359993137.db2.gz DGYXKTPXZISQSA-ZNMIVQPWSA-N 1 3 240.435 3.308 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089144256 644536468 /nfs/dbraw/zinc/53/64/68/644536468.db2.gz BTEWUPRRAJBFON-RRFJBIMHSA-N 1 3 240.435 3.452 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089144260 644536860 /nfs/dbraw/zinc/53/68/60/644536860.db2.gz BTEWUPRRAJBFON-ZNMIVQPWSA-N 1 3 240.435 3.452 20 0 BGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000089144660 632658357 /nfs/dbraw/zinc/65/83/57/632658357.db2.gz NGZOAUPKBCXDLJ-HUUCEWRRSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000089144662 644536756 /nfs/dbraw/zinc/53/67/56/644536756.db2.gz NGZOAUPKBCXDLJ-CABCVRRESA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000089144664 644535976 /nfs/dbraw/zinc/53/59/76/644535976.db2.gz NGZOAUPKBCXDLJ-LSDHHAIUSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000089144667 644535555 /nfs/dbraw/zinc/53/55/55/644535555.db2.gz NGZOAUPKBCXDLJ-GJZGRUSLSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000089145658 359992493 /nfs/dbraw/zinc/99/24/93/359992493.db2.gz ZAGAAIWDGSPSIB-HXSCFSKGSA-N 1 3 238.419 3.062 20 0 BGADHO CCC1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000089145661 359992515 /nfs/dbraw/zinc/99/25/15/359992515.db2.gz ZAGAAIWDGSPSIB-JYVUQVBGSA-N 1 3 238.419 3.062 20 0 BGADHO CCC1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000089145663 359993092 /nfs/dbraw/zinc/99/30/92/359993092.db2.gz ZAGAAIWDGSPSIB-OOJKYFRXSA-N 1 3 238.419 3.062 20 0 BGADHO CCC1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000089145665 359993160 /nfs/dbraw/zinc/99/31/60/359993160.db2.gz ZAGAAIWDGSPSIB-SHWKFHJASA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089146016 359992942 /nfs/dbraw/zinc/99/29/42/359992942.db2.gz UVVNWWBVYSYRFH-OWCLPIDISA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000089146016 359992939 /nfs/dbraw/zinc/99/29/39/359992939.db2.gz UVVNWWBVYSYRFH-OWCLPIDISA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089146020 359992593 /nfs/dbraw/zinc/99/25/93/359992593.db2.gz UVVNWWBVYSYRFH-PMPSAXMXSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000089146020 359992587 /nfs/dbraw/zinc/99/25/87/359992587.db2.gz UVVNWWBVYSYRFH-PMPSAXMXSA-N 1 3 246.398 3.245 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CCCCC1 ZINC000089146092 644535856 /nfs/dbraw/zinc/53/58/56/644535856.db2.gz BCHCNUQTGMBAKF-NWANDNLSSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CCCCC1 ZINC000089146094 644536685 /nfs/dbraw/zinc/53/66/85/644536685.db2.gz BCHCNUQTGMBAKF-CFVMTHIKSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000089146529 359993197 /nfs/dbraw/zinc/99/31/97/359993197.db2.gz RUKHHRLQDSGJDZ-TZMCWYRMSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000089146531 359992855 /nfs/dbraw/zinc/99/28/55/359992855.db2.gz RUKHHRLQDSGJDZ-OCCSQVGLSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000089146535 359993104 /nfs/dbraw/zinc/99/31/04/359993104.db2.gz RUKHHRLQDSGJDZ-GXTWGEPZSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000089146538 359993001 /nfs/dbraw/zinc/99/30/01/359993001.db2.gz RUKHHRLQDSGJDZ-JSGCOSHPSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000089146624 359992728 /nfs/dbraw/zinc/99/27/28/359992728.db2.gz GWZVXVSFPCPKMF-APIJFGDWSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089150455 359994393 /nfs/dbraw/zinc/99/43/93/359994393.db2.gz SUJAXOKGRRNFEL-HZPDHXFCSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089150456 359993859 /nfs/dbraw/zinc/99/38/59/359993859.db2.gz SUJAXOKGRRNFEL-CVEARBPZSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089150457 359994172 /nfs/dbraw/zinc/99/41/72/359994172.db2.gz SUJAXOKGRRNFEL-JKSUJKDBSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089150458 359994386 /nfs/dbraw/zinc/99/43/86/359994386.db2.gz SUJAXOKGRRNFEL-HOTGVXAUSA-N 1 3 246.398 3.027 20 0 BGADHO C(C[NH2+]CC1CCCCCC1)CN1CCCC1 ZINC000089557091 360025638 /nfs/dbraw/zinc/02/56/38/360025638.db2.gz NPNGJGNICGEXTD-UHFFFAOYSA-N 1 3 238.419 3.032 20 0 BGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562623 360026113 /nfs/dbraw/zinc/02/61/13/360026113.db2.gz WQPACEGCJLJTLT-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000089562623 360026105 /nfs/dbraw/zinc/02/61/05/360026105.db2.gz WQPACEGCJLJTLT-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562625 360026144 /nfs/dbraw/zinc/02/61/44/360026144.db2.gz WQPACEGCJLJTLT-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000089562625 360026138 /nfs/dbraw/zinc/02/61/38/360026138.db2.gz WQPACEGCJLJTLT-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562627 360026437 /nfs/dbraw/zinc/02/64/37/360026437.db2.gz WQPACEGCJLJTLT-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000089562627 360026434 /nfs/dbraw/zinc/02/64/34/360026434.db2.gz WQPACEGCJLJTLT-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000089562630 360026531 /nfs/dbraw/zinc/02/65/31/360026531.db2.gz WQPACEGCJLJTLT-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000089562630 360026526 /nfs/dbraw/zinc/02/65/26/360026526.db2.gz WQPACEGCJLJTLT-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO CCN(CC)CCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000089604337 135537721 /nfs/dbraw/zinc/53/77/21/135537721.db2.gz FFDKCWCTUDDJLM-LSDHHAIUSA-N 1 3 240.435 3.134 20 0 BGADHO CCN(CC)CCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000089604339 360030265 /nfs/dbraw/zinc/03/02/65/360030265.db2.gz FFDKCWCTUDDJLM-GJZGRUSLSA-N 1 3 240.435 3.134 20 0 BGADHO CCN(CC)CCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000089604340 135537168 /nfs/dbraw/zinc/53/71/68/135537168.db2.gz FFDKCWCTUDDJLM-HUUCEWRRSA-N 1 3 240.435 3.134 20 0 BGADHO CCN(CC)CCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000089604343 360030512 /nfs/dbraw/zinc/03/05/12/360030512.db2.gz FFDKCWCTUDDJLM-CABCVRRESA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)(C)CCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000090076904 491122697 /nfs/dbraw/zinc/12/26/97/491122697.db2.gz NCZLMFDMLLDJCM-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090076904 491122696 /nfs/dbraw/zinc/12/26/96/491122696.db2.gz NCZLMFDMLLDJCM-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090076904 491122695 /nfs/dbraw/zinc/12/26/95/491122695.db2.gz NCZLMFDMLLDJCM-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000090076905 491122664 /nfs/dbraw/zinc/12/26/64/491122664.db2.gz NCZLMFDMLLDJCM-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090076905 491122663 /nfs/dbraw/zinc/12/26/63/491122663.db2.gz NCZLMFDMLLDJCM-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090076905 491122661 /nfs/dbraw/zinc/12/26/61/491122661.db2.gz NCZLMFDMLLDJCM-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H](C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000093079366 360214946 /nfs/dbraw/zinc/21/49/46/360214946.db2.gz HISRMFFZQHBTMD-CYBMUJFWSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H](C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000093079368 360215065 /nfs/dbraw/zinc/21/50/65/360215065.db2.gz HISRMFFZQHBTMD-ZDUSSCGKSA-N 1 3 238.419 3.029 20 0 BGADHO CCc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093211732 711726772 /nfs/dbraw/zinc/72/67/72/711726772.db2.gz JRZYTPGUPAQKMD-VBNZEHGJSA-N 1 3 246.398 3.170 20 0 BGADHO CCc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093211734 711726704 /nfs/dbraw/zinc/72/67/04/711726704.db2.gz JRZYTPGUPAQKMD-RCBQFDQVSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093211806 187361289 /nfs/dbraw/zinc/36/12/89/187361289.db2.gz AFRRTBZLDQDRGD-XHSDSOJGSA-N 1 3 246.398 3.243 20 0 BGADHO CC(C)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093211809 386405541 /nfs/dbraw/zinc/40/55/41/386405541.db2.gz AFRRTBZLDQDRGD-JYJNAYRXSA-N 1 3 246.398 3.243 20 0 BGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C)cc1 ZINC000093212641 386406918 /nfs/dbraw/zinc/40/69/18/386406918.db2.gz SDRXJPAPFWUHPQ-XHSDSOJGSA-N 1 3 246.398 3.306 20 0 BGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C)cc1 ZINC000093212645 171548619 /nfs/dbraw/zinc/54/86/19/171548619.db2.gz SDRXJPAPFWUHPQ-JYJNAYRXSA-N 1 3 246.398 3.306 20 0 BGADHO CCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093212865 360222855 /nfs/dbraw/zinc/22/28/55/360222855.db2.gz RGJGTEWNUUVKOE-XHSDSOJGSA-N 1 3 246.398 3.387 20 0 BGADHO CCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093212868 360222968 /nfs/dbraw/zinc/22/29/68/360222968.db2.gz RGJGTEWNUUVKOE-JYJNAYRXSA-N 1 3 246.398 3.387 20 0 BGADHO Cc1ccc(C)c([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093213485 178501077 /nfs/dbraw/zinc/50/10/77/178501077.db2.gz GSYCDMLFIYDESC-SOUVJXGZSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1ccc(C)c([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093213488 488139375 /nfs/dbraw/zinc/13/93/75/488139375.db2.gz GSYCDMLFIYDESC-KKUMJFAQSA-N 1 3 246.398 3.224 20 0 BGADHO CCC1CCC(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000093215164 344312408 /nfs/dbraw/zinc/31/24/08/344312408.db2.gz QXJPKNJXGKVYGN-PFSRBDOWSA-N 1 3 238.419 3.062 20 0 BGADHO CCC1CCC(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000093215167 343151290 /nfs/dbraw/zinc/15/12/90/343151290.db2.gz QXJPKNJXGKVYGN-WUCCLRPBSA-N 1 3 238.419 3.062 20 0 BGADHO CCC1CCC(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000093215169 343151317 /nfs/dbraw/zinc/15/13/17/343151317.db2.gz QXJPKNJXGKVYGN-NEXFUWMNSA-N 1 3 238.419 3.062 20 0 BGADHO CCC1CCC(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000093215171 343150830 /nfs/dbraw/zinc/15/08/30/343150830.db2.gz QXJPKNJXGKVYGN-CVSAEHQPSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093215672 386406041 /nfs/dbraw/zinc/40/60/41/386406041.db2.gz WYINKVBNPASYEJ-JKSUJKDBSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093215673 386406532 /nfs/dbraw/zinc/40/65/32/386406532.db2.gz WYINKVBNPASYEJ-HOTGVXAUSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093215675 386404902 /nfs/dbraw/zinc/40/49/02/386404902.db2.gz WYINKVBNPASYEJ-HZPDHXFCSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093215676 386405060 /nfs/dbraw/zinc/40/50/60/386405060.db2.gz WYINKVBNPASYEJ-CVEARBPZSA-N 1 3 246.398 3.170 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCCCC1 ZINC000093215857 488140068 /nfs/dbraw/zinc/14/00/68/488140068.db2.gz UMURAJVJKMRYKZ-ZNMIVQPWSA-N 1 3 238.419 3.205 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCCCC1 ZINC000093215861 488140009 /nfs/dbraw/zinc/14/00/09/488140009.db2.gz UMURAJVJKMRYKZ-KKUMJFAQSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000093215988 135591088 /nfs/dbraw/zinc/59/10/88/135591088.db2.gz SDXXVTUHHZPLMH-VNQPRFMTSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H](CC[NH2+][C@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000093215991 360222922 /nfs/dbraw/zinc/22/29/22/360222922.db2.gz SDXXVTUHHZPLMH-KBMXLJTQSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000093216198 344312364 /nfs/dbraw/zinc/31/23/64/344312364.db2.gz GTWJZNKRCFDXTR-APIJFGDWSA-N 1 3 238.419 3.062 20 0 BGADHO CCC(CC)[N@@H+](CC(C)C)C[C@@H]1CCCNC1 ZINC000093309089 360227954 /nfs/dbraw/zinc/22/79/54/360227954.db2.gz UEYASODVWRBECZ-CQSZACIVSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(CC)[N@H+](CC(C)C)C[C@@H]1CCCNC1 ZINC000093309089 360227950 /nfs/dbraw/zinc/22/79/50/360227950.db2.gz UEYASODVWRBECZ-CQSZACIVSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(CC)[N@@H+](CC(C)C)C[C@H]1CCCNC1 ZINC000093309090 360227830 /nfs/dbraw/zinc/22/78/30/360227830.db2.gz UEYASODVWRBECZ-AWEZNQCLSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(CC)[N@H+](CC(C)C)C[C@H]1CCCNC1 ZINC000093309090 360227825 /nfs/dbraw/zinc/22/78/25/360227825.db2.gz UEYASODVWRBECZ-AWEZNQCLSA-N 1 3 240.435 3.133 20 0 BGADHO CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000093488029 386835146 /nfs/dbraw/zinc/83/51/46/386835146.db2.gz SUUFIKYRVSPKTI-QLFBSQMISA-N 1 3 238.419 3.077 20 0 BGADHO CCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000093488031 386834466 /nfs/dbraw/zinc/83/44/66/386834466.db2.gz SUUFIKYRVSPKTI-SOUVJXGZSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCCN1 ZINC000093516023 384243938 /nfs/dbraw/zinc/24/39/38/384243938.db2.gz SRPGKNIWUNDPKI-AJNGGQMLSA-N 1 3 240.435 3.321 20 0 BGADHO CC[C@@H](c1ccccc1)N(C)CC(C)(C)C[NH3+] ZINC000093873083 353497147 /nfs/dbraw/zinc/49/71/47/353497147.db2.gz XJOKCNSQWUQGLB-AWEZNQCLSA-N 1 3 234.387 3.054 20 0 BGADHO CC[C@H](c1ccccc1)N(C)CC(C)(C)C[NH3+] ZINC000093873084 386430055 /nfs/dbraw/zinc/43/00/55/386430055.db2.gz XJOKCNSQWUQGLB-CQSZACIVSA-N 1 3 234.387 3.054 20 0 BGADHO C[C@@H](CCN(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000093873195 360286192 /nfs/dbraw/zinc/28/61/92/360286192.db2.gz NQSALQJCOHQDST-AWEZNQCLSA-N 1 3 248.414 3.097 20 0 BGADHO C[C@H](CCN(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000093873196 360286261 /nfs/dbraw/zinc/28/62/61/360286261.db2.gz NQSALQJCOHQDST-CQSZACIVSA-N 1 3 248.414 3.097 20 0 BGADHO CCCC(CCC)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000093977918 360292623 /nfs/dbraw/zinc/29/26/23/360292623.db2.gz HCAAJQCXJJCKEC-HUUCEWRRSA-N 1 3 238.419 3.172 20 0 BGADHO CCCC(CCC)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000093977919 360292066 /nfs/dbraw/zinc/29/20/66/360292066.db2.gz HCAAJQCXJJCKEC-LSDHHAIUSA-N 1 3 238.419 3.172 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000094274096 386941086 /nfs/dbraw/zinc/94/10/86/386941086.db2.gz UNZBEEYOFWJXJA-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CCCCC1(C)C ZINC000094274097 386940622 /nfs/dbraw/zinc/94/06/22/386940622.db2.gz UNZBEEYOFWJXJA-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CC1(C)CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000094274686 360302023 /nfs/dbraw/zinc/30/20/23/360302023.db2.gz SLDBIGPBZYZDAM-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO CC1(C)CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000094274687 360302252 /nfs/dbraw/zinc/30/22/52/360302252.db2.gz SLDBIGPBZYZDAM-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000094984497 644734032 /nfs/dbraw/zinc/73/40/32/644734032.db2.gz LXNYYZJQWAIIQN-ZIAGYGMSSA-N 1 3 240.435 3.310 20 0 BGADHO CCCCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000094984498 644735804 /nfs/dbraw/zinc/73/58/04/644735804.db2.gz LXNYYZJQWAIIQN-KGLIPLIRSA-N 1 3 240.435 3.310 20 0 BGADHO CCCCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000094984499 644734820 /nfs/dbraw/zinc/73/48/20/644734820.db2.gz LXNYYZJQWAIIQN-UONOGXRCSA-N 1 3 240.435 3.310 20 0 BGADHO CCCCCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000094984500 644734593 /nfs/dbraw/zinc/73/45/93/644734593.db2.gz LXNYYZJQWAIIQN-KBPBESRZSA-N 1 3 240.435 3.310 20 0 BGADHO C[C@@H](c1ccccc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098181 176019958 /nfs/dbraw/zinc/01/99/58/176019958.db2.gz HVJQJOIBIBGQBT-LSDHHAIUSA-N 1 3 246.398 3.021 20 0 BGADHO C[C@@H](c1ccccc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098181 176019957 /nfs/dbraw/zinc/01/99/57/176019957.db2.gz HVJQJOIBIBGQBT-LSDHHAIUSA-N 1 3 246.398 3.021 20 0 BGADHO C[C@H](c1ccccc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098183 177039060 /nfs/dbraw/zinc/03/90/60/177039060.db2.gz HVJQJOIBIBGQBT-HUUCEWRRSA-N 1 3 246.398 3.021 20 0 BGADHO C[C@H](c1ccccc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098183 177039057 /nfs/dbraw/zinc/03/90/57/177039057.db2.gz HVJQJOIBIBGQBT-HUUCEWRRSA-N 1 3 246.398 3.021 20 0 BGADHO CCN(CC)CCC[NH2+]CCC1CCCCC1 ZINC000107785856 322862358 /nfs/dbraw/zinc/86/23/58/322862358.db2.gz OKVZJMMHNQDZTL-UHFFFAOYSA-N 1 3 240.435 3.278 20 0 BGADHO Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2CCN)c1 ZINC000111380627 387076922 /nfs/dbraw/zinc/07/69/22/387076922.db2.gz HCLTUEFJMQZANL-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2CCN)c1 ZINC000111380627 387076918 /nfs/dbraw/zinc/07/69/18/387076918.db2.gz HCLTUEFJMQZANL-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cc(C)cc(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000111380627 387076915 /nfs/dbraw/zinc/07/69/15/387076915.db2.gz HCLTUEFJMQZANL-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2CCN)c1 ZINC000111380629 387078012 /nfs/dbraw/zinc/07/80/12/387078012.db2.gz HCLTUEFJMQZANL-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cc(C)cc(C[N@@H+]2CCCC[C@H]2CCN)c1 ZINC000111380629 387078008 /nfs/dbraw/zinc/07/80/08/387078008.db2.gz HCLTUEFJMQZANL-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cc(C)cc(CN2CCCC[C@H]2CC[NH3+])c1 ZINC000111380629 387078007 /nfs/dbraw/zinc/07/80/07/387078007.db2.gz HCLTUEFJMQZANL-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C)c(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000111380637 387077122 /nfs/dbraw/zinc/07/71/22/387077122.db2.gz GNCGNRJGHYIWQF-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2CCN)c1 ZINC000111380637 387077118 /nfs/dbraw/zinc/07/71/18/387077118.db2.gz GNCGNRJGHYIWQF-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2CCN)c1 ZINC000111380637 387077113 /nfs/dbraw/zinc/07/71/13/387077113.db2.gz GNCGNRJGHYIWQF-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C)c(CN2CCCC[C@H]2CC[NH3+])c1 ZINC000111380639 387077809 /nfs/dbraw/zinc/07/78/09/387077809.db2.gz GNCGNRJGHYIWQF-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2CCN)c1 ZINC000111380639 387077805 /nfs/dbraw/zinc/07/78/05/387077805.db2.gz GNCGNRJGHYIWQF-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2CCN)c1 ZINC000111380639 387077804 /nfs/dbraw/zinc/07/78/04/387077804.db2.gz GNCGNRJGHYIWQF-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1C ZINC000111380684 384192255 /nfs/dbraw/zinc/19/22/55/384192255.db2.gz IPKUSLMLXRILAP-MRXNPFEDSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1C ZINC000111380686 384190785 /nfs/dbraw/zinc/19/07/85/384190785.db2.gz IPKUSLMLXRILAP-INIZCTEOSA-N 1 3 246.398 3.007 20 0 BGADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C(C)(C)C ZINC000112375769 385841769 /nfs/dbraw/zinc/84/17/69/385841769.db2.gz JOXYCQKKNOKKGY-ZDUSSCGKSA-N 1 3 248.414 3.272 20 0 BGADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C(C)(C)C ZINC000112375770 385842029 /nfs/dbraw/zinc/84/20/29/385842029.db2.gz JOXYCQKKNOKKGY-CYBMUJFWSA-N 1 3 248.414 3.272 20 0 BGADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCCCC1(C)C ZINC000119860756 173052797 /nfs/dbraw/zinc/05/27/97/173052797.db2.gz AVTSQBQEYQIABA-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCCCC1(C)C ZINC000119860920 173052743 /nfs/dbraw/zinc/05/27/43/173052743.db2.gz AVTSQBQEYQIABA-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCCC1(C)C ZINC000119861058 173027347 /nfs/dbraw/zinc/02/73/47/173027347.db2.gz AVTSQBQEYQIABA-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCCC1(C)C ZINC000119861224 173026715 /nfs/dbraw/zinc/02/67/15/173026715.db2.gz AVTSQBQEYQIABA-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H](C)CN1CCC([NH2+]C2CCCC2)CC1 ZINC000120873351 387278768 /nfs/dbraw/zinc/27/87/68/387278768.db2.gz ZDACCXKKRBQHJH-CYBMUJFWSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H](C)CN1CCC([NH2+]C2CCCC2)CC1 ZINC000120873496 171279878 /nfs/dbraw/zinc/27/98/78/171279878.db2.gz ZDACCXKKRBQHJH-ZDUSSCGKSA-N 1 3 238.419 3.029 20 0 BGADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(N(C)C)CC1 ZINC000121023086 179317145 /nfs/dbraw/zinc/31/71/45/179317145.db2.gz LGHGJUQNJXWCTK-CQSZACIVSA-N 1 3 246.398 3.082 20 0 BGADHO Cc1ccccc1[C@H](C)[NH+]1CCC(N(C)C)CC1 ZINC000121023246 179334461 /nfs/dbraw/zinc/33/44/61/179334461.db2.gz LGHGJUQNJXWCTK-AWEZNQCLSA-N 1 3 246.398 3.082 20 0 BGADHO C1=CCC(NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000121983459 490115615 /nfs/dbraw/zinc/11/56/15/490115615.db2.gz ZJGNRMVSFDIBMV-UHFFFAOYSA-N 1 3 248.414 3.092 20 0 BGADHO C1=CCC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000121983459 490115609 /nfs/dbraw/zinc/11/56/09/490115609.db2.gz ZJGNRMVSFDIBMV-UHFFFAOYSA-N 1 3 248.414 3.092 20 0 BGADHO CC(C)CCC[NH2+]C1CCN(CC(C)C)CC1 ZINC000122131650 324030038 /nfs/dbraw/zinc/03/00/38/324030038.db2.gz XWGKTPQOFOAULQ-UHFFFAOYSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)[C@@H](C)[NH2+]CCCN(C(C)C)C(C)C ZINC000122289429 324038289 /nfs/dbraw/zinc/03/82/89/324038289.db2.gz CZQSTVLKBFPAOC-CQSZACIVSA-N 1 3 228.424 3.129 20 0 BGADHO CC(C)[C@H](C)[NH2+]CCCN(C(C)C)C(C)C ZINC000122289632 324038074 /nfs/dbraw/zinc/03/80/74/324038074.db2.gz CZQSTVLKBFPAOC-AWEZNQCLSA-N 1 3 228.424 3.129 20 0 BGADHO CC[C@@H]1CN([C@@H](C)c2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000122304083 411427333 /nfs/dbraw/zinc/42/73/33/411427333.db2.gz UOSUREDUSVHUDV-LZWOXQAQSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1N ZINC000122309861 411427031 /nfs/dbraw/zinc/42/70/31/411427031.db2.gz ABGJUNXACVIOIW-CABCVRRESA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@H+](CC2CCCCCC2)CC[C@@H]1N ZINC000122309861 411427027 /nfs/dbraw/zinc/42/70/27/411427027.db2.gz ABGJUNXACVIOIW-CABCVRRESA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1N ZINC000122310131 411428200 /nfs/dbraw/zinc/42/82/00/411428200.db2.gz ABGJUNXACVIOIW-GJZGRUSLSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@H+](CC2CCCCCC2)CC[C@@H]1N ZINC000122310131 411428196 /nfs/dbraw/zinc/42/81/96/411428196.db2.gz ABGJUNXACVIOIW-GJZGRUSLSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1CN(CCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000122337670 411426698 /nfs/dbraw/zinc/42/66/98/411426698.db2.gz GQQPMZRWDQMCKL-CABCVRRESA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1N ZINC000122337670 411426696 /nfs/dbraw/zinc/42/66/96/411426696.db2.gz GQQPMZRWDQMCKL-CABCVRRESA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@H+](CCC2CCCCC2)CC[C@@H]1N ZINC000122337670 411426694 /nfs/dbraw/zinc/42/66/94/411426694.db2.gz GQQPMZRWDQMCKL-CABCVRRESA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1CN(CCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000122337893 411427944 /nfs/dbraw/zinc/42/79/44/411427944.db2.gz GQQPMZRWDQMCKL-GJZGRUSLSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1N ZINC000122337893 411427942 /nfs/dbraw/zinc/42/79/42/411427942.db2.gz GQQPMZRWDQMCKL-GJZGRUSLSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@H+](CCC2CCCCC2)CC[C@@H]1N ZINC000122337893 411427939 /nfs/dbraw/zinc/42/79/39/411427939.db2.gz GQQPMZRWDQMCKL-GJZGRUSLSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000122361733 411431753 /nfs/dbraw/zinc/43/17/53/411431753.db2.gz KEHGDZIPFAFCIJ-KBMXLJTQSA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000122361733 411431751 /nfs/dbraw/zinc/43/17/51/411431751.db2.gz KEHGDZIPFAFCIJ-KBMXLJTQSA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@@H](c1ccccc1)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122361733 411431747 /nfs/dbraw/zinc/43/17/47/411431747.db2.gz KEHGDZIPFAFCIJ-KBMXLJTQSA-N 1 3 246.398 3.197 20 0 BGADHO C[C@@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000122545333 343374675 /nfs/dbraw/zinc/37/46/75/343374675.db2.gz GEIUHNWUESYLSZ-DDTOSNHZSA-N 1 3 232.371 3.155 20 0 BGADHO C[C@@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000122545750 343374964 /nfs/dbraw/zinc/37/49/64/343374964.db2.gz GEIUHNWUESYLSZ-SWHYSGLUSA-N 1 3 232.371 3.155 20 0 BGADHO C[C@@H](c1ccc2ccccc2c1)N(C)CCC[NH3+] ZINC000123282078 490212780 /nfs/dbraw/zinc/21/27/80/490212780.db2.gz BLVILDPYZMMAGQ-ZDUSSCGKSA-N 1 3 242.366 3.181 20 0 BGADHO C[C@H](c1ccc2ccccc2c1)N(C)CCC[NH3+] ZINC000123282264 490212760 /nfs/dbraw/zinc/21/27/60/490212760.db2.gz BLVILDPYZMMAGQ-CYBMUJFWSA-N 1 3 242.366 3.181 20 0 BGADHO C[C@@H]1CC[C@H](C)N1CCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123295303 177185619 /nfs/dbraw/zinc/18/56/19/177185619.db2.gz HNITZBYTSWWINU-NMWPEEMBSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H]1CC[C@H](C)N1CCC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123295303 177185618 /nfs/dbraw/zinc/18/56/18/177185618.db2.gz HNITZBYTSWWINU-NMWPEEMBSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCCN1[C@@H](C)CC[C@@H]1C ZINC000123295519 177198740 /nfs/dbraw/zinc/19/87/40/177198740.db2.gz HNITZBYTSWWINU-ZQDZILKHSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H]1CC[C@H](C)[N@H+]1CCCN1[C@@H](C)CC[C@@H]1C ZINC000123295519 177198738 /nfs/dbraw/zinc/19/87/38/177198738.db2.gz HNITZBYTSWWINU-ZQDZILKHSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H]1CC[C@H](C)N1CCC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000123295519 177198736 /nfs/dbraw/zinc/19/87/36/177198736.db2.gz HNITZBYTSWWINU-ZQDZILKHSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H]1CC[C@H](C)N1CCC[NH+]1[C@H](C)CC[C@H]1C ZINC000123295746 177186351 /nfs/dbraw/zinc/18/63/51/177186351.db2.gz HNITZBYTSWWINU-TUVASFSCSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H]1CC[C@@H](C)N1CCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123295746 177186350 /nfs/dbraw/zinc/18/63/50/177186350.db2.gz HNITZBYTSWWINU-TUVASFSCSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H]1CC[C@@H](C)N1CCC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123295746 177186348 /nfs/dbraw/zinc/18/63/48/177186348.db2.gz HNITZBYTSWWINU-TUVASFSCSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCCN ZINC000123331157 490221540 /nfs/dbraw/zinc/22/15/40/490221540.db2.gz YTDAMQVGTXSQLK-ZDUSSCGKSA-N 1 3 242.366 3.181 20 0 BGADHO C[C@@H](c1cccc2ccccc21)[N@H+](C)CCCN ZINC000123331157 490221536 /nfs/dbraw/zinc/22/15/36/490221536.db2.gz YTDAMQVGTXSQLK-ZDUSSCGKSA-N 1 3 242.366 3.181 20 0 BGADHO C[C@@H](c1cccc2ccccc21)N(C)CCC[NH3+] ZINC000123331157 490221533 /nfs/dbraw/zinc/22/15/33/490221533.db2.gz YTDAMQVGTXSQLK-ZDUSSCGKSA-N 1 3 242.366 3.181 20 0 BGADHO C[C@H](c1cccc2ccccc21)[N@@H+](C)CCCN ZINC000123331381 490486994 /nfs/dbraw/zinc/48/69/94/490486994.db2.gz YTDAMQVGTXSQLK-CYBMUJFWSA-N 1 3 242.366 3.181 20 0 BGADHO C[C@H](c1cccc2ccccc21)[N@H+](C)CCCN ZINC000123331381 490486990 /nfs/dbraw/zinc/48/69/90/490486990.db2.gz YTDAMQVGTXSQLK-CYBMUJFWSA-N 1 3 242.366 3.181 20 0 BGADHO C[C@H](c1cccc2ccccc21)N(C)CCC[NH3+] ZINC000123331381 490486986 /nfs/dbraw/zinc/48/69/86/490486986.db2.gz YTDAMQVGTXSQLK-CYBMUJFWSA-N 1 3 242.366 3.181 20 0 BGADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)CCC[NH3+] ZINC000123331635 411448912 /nfs/dbraw/zinc/44/89/12/411448912.db2.gz ZZOYKBNCIUMFLL-ZDUSSCGKSA-N 1 3 248.414 3.326 20 0 BGADHO C[C@H](c1ccc(C(C)(C)C)cc1)N(C)CCC[NH3+] ZINC000123331842 411448921 /nfs/dbraw/zinc/44/89/21/411448921.db2.gz ZZOYKBNCIUMFLL-CYBMUJFWSA-N 1 3 248.414 3.326 20 0 BGADHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123595614 387586201 /nfs/dbraw/zinc/58/62/01/387586201.db2.gz WMKUXVWPXDISNV-ZIAGYGMSSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123595795 171366048 /nfs/dbraw/zinc/36/60/48/171366048.db2.gz WMKUXVWPXDISNV-UONOGXRCSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123595966 387585920 /nfs/dbraw/zinc/58/59/20/387585920.db2.gz WMKUXVWPXDISNV-KGLIPLIRSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123596136 171389471 /nfs/dbraw/zinc/38/94/71/171389471.db2.gz WMKUXVWPXDISNV-KBPBESRZSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@@H](c1ccccc1)N(C)CC[C@H]([NH3+])C(C)C ZINC000123672982 358506008 /nfs/dbraw/zinc/50/60/08/358506008.db2.gz YQBUJWQQBAXOOK-HOTGVXAUSA-N 1 3 248.414 3.443 20 0 BGADHO CC[C@H](c1ccccc1)N(C)CC[C@H]([NH3+])C(C)C ZINC000123673186 387590418 /nfs/dbraw/zinc/59/04/18/387590418.db2.gz YQBUJWQQBAXOOK-JKSUJKDBSA-N 1 3 248.414 3.443 20 0 BGADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C(C)C ZINC000123678503 387590497 /nfs/dbraw/zinc/59/04/97/387590497.db2.gz VDFHGSRFSSCSPT-INIZCTEOSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C(C)C ZINC000123678711 358506049 /nfs/dbraw/zinc/50/60/49/358506049.db2.gz VDFHGSRFSSCSPT-MRXNPFEDSA-N 1 3 248.414 3.272 20 0 BGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C(C)(C)C ZINC000123695727 398094290 /nfs/dbraw/zinc/09/42/90/398094290.db2.gz JREPPGYFNGLYOJ-ZDUSSCGKSA-N 1 3 248.414 3.272 20 0 BGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C(C)(C)C ZINC000123695962 398094400 /nfs/dbraw/zinc/09/44/00/398094400.db2.gz JREPPGYFNGLYOJ-CYBMUJFWSA-N 1 3 248.414 3.272 20 0 BGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1(C)CC1 ZINC000123696197 387591771 /nfs/dbraw/zinc/59/17/71/387591771.db2.gz SZQYOPLFFYDLFP-ZDUSSCGKSA-N 1 3 246.398 3.026 20 0 BGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1(C)CC1 ZINC000123696404 387592555 /nfs/dbraw/zinc/59/25/55/387592555.db2.gz SZQYOPLFFYDLFP-CYBMUJFWSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC1 ZINC000123715167 384578400 /nfs/dbraw/zinc/57/84/00/384578400.db2.gz MTNTXWHWRWTQKU-INIZCTEOSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC1 ZINC000123715419 345013108 /nfs/dbraw/zinc/01/31/08/345013108.db2.gz MTNTXWHWRWTQKU-MRXNPFEDSA-N 1 3 246.398 3.026 20 0 BGADHO Cc1cccc([C@@H](C)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000123743197 179179095 /nfs/dbraw/zinc/17/90/95/179179095.db2.gz ZNDXTXYCSLHNAY-ZBFHGGJFSA-N 1 3 248.414 3.361 20 0 BGADHO Cc1cccc([C@H](C)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000123743401 179193145 /nfs/dbraw/zinc/19/31/45/179193145.db2.gz ZNDXTXYCSLHNAY-HOCLYGCPSA-N 1 3 248.414 3.361 20 0 BGADHO CC(C)(C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000123903993 589851202 /nfs/dbraw/zinc/85/12/02/589851202.db2.gz CGKUZYSGNQAGTL-UONOGXRCSA-N 1 3 232.371 3.157 20 0 BGADHO CC(C)(C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000123904188 589850375 /nfs/dbraw/zinc/85/03/75/589850375.db2.gz CGKUZYSGNQAGTL-KBPBESRZSA-N 1 3 232.371 3.157 20 0 BGADHO CC(C)(C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000123904381 589850757 /nfs/dbraw/zinc/85/07/57/589850757.db2.gz CGKUZYSGNQAGTL-ZIAGYGMSSA-N 1 3 232.371 3.157 20 0 BGADHO CC(C)(C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000123904551 589850872 /nfs/dbraw/zinc/85/08/72/589850872.db2.gz CGKUZYSGNQAGTL-KGLIPLIRSA-N 1 3 232.371 3.157 20 0 BGADHO CCCC[C@@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000123960558 411189202 /nfs/dbraw/zinc/18/92/02/411189202.db2.gz ZEUHVOYGOZOKFU-CYBMUJFWSA-N 1 3 246.398 3.001 20 0 BGADHO CCCC[C@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000123960785 411188965 /nfs/dbraw/zinc/18/89/65/411188965.db2.gz ZEUHVOYGOZOKFU-ZDUSSCGKSA-N 1 3 246.398 3.001 20 0 BGADHO CC[C@H](C)N(C)CC(C)C[N@@H+](C)[C@@H](C)CC ZINC000124421459 384639744 /nfs/dbraw/zinc/63/97/44/384639744.db2.gz KIOHEFQEBKHOGF-KBPBESRZSA-N 1 3 228.424 3.083 20 0 BGADHO CC[C@H](C)N(C)CC(C)C[N@H+](C)[C@@H](C)CC ZINC000124421459 384639742 /nfs/dbraw/zinc/63/97/42/384639742.db2.gz KIOHEFQEBKHOGF-KBPBESRZSA-N 1 3 228.424 3.083 20 0 BGADHO CCC(CC)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000124806384 168363921 /nfs/dbraw/zinc/36/39/21/168363921.db2.gz KLGOGZZUHIWGTQ-LSDHHAIUSA-N 1 3 232.371 3.157 20 0 BGADHO CCC(CC)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000124806647 168365245 /nfs/dbraw/zinc/36/52/45/168365245.db2.gz KLGOGZZUHIWGTQ-GJZGRUSLSA-N 1 3 232.371 3.157 20 0 BGADHO CCC(CC)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000124806925 168362967 /nfs/dbraw/zinc/36/29/67/168362967.db2.gz KLGOGZZUHIWGTQ-HUUCEWRRSA-N 1 3 232.371 3.157 20 0 BGADHO CCC(CC)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000124807140 168364466 /nfs/dbraw/zinc/36/44/66/168364466.db2.gz KLGOGZZUHIWGTQ-CABCVRRESA-N 1 3 232.371 3.157 20 0 BGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125282525 386789555 /nfs/dbraw/zinc/78/95/55/386789555.db2.gz VUMXNOKVGAHDAW-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H](N)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000125282525 386789545 /nfs/dbraw/zinc/78/95/45/386789545.db2.gz VUMXNOKVGAHDAW-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125282770 386789283 /nfs/dbraw/zinc/78/92/83/386789283.db2.gz VUMXNOKVGAHDAW-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](N)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000125282770 386789280 /nfs/dbraw/zinc/78/92/80/386789280.db2.gz VUMXNOKVGAHDAW-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H](N)[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125282971 386791416 /nfs/dbraw/zinc/79/14/16/386791416.db2.gz VUMXNOKVGAHDAW-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H](N)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000125282971 386791414 /nfs/dbraw/zinc/79/14/14/386791414.db2.gz VUMXNOKVGAHDAW-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](N)[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000125283125 386791355 /nfs/dbraw/zinc/79/13/55/386791355.db2.gz VUMXNOKVGAHDAW-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](N)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000125283125 386791352 /nfs/dbraw/zinc/79/13/52/386791352.db2.gz VUMXNOKVGAHDAW-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)CN1CCCCC1 ZINC000125635086 388673780 /nfs/dbraw/zinc/67/37/80/388673780.db2.gz UIGNDSZMSYLJCK-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)CN1CCCCC1 ZINC000125635307 388673114 /nfs/dbraw/zinc/67/31/14/388673114.db2.gz UIGNDSZMSYLJCK-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C(C)(C)C ZINC000125635509 388672712 /nfs/dbraw/zinc/67/27/12/388672712.db2.gz UIGNDSZMSYLJCK-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](C[NH2+][C@H](C)C(C)(C)C)CN1CCCCC1 ZINC000125635732 324645616 /nfs/dbraw/zinc/64/56/16/324645616.db2.gz UIGNDSZMSYLJCK-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125744834 388675837 /nfs/dbraw/zinc/67/58/37/388675837.db2.gz MRIYBWFOEXDOKJ-ZNMIVQPWSA-N 1 3 240.435 3.131 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125745237 388675976 /nfs/dbraw/zinc/67/59/76/388675976.db2.gz MRIYBWFOEXDOKJ-KKUMJFAQSA-N 1 3 240.435 3.131 20 0 BGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C(C)C ZINC000125897220 388681555 /nfs/dbraw/zinc/68/15/55/388681555.db2.gz HLBGIQPDANXRHR-GJZGRUSLSA-N 1 3 240.435 3.131 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C(C)C ZINC000125897467 388681584 /nfs/dbraw/zinc/68/15/84/388681584.db2.gz HLBGIQPDANXRHR-LSDHHAIUSA-N 1 3 240.435 3.131 20 0 BGADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C(C)C ZINC000125897690 388681592 /nfs/dbraw/zinc/68/15/92/388681592.db2.gz HLBGIQPDANXRHR-CABCVRRESA-N 1 3 240.435 3.131 20 0 BGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C(C)C ZINC000125897903 388681306 /nfs/dbraw/zinc/68/13/06/388681306.db2.gz HLBGIQPDANXRHR-HUUCEWRRSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000125937603 388683668 /nfs/dbraw/zinc/68/36/68/388683668.db2.gz UHWQGMCFCNARLN-UONOGXRCSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000125937839 388682881 /nfs/dbraw/zinc/68/28/81/388682881.db2.gz UHWQGMCFCNARLN-KBPBESRZSA-N 1 3 240.435 3.131 20 0 BGADHO C1=C(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCCC1 ZINC000127737410 387724741 /nfs/dbraw/zinc/72/47/41/387724741.db2.gz YLMJKDCFAOFUOK-HZPDHXFCSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000127737410 387724735 /nfs/dbraw/zinc/72/47/35/387724735.db2.gz YLMJKDCFAOFUOK-HZPDHXFCSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000127737410 387724730 /nfs/dbraw/zinc/72/47/30/387724730.db2.gz YLMJKDCFAOFUOK-HZPDHXFCSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCCC1 ZINC000127737613 387726820 /nfs/dbraw/zinc/72/68/20/387726820.db2.gz YLMJKDCFAOFUOK-JKSUJKDBSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000127737613 387726818 /nfs/dbraw/zinc/72/68/18/387726818.db2.gz YLMJKDCFAOFUOK-JKSUJKDBSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000127737613 387726814 /nfs/dbraw/zinc/72/68/14/387726814.db2.gz YLMJKDCFAOFUOK-JKSUJKDBSA-N 1 3 248.414 3.093 20 0 BGADHO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000128057633 171298324 /nfs/dbraw/zinc/29/83/24/171298324.db2.gz YENXVINNILMMCE-BYNSBNAKSA-N 1 3 238.419 3.028 20 0 BGADHO CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)c1ccccc1 ZINC000128426171 187395318 /nfs/dbraw/zinc/39/53/18/187395318.db2.gz YDHULUQMXCATQU-DZGCQCFKSA-N 1 3 234.387 3.053 20 0 BGADHO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)c1ccccc1 ZINC000128426392 387745639 /nfs/dbraw/zinc/74/56/39/387745639.db2.gz YDHULUQMXCATQU-ZFWWWQNUSA-N 1 3 234.387 3.053 20 0 BGADHO C[C@@H](CC1CC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128531186 388768092 /nfs/dbraw/zinc/76/80/92/388768092.db2.gz DTCWJJVUPYOAJO-NSHDSACASA-N 1 3 238.419 3.074 20 0 BGADHO C[C@H](CC1CC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128531435 388768432 /nfs/dbraw/zinc/76/84/32/388768432.db2.gz DTCWJJVUPYOAJO-LLVKDONJSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@@H](CC1CC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000128552996 388771987 /nfs/dbraw/zinc/77/19/87/388771987.db2.gz JRDPBLVYJHIHFL-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H](CC1CC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000128553205 388772015 /nfs/dbraw/zinc/77/20/15/388772015.db2.gz JRDPBLVYJHIHFL-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CCc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000128988469 591200758 /nfs/dbraw/zinc/20/07/58/591200758.db2.gz LTOSZVKZUVWJNZ-CZUORRHYSA-N 1 3 246.398 3.042 20 0 BGADHO CCc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000128988672 591200988 /nfs/dbraw/zinc/20/09/88/591200988.db2.gz LTOSZVKZUVWJNZ-XJKSGUPXSA-N 1 3 246.398 3.042 20 0 BGADHO CCc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000128988884 171831975 /nfs/dbraw/zinc/83/19/75/171831975.db2.gz LTOSZVKZUVWJNZ-CJNGLKHVSA-N 1 3 246.398 3.042 20 0 BGADHO CCc1ccc([C@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000128989034 591200520 /nfs/dbraw/zinc/20/05/20/591200520.db2.gz LTOSZVKZUVWJNZ-BBRMVZONSA-N 1 3 246.398 3.042 20 0 BGADHO CC(C)[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128991817 386044746 /nfs/dbraw/zinc/04/47/46/386044746.db2.gz NWIXSXVFJVGDRQ-CVEARBPZSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128992035 386043023 /nfs/dbraw/zinc/04/30/23/386043023.db2.gz NWIXSXVFJVGDRQ-HZPDHXFCSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)[C@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128992251 386043779 /nfs/dbraw/zinc/04/37/79/386043779.db2.gz NWIXSXVFJVGDRQ-HOTGVXAUSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128992488 386042675 /nfs/dbraw/zinc/04/26/75/386042675.db2.gz NWIXSXVFJVGDRQ-JKSUJKDBSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(C)cc1 ZINC000129026956 386045006 /nfs/dbraw/zinc/04/50/06/386045006.db2.gz NLPXGWIHUCLYDM-CVEARBPZSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(C)cc1 ZINC000129027166 353308522 /nfs/dbraw/zinc/30/85/22/353308522.db2.gz NLPXGWIHUCLYDM-HZPDHXFCSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(C)cc1 ZINC000129027355 386043611 /nfs/dbraw/zinc/04/36/11/386043611.db2.gz NLPXGWIHUCLYDM-HOTGVXAUSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(C)cc1 ZINC000129027574 170914276 /nfs/dbraw/zinc/91/42/76/170914276.db2.gz NLPXGWIHUCLYDM-JKSUJKDBSA-N 1 3 246.398 3.178 20 0 BGADHO CCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000129036676 387760669 /nfs/dbraw/zinc/76/06/69/387760669.db2.gz MHZPGPSVHQABRV-CVEARBPZSA-N 1 3 246.398 3.260 20 0 BGADHO CCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000129036851 387760057 /nfs/dbraw/zinc/76/00/57/387760057.db2.gz MHZPGPSVHQABRV-HZPDHXFCSA-N 1 3 246.398 3.260 20 0 BGADHO CCC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000129037072 387761091 /nfs/dbraw/zinc/76/10/91/387761091.db2.gz MHZPGPSVHQABRV-HOTGVXAUSA-N 1 3 246.398 3.260 20 0 BGADHO CCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000129037271 387759960 /nfs/dbraw/zinc/75/99/60/387759960.db2.gz MHZPGPSVHQABRV-JKSUJKDBSA-N 1 3 246.398 3.260 20 0 BGADHO Cc1ccc(C)c([C@@H](C)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000129066234 488072142 /nfs/dbraw/zinc/07/21/42/488072142.db2.gz OVZVUHJIUSYFRV-HUUCEWRRSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc(C)c([C@H](C)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000129066448 488072150 /nfs/dbraw/zinc/07/21/50/488072150.db2.gz OVZVUHJIUSYFRV-LSDHHAIUSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc(C)c([C@@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000129066645 488071961 /nfs/dbraw/zinc/07/19/61/488071961.db2.gz OVZVUHJIUSYFRV-CABCVRRESA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc(C)c([C@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000129066845 488071984 /nfs/dbraw/zinc/07/19/84/488071984.db2.gz OVZVUHJIUSYFRV-GJZGRUSLSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000129133424 591259418 /nfs/dbraw/zinc/25/94/18/591259418.db2.gz DRQHSHZEPRBTEX-HUUCEWRRSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000129133658 591259865 /nfs/dbraw/zinc/25/98/65/591259865.db2.gz DRQHSHZEPRBTEX-LSDHHAIUSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000129133865 591260147 /nfs/dbraw/zinc/26/01/47/591260147.db2.gz DRQHSHZEPRBTEX-CABCVRRESA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000129134071 178899363 /nfs/dbraw/zinc/89/93/63/178899363.db2.gz DRQHSHZEPRBTEX-GJZGRUSLSA-N 1 3 246.398 3.096 20 0 BGADHO CCCC1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000129191895 386064055 /nfs/dbraw/zinc/06/40/55/386064055.db2.gz RTWATNGFTXOWNV-SHARSMKWSA-N 1 3 238.419 3.077 20 0 BGADHO CCCC1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000129192078 386061768 /nfs/dbraw/zinc/06/17/68/386061768.db2.gz RTWATNGFTXOWNV-SLTAFYQDSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000129226843 411238232 /nfs/dbraw/zinc/23/82/32/411238232.db2.gz RYWBESUFNJJRKF-CABCVRRESA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000129227069 410370587 /nfs/dbraw/zinc/37/05/87/410370587.db2.gz RYWBESUFNJJRKF-HUUCEWRRSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000129227261 410369994 /nfs/dbraw/zinc/36/99/94/410369994.db2.gz RYWBESUFNJJRKF-GJZGRUSLSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000129227483 411238354 /nfs/dbraw/zinc/23/83/54/411238354.db2.gz RYWBESUFNJJRKF-LSDHHAIUSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCCCC1 ZINC000129328564 411244860 /nfs/dbraw/zinc/24/48/60/411244860.db2.gz AHJQRPMPMXRNLL-DZGCQCFKSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H]([NH2+][C@H]1CCCNCC1)C1CCCCCC1 ZINC000129328801 411243924 /nfs/dbraw/zinc/24/39/24/411243924.db2.gz AHJQRPMPMXRNLL-ZFWWWQNUSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCCCC1 ZINC000129329018 411244564 /nfs/dbraw/zinc/24/45/64/411244564.db2.gz AHJQRPMPMXRNLL-UKRRQHHQSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCCCC1 ZINC000129329255 411244641 /nfs/dbraw/zinc/24/46/41/411244641.db2.gz AHJQRPMPMXRNLL-HIFRSBDPSA-N 1 3 238.419 3.077 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129602634 179322011 /nfs/dbraw/zinc/32/20/11/179322011.db2.gz YYXLAPAVSWUGIC-RBSFLKMASA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129602634 179322010 /nfs/dbraw/zinc/32/20/10/179322010.db2.gz YYXLAPAVSWUGIC-RBSFLKMASA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129602828 179339447 /nfs/dbraw/zinc/33/94/47/179339447.db2.gz YYXLAPAVSWUGIC-QLFBSQMISA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129602828 179339444 /nfs/dbraw/zinc/33/94/44/179339444.db2.gz YYXLAPAVSWUGIC-QLFBSQMISA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129603041 179323038 /nfs/dbraw/zinc/32/30/38/179323038.db2.gz YYXLAPAVSWUGIC-KFWWJZLASA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129603041 179323037 /nfs/dbraw/zinc/32/30/37/179323037.db2.gz YYXLAPAVSWUGIC-KFWWJZLASA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129603233 179339557 /nfs/dbraw/zinc/33/95/57/179339557.db2.gz YYXLAPAVSWUGIC-ILXRZTDVSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129603233 179339553 /nfs/dbraw/zinc/33/95/53/179339553.db2.gz YYXLAPAVSWUGIC-ILXRZTDVSA-N 1 3 246.398 3.128 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130131882 385223013 /nfs/dbraw/zinc/22/30/13/385223013.db2.gz YKZABICNZAKFLU-RRFJBIMHSA-N 1 3 238.419 3.172 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130132312 358610496 /nfs/dbraw/zinc/61/04/96/358610496.db2.gz YKZABICNZAKFLU-SOUVJXGZSA-N 1 3 238.419 3.172 20 0 BGADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130201414 358614237 /nfs/dbraw/zinc/61/42/37/358614237.db2.gz LRFCBOVPHZYMFC-RRFJBIMHSA-N 1 3 238.419 3.028 20 0 BGADHO CC(C)CC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130201848 358614211 /nfs/dbraw/zinc/61/42/11/358614211.db2.gz LRFCBOVPHZYMFC-SOUVJXGZSA-N 1 3 238.419 3.028 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130233148 325027614 /nfs/dbraw/zinc/02/76/14/325027614.db2.gz VYSPKBVDNFHVJY-RRFJBIMHSA-N 1 3 238.419 3.172 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130233512 325027589 /nfs/dbraw/zinc/02/75/89/325027589.db2.gz VYSPKBVDNFHVJY-SOUVJXGZSA-N 1 3 238.419 3.172 20 0 BGADHO Cc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130278158 385235050 /nfs/dbraw/zinc/23/50/50/385235050.db2.gz BEFUOXHITNZUOD-IIAWOOMASA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130278158 385235041 /nfs/dbraw/zinc/23/50/41/385235041.db2.gz BEFUOXHITNZUOD-IIAWOOMASA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130278343 385233757 /nfs/dbraw/zinc/23/37/57/385233757.db2.gz BEFUOXHITNZUOD-IJEWVQPXSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130278343 385233754 /nfs/dbraw/zinc/23/37/54/385233754.db2.gz BEFUOXHITNZUOD-IJEWVQPXSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130278572 385233664 /nfs/dbraw/zinc/23/36/64/385233664.db2.gz BEFUOXHITNZUOD-FMKPAKJESA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130278572 385233657 /nfs/dbraw/zinc/23/36/57/385233657.db2.gz BEFUOXHITNZUOD-FMKPAKJESA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130278771 385234816 /nfs/dbraw/zinc/23/48/16/385234816.db2.gz BEFUOXHITNZUOD-YCPHGPKFSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130278771 385234812 /nfs/dbraw/zinc/23/48/12/385234812.db2.gz BEFUOXHITNZUOD-YCPHGPKFSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1cc(C)cc([C@@H](C)N[C@@H](C)CC[NH+](C)C)c1 ZINC000130477687 325056705 /nfs/dbraw/zinc/05/67/05/325056705.db2.gz KHLJBYLZMOEQCP-LSDHHAIUSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)CC[NH+](C)C)c1 ZINC000130477890 325056320 /nfs/dbraw/zinc/05/63/20/325056320.db2.gz KHLJBYLZMOEQCP-GJZGRUSLSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1cc(C)cc([C@@H](C)N[C@H](C)CC[NH+](C)C)c1 ZINC000130478099 325056807 /nfs/dbraw/zinc/05/68/07/325056807.db2.gz KHLJBYLZMOEQCP-HUUCEWRRSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@H](C)CC[NH+](C)C)c1 ZINC000130478315 325056347 /nfs/dbraw/zinc/05/63/47/325056347.db2.gz KHLJBYLZMOEQCP-CABCVRRESA-N 1 3 248.414 3.294 20 0 BGADHO Cc1cccc(C)c1CN(C)CC[C@H]([NH3+])C(C)C ZINC000130899199 358651597 /nfs/dbraw/zinc/65/15/97/358651597.db2.gz AGRIBGCKUGERGF-INIZCTEOSA-N 1 3 248.414 3.109 20 0 BGADHO Cc1cccc(C)c1CN(C)CC[C@@H]([NH3+])C(C)C ZINC000130899412 358651584 /nfs/dbraw/zinc/65/15/84/358651584.db2.gz AGRIBGCKUGERGF-MRXNPFEDSA-N 1 3 248.414 3.109 20 0 BGADHO c1cc(C[NH2+]C2CCCCCC2)cc2c1CNC2 ZINC000131042477 183367694 /nfs/dbraw/zinc/36/76/94/183367694.db2.gz VMNIBHDPGKXJFP-UHFFFAOYSA-N 1 3 244.382 3.102 20 0 BGADHO CCCCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000131052970 591545877 /nfs/dbraw/zinc/54/58/77/591545877.db2.gz OBMMNPGBOPDDEI-CYBMUJFWSA-N 1 3 246.398 3.348 20 0 BGADHO CCCCC[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000131053116 591545833 /nfs/dbraw/zinc/54/58/33/591545833.db2.gz OBMMNPGBOPDDEI-ZDUSSCGKSA-N 1 3 246.398 3.348 20 0 BGADHO [NH3+][C@@H]1C[C@H](NC2CCCCC2)c2ccccc21 ZINC000131865489 591672415 /nfs/dbraw/zinc/67/24/15/591672415.db2.gz WDJFKFWXCJLGSP-CABCVRRESA-N 1 3 230.355 3.054 20 0 BGADHO [NH3+][C@H]1C[C@H](NC2CCCCC2)c2ccccc21 ZINC000131865698 591672971 /nfs/dbraw/zinc/67/29/71/591672971.db2.gz WDJFKFWXCJLGSP-GJZGRUSLSA-N 1 3 230.355 3.054 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NC2CCCCC2)c2ccccc21 ZINC000131865921 591672268 /nfs/dbraw/zinc/67/22/68/591672268.db2.gz WDJFKFWXCJLGSP-HUUCEWRRSA-N 1 3 230.355 3.054 20 0 BGADHO [NH3+][C@H]1C[C@@H](NC2CCCCC2)c2ccccc21 ZINC000131866119 591672124 /nfs/dbraw/zinc/67/21/24/591672124.db2.gz WDJFKFWXCJLGSP-LSDHHAIUSA-N 1 3 230.355 3.054 20 0 BGADHO [NH3+][C@@H]1C[C@H](NC2CCCCCC2)c2ccccc21 ZINC000131925438 591678019 /nfs/dbraw/zinc/67/80/19/591678019.db2.gz URAIIBROMGBBTF-CVEARBPZSA-N 1 3 244.382 3.444 20 0 BGADHO [NH3+][C@H]1C[C@H](NC2CCCCCC2)c2ccccc21 ZINC000131925644 591677810 /nfs/dbraw/zinc/67/78/10/591677810.db2.gz URAIIBROMGBBTF-HOTGVXAUSA-N 1 3 244.382 3.444 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NC2CCCCCC2)c2ccccc21 ZINC000131925830 591677791 /nfs/dbraw/zinc/67/77/91/591677791.db2.gz URAIIBROMGBBTF-HZPDHXFCSA-N 1 3 244.382 3.444 20 0 BGADHO [NH3+][C@H]1C[C@@H](NC2CCCCCC2)c2ccccc21 ZINC000131926040 591677962 /nfs/dbraw/zinc/67/79/62/591677962.db2.gz URAIIBROMGBBTF-JKSUJKDBSA-N 1 3 244.382 3.444 20 0 BGADHO CCCCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131938636 591677685 /nfs/dbraw/zinc/67/76/85/591677685.db2.gz OENJGGSQJXHOKI-LSDHHAIUSA-N 1 3 232.371 3.301 20 0 BGADHO CCCCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131938850 591678085 /nfs/dbraw/zinc/67/80/85/591678085.db2.gz OENJGGSQJXHOKI-GJZGRUSLSA-N 1 3 232.371 3.301 20 0 BGADHO CCCCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000131939065 591678064 /nfs/dbraw/zinc/67/80/64/591678064.db2.gz OENJGGSQJXHOKI-HUUCEWRRSA-N 1 3 232.371 3.301 20 0 BGADHO CCCCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000131939271 591678324 /nfs/dbraw/zinc/67/83/24/591678324.db2.gz OENJGGSQJXHOKI-CABCVRRESA-N 1 3 232.371 3.301 20 0 BGADHO C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000131964687 176145270 /nfs/dbraw/zinc/14/52/70/176145270.db2.gz ADBBLRJGDBCRMM-GUYJKWIASA-N 1 3 244.382 3.300 20 0 BGADHO [NH3+][C@@H]1C[C@H](NCC2CCCCC2)c2ccccc21 ZINC000131966354 386216849 /nfs/dbraw/zinc/21/68/49/386216849.db2.gz KCXWQMIPCKQWFZ-CVEARBPZSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@H]1C[C@H](NCC2CCCCC2)c2ccccc21 ZINC000131966568 386217687 /nfs/dbraw/zinc/21/76/87/386217687.db2.gz KCXWQMIPCKQWFZ-HOTGVXAUSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NCC2CCCCC2)c2ccccc21 ZINC000131966749 386216672 /nfs/dbraw/zinc/21/66/72/386216672.db2.gz KCXWQMIPCKQWFZ-HZPDHXFCSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@H]1C[C@@H](NCC2CCCCC2)c2ccccc21 ZINC000131966943 386216184 /nfs/dbraw/zinc/21/61/84/386216184.db2.gz KCXWQMIPCKQWFZ-JKSUJKDBSA-N 1 3 244.382 3.301 20 0 BGADHO CC(C)C[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131967284 358702713 /nfs/dbraw/zinc/70/27/13/358702713.db2.gz PFTFJCBMTACZJL-TUKIKUTGSA-N 1 3 232.371 3.155 20 0 BGADHO CC(C)C[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131967674 358702846 /nfs/dbraw/zinc/70/28/46/358702846.db2.gz PFTFJCBMTACZJL-CQDKDKBSSA-N 1 3 232.371 3.155 20 0 BGADHO [NH3+][C@@H]1C[C@H](NCCC2CCCC2)c2ccccc21 ZINC000132019062 386219428 /nfs/dbraw/zinc/21/94/28/386219428.db2.gz KPNCUYBFQMFFCO-CVEARBPZSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@H]1C[C@H](NCCC2CCCC2)c2ccccc21 ZINC000132019276 386218680 /nfs/dbraw/zinc/21/86/80/386218680.db2.gz KPNCUYBFQMFFCO-HOTGVXAUSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NCCC2CCCC2)c2ccccc21 ZINC000132019508 386218624 /nfs/dbraw/zinc/21/86/24/386218624.db2.gz KPNCUYBFQMFFCO-HZPDHXFCSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@H]1C[C@@H](NCCC2CCCC2)c2ccccc21 ZINC000132019695 386218971 /nfs/dbraw/zinc/21/89/71/386218971.db2.gz KPNCUYBFQMFFCO-JKSUJKDBSA-N 1 3 244.382 3.301 20 0 BGADHO CC(C)CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132034257 358704286 /nfs/dbraw/zinc/70/42/86/358704286.db2.gz AHOFYHVYIHHQOF-LSDHHAIUSA-N 1 3 232.371 3.157 20 0 BGADHO CC(C)CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132034490 358704303 /nfs/dbraw/zinc/70/43/03/358704303.db2.gz AHOFYHVYIHHQOF-GJZGRUSLSA-N 1 3 232.371 3.157 20 0 BGADHO CC(C)CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132034671 358704673 /nfs/dbraw/zinc/70/46/73/358704673.db2.gz AHOFYHVYIHHQOF-HUUCEWRRSA-N 1 3 232.371 3.157 20 0 BGADHO CC(C)CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132034850 358704646 /nfs/dbraw/zinc/70/46/46/358704646.db2.gz AHOFYHVYIHHQOF-CABCVRRESA-N 1 3 232.371 3.157 20 0 BGADHO CC[C@H](C)[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132050346 358705811 /nfs/dbraw/zinc/70/58/11/358705811.db2.gz FBZZJXQWVMSRHI-LWWSYDQCSA-N 1 3 232.371 3.155 20 0 BGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CC=CCC2)c2ccccc21 ZINC000132076587 591686736 /nfs/dbraw/zinc/68/67/36/591686736.db2.gz YRXIVOAKDHXGMW-MAZHCROVSA-N 1 3 242.366 3.077 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CC=CCC2)c2ccccc21 ZINC000132077019 591686361 /nfs/dbraw/zinc/68/63/61/591686361.db2.gz YRXIVOAKDHXGMW-APHBMKBZSA-N 1 3 242.366 3.077 20 0 BGADHO CCC[C@H](CC)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132083278 358705903 /nfs/dbraw/zinc/70/59/03/358705903.db2.gz GLOISUSCLIEZPJ-TUKIKUTGSA-N 1 3 232.371 3.300 20 0 BGADHO CCC[C@H](CC)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132083680 358705835 /nfs/dbraw/zinc/70/58/35/358705835.db2.gz GLOISUSCLIEZPJ-CQDKDKBSSA-N 1 3 232.371 3.300 20 0 BGADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)c1ccc(C)cc1 ZINC000132104345 591687960 /nfs/dbraw/zinc/68/79/60/591687960.db2.gz GHTZMOGXUYHQSS-ZBFHGGJFSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000132104345 591687958 /nfs/dbraw/zinc/68/79/58/591687958.db2.gz GHTZMOGXUYHQSS-ZBFHGGJFSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H]1CCCNC1)c1ccc(C)cc1 ZINC000132104534 591687512 /nfs/dbraw/zinc/68/75/12/591687512.db2.gz GHTZMOGXUYHQSS-GDBMZVCRSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000132104534 591687506 /nfs/dbraw/zinc/68/75/06/591687506.db2.gz GHTZMOGXUYHQSS-GDBMZVCRSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@H]([NH2+]C[C@H]1CCCNC1)c1ccc(C)cc1 ZINC000132104758 591687816 /nfs/dbraw/zinc/68/78/16/591687816.db2.gz GHTZMOGXUYHQSS-HOCLYGCPSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000132104758 591687814 /nfs/dbraw/zinc/68/78/14/591687814.db2.gz GHTZMOGXUYHQSS-HOCLYGCPSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@@H]([NH2+]C[C@H]1CCCNC1)c1ccc(C)cc1 ZINC000132104949 591687727 /nfs/dbraw/zinc/68/77/27/591687727.db2.gz GHTZMOGXUYHQSS-GOEBONIOSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000132104949 591687723 /nfs/dbraw/zinc/68/77/23/591687723.db2.gz GHTZMOGXUYHQSS-GOEBONIOSA-N 1 3 246.398 3.035 20 0 BGADHO CCC[C@H]([NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000132109606 358708007 /nfs/dbraw/zinc/70/80/07/358708007.db2.gz IGRCGZPNVZYFFU-ZBFHGGJFSA-N 1 3 246.398 3.117 20 0 BGADHO CCC[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132109606 358708002 /nfs/dbraw/zinc/70/80/02/358708002.db2.gz IGRCGZPNVZYFFU-ZBFHGGJFSA-N 1 3 246.398 3.117 20 0 BGADHO CCC[C@@H]([NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000132109833 358708021 /nfs/dbraw/zinc/70/80/21/358708021.db2.gz IGRCGZPNVZYFFU-GDBMZVCRSA-N 1 3 246.398 3.117 20 0 BGADHO CCC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132109833 358708019 /nfs/dbraw/zinc/70/80/19/358708019.db2.gz IGRCGZPNVZYFFU-GDBMZVCRSA-N 1 3 246.398 3.117 20 0 BGADHO CCC[C@H]([NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000132110031 358708103 /nfs/dbraw/zinc/70/81/03/358708103.db2.gz IGRCGZPNVZYFFU-HOCLYGCPSA-N 1 3 246.398 3.117 20 0 BGADHO CCC[C@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132110031 358708100 /nfs/dbraw/zinc/70/81/00/358708100.db2.gz IGRCGZPNVZYFFU-HOCLYGCPSA-N 1 3 246.398 3.117 20 0 BGADHO CCC[C@@H]([NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000132110248 358708138 /nfs/dbraw/zinc/70/81/38/358708138.db2.gz IGRCGZPNVZYFFU-GOEBONIOSA-N 1 3 246.398 3.117 20 0 BGADHO CCC[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132110248 358708137 /nfs/dbraw/zinc/70/81/37/358708137.db2.gz IGRCGZPNVZYFFU-GOEBONIOSA-N 1 3 246.398 3.117 20 0 BGADHO CC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000132112659 168044770 /nfs/dbraw/zinc/04/47/70/168044770.db2.gz OZIJJHHMXQAITR-LSDHHAIUSA-N 1 3 244.382 3.301 20 0 BGADHO CC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000132112841 168047399 /nfs/dbraw/zinc/04/73/99/168047399.db2.gz OZIJJHHMXQAITR-GJZGRUSLSA-N 1 3 244.382 3.301 20 0 BGADHO CC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000132113029 168045453 /nfs/dbraw/zinc/04/54/53/168045453.db2.gz OZIJJHHMXQAITR-HUUCEWRRSA-N 1 3 244.382 3.301 20 0 BGADHO CC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000132113232 168046184 /nfs/dbraw/zinc/04/61/84/168046184.db2.gz OZIJJHHMXQAITR-CABCVRRESA-N 1 3 244.382 3.301 20 0 BGADHO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000132121574 591688986 /nfs/dbraw/zinc/68/89/86/591688986.db2.gz UXOWDKSTMZSVLA-KNXALSJPSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000132121749 386222088 /nfs/dbraw/zinc/22/20/88/386222088.db2.gz UXOWDKSTMZSVLA-XFBWCDHKSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000132121935 591688686 /nfs/dbraw/zinc/68/86/86/591688686.db2.gz UXOWDKSTMZSVLA-UVBJJODRSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000132122127 386221346 /nfs/dbraw/zinc/22/13/46/386221346.db2.gz UXOWDKSTMZSVLA-RLCCDNCMSA-N 1 3 244.382 3.300 20 0 BGADHO CC(C)[C@H](C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132135570 358708926 /nfs/dbraw/zinc/70/89/26/358708926.db2.gz QVVHJELNOIACSH-BYCMXARLSA-N 1 3 232.371 3.013 20 0 BGADHO CC(C)[C@H](C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132135946 358708472 /nfs/dbraw/zinc/70/84/72/358708472.db2.gz QVVHJELNOIACSH-UGFHNGPFSA-N 1 3 232.371 3.013 20 0 BGADHO CC1(C)CCC[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132175934 358709638 /nfs/dbraw/zinc/70/96/38/358709638.db2.gz FXCWNVMIOSMIFJ-ZNMIVQPWSA-N 1 3 244.382 3.300 20 0 BGADHO CC1(C)CCC[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132176380 358709559 /nfs/dbraw/zinc/70/95/59/358709559.db2.gz FXCWNVMIOSMIFJ-KKUMJFAQSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000132196695 591691742 /nfs/dbraw/zinc/69/17/42/591691742.db2.gz UXOWDKSTMZSVLA-IUIKQTSFSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000132196889 176929283 /nfs/dbraw/zinc/92/92/83/176929283.db2.gz UXOWDKSTMZSVLA-XZJROXQQSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000132197139 386227257 /nfs/dbraw/zinc/22/72/57/386227257.db2.gz UXOWDKSTMZSVLA-HFBAOOFYSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000132197327 386227473 /nfs/dbraw/zinc/22/74/73/386227473.db2.gz UXOWDKSTMZSVLA-LYRGGWFBSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000132228727 591694555 /nfs/dbraw/zinc/69/45/55/591694555.db2.gz DVIWNPJFTCNEBB-BYCMXARLSA-N 1 3 246.398 3.403 20 0 BGADHO C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000132229098 591694147 /nfs/dbraw/zinc/69/41/47/591694147.db2.gz DVIWNPJFTCNEBB-UGFHNGPFSA-N 1 3 246.398 3.403 20 0 BGADHO CC[C@@H](c1ccc(Cl)cc1)N(C)CCC[NH3+] ZINC000133225337 411659969 /nfs/dbraw/zinc/65/99/69/411659969.db2.gz AYCZTFXDKOIMFB-ZDUSSCGKSA-N 1 3 240.778 3.072 20 0 BGADHO CC[C@H](c1ccc(Cl)cc1)N(C)CCC[NH3+] ZINC000133225537 411659451 /nfs/dbraw/zinc/65/94/51/411659451.db2.gz AYCZTFXDKOIMFB-CYBMUJFWSA-N 1 3 240.778 3.072 20 0 BGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H](C)c1ccccc1 ZINC000133339258 358751849 /nfs/dbraw/zinc/75/18/49/358751849.db2.gz UICKXNZWIKPIHN-GDBMZVCRSA-N 1 3 248.414 3.095 20 0 BGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H](C)c1ccccc1 ZINC000133339502 358751744 /nfs/dbraw/zinc/75/17/44/358751744.db2.gz UICKXNZWIKPIHN-ZBFHGGJFSA-N 1 3 248.414 3.095 20 0 BGADHO Cc1cccc(CN(C)CC[C@H]([NH3+])C(C)C)c1C ZINC000133401540 358753426 /nfs/dbraw/zinc/75/34/26/358753426.db2.gz UTUCQMSWBWGETO-INIZCTEOSA-N 1 3 248.414 3.109 20 0 BGADHO Cc1cccc(CN(C)CC[C@@H]([NH3+])C(C)C)c1C ZINC000133401739 358753171 /nfs/dbraw/zinc/75/31/71/358753171.db2.gz UTUCQMSWBWGETO-MRXNPFEDSA-N 1 3 248.414 3.109 20 0 BGADHO CC(C)c1ccc([C@@H](C)N(C)CCC[NH3+])cc1 ZINC000133719294 411919512 /nfs/dbraw/zinc/91/95/12/411919512.db2.gz HFKQROLLSILCEO-CYBMUJFWSA-N 1 3 234.387 3.152 20 0 BGADHO CC(C)c1ccc([C@H](C)N(C)CCC[NH3+])cc1 ZINC000133719489 411919129 /nfs/dbraw/zinc/91/91/29/411919129.db2.gz HFKQROLLSILCEO-ZDUSSCGKSA-N 1 3 234.387 3.152 20 0 BGADHO CC(C)CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000134290856 591911333 /nfs/dbraw/zinc/91/13/33/591911333.db2.gz UDGSZBKABDEYLQ-HUUCEWRRSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)CCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000134290856 591911331 /nfs/dbraw/zinc/91/13/31/591911331.db2.gz UDGSZBKABDEYLQ-HUUCEWRRSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)CCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000134290856 591911328 /nfs/dbraw/zinc/91/13/28/591911328.db2.gz UDGSZBKABDEYLQ-HUUCEWRRSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000134290878 591912076 /nfs/dbraw/zinc/91/20/76/591912076.db2.gz UDGSZBKABDEYLQ-LSDHHAIUSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)CCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000134290878 591912073 /nfs/dbraw/zinc/91/20/73/591912073.db2.gz UDGSZBKABDEYLQ-LSDHHAIUSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000134290878 591912071 /nfs/dbraw/zinc/91/20/71/591912071.db2.gz UDGSZBKABDEYLQ-LSDHHAIUSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(CC)[C@H]([NH2+]CCCN)c1ccccc1 ZINC000135287822 487586640 /nfs/dbraw/zinc/58/66/40/487586640.db2.gz OKFOCZIQOWFMIJ-HNNXBMFYSA-N 1 3 234.387 3.102 20 0 BGADHO CCC(CC)[C@H](NCCC[NH3+])c1ccccc1 ZINC000135287822 487586635 /nfs/dbraw/zinc/58/66/35/487586635.db2.gz OKFOCZIQOWFMIJ-HNNXBMFYSA-N 1 3 234.387 3.102 20 0 BGADHO CCC(CC)[C@@H]([NH2+]CCCN)c1ccccc1 ZINC000135287847 487585958 /nfs/dbraw/zinc/58/59/58/487585958.db2.gz OKFOCZIQOWFMIJ-OAHLLOKOSA-N 1 3 234.387 3.102 20 0 BGADHO CCC(CC)[C@@H](NCCC[NH3+])c1ccccc1 ZINC000135287847 487585953 /nfs/dbraw/zinc/58/59/53/487585953.db2.gz OKFOCZIQOWFMIJ-OAHLLOKOSA-N 1 3 234.387 3.102 20 0 BGADHO C[C@@H](CCN)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000136135676 358865412 /nfs/dbraw/zinc/86/54/12/358865412.db2.gz BFAYBNYVTCAVTJ-HSBZDZAISA-N 1 3 240.435 3.166 20 0 BGADHO C[C@H](CCN)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000136135703 358865289 /nfs/dbraw/zinc/86/52/89/358865289.db2.gz BFAYBNYVTCAVTJ-IYXRBSQSSA-N 1 3 240.435 3.166 20 0 BGADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000148448897 179339522 /nfs/dbraw/zinc/33/95/22/179339522.db2.gz XBWOGZBPSBLABO-OFQRWUPVSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000148448897 179339519 /nfs/dbraw/zinc/33/95/19/179339519.db2.gz XBWOGZBPSBLABO-OFQRWUPVSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000148449090 179339835 /nfs/dbraw/zinc/33/98/35/179339835.db2.gz XBWOGZBPSBLABO-DZKIICNBSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000148449090 179339832 /nfs/dbraw/zinc/33/98/32/179339832.db2.gz XBWOGZBPSBLABO-DZKIICNBSA-N 1 3 246.398 3.163 20 0 BGADHO C[C@@H]1CC[C@H](NCCC[NH+](C)C)c2ccccc21 ZINC000149265242 387649477 /nfs/dbraw/zinc/64/94/77/387649477.db2.gz XYXGNJGEWXOJQK-CJNGLKHVSA-N 1 3 246.398 3.166 20 0 BGADHO C[C@H]1CC[C@H](NCCC[NH+](C)C)c2ccccc21 ZINC000149265458 192025746 /nfs/dbraw/zinc/02/57/46/192025746.db2.gz XYXGNJGEWXOJQK-BBRMVZONSA-N 1 3 246.398 3.166 20 0 BGADHO C[C@@H]1CC[C@@H](NCCC[NH+](C)C)c2ccccc21 ZINC000149265672 387650008 /nfs/dbraw/zinc/65/00/08/387650008.db2.gz XYXGNJGEWXOJQK-CZUORRHYSA-N 1 3 246.398 3.166 20 0 BGADHO C[C@H]1CC[C@@H](NCCC[NH+](C)C)c2ccccc21 ZINC000149265891 387649745 /nfs/dbraw/zinc/64/97/45/387649745.db2.gz XYXGNJGEWXOJQK-XJKSGUPXSA-N 1 3 246.398 3.166 20 0 BGADHO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000149312057 346504201 /nfs/dbraw/zinc/50/42/01/346504201.db2.gz NOLONFYJLNVZGA-HZSPNIEDSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000149312463 346503849 /nfs/dbraw/zinc/50/38/49/346503849.db2.gz NOLONFYJLNVZGA-RDBSUJKOSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CCCCC1 ZINC000149353979 136214668 /nfs/dbraw/zinc/21/46/68/136214668.db2.gz BCHCNUQTGMBAKF-AEGPPILISA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CCCCC1 ZINC000149354146 136214666 /nfs/dbraw/zinc/21/46/66/136214666.db2.gz BCHCNUQTGMBAKF-QEJZJMRPSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCCCCC1 ZINC000149883193 487572771 /nfs/dbraw/zinc/57/27/71/487572771.db2.gz FJOBOZAPBGLRAF-AEGPPILISA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCCCCC1 ZINC000149883381 192065950 /nfs/dbraw/zinc/06/59/50/192065950.db2.gz FJOBOZAPBGLRAF-QEJZJMRPSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCCCC1 ZINC000149883582 487572712 /nfs/dbraw/zinc/57/27/12/487572712.db2.gz FJOBOZAPBGLRAF-NWANDNLSSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCCCCC1 ZINC000149883778 487572747 /nfs/dbraw/zinc/57/27/47/487572747.db2.gz FJOBOZAPBGLRAF-CFVMTHIKSA-N 1 3 238.419 3.205 20 0 BGADHO CC(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000150918772 323002894 /nfs/dbraw/zinc/00/28/94/323002894.db2.gz OYWBAUULFIDTSU-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000151029500 323040194 /nfs/dbraw/zinc/04/01/94/323040194.db2.gz PYDPILSGVHDUNQ-UHFFFAOYSA-N 1 3 238.419 3.173 20 0 BGADHO CC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000152152978 323130849 /nfs/dbraw/zinc/13/08/49/323130849.db2.gz WJNLKZFAJIFVFI-CYBMUJFWSA-N 1 3 238.419 3.172 20 0 BGADHO CC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000152153038 323130788 /nfs/dbraw/zinc/13/07/88/323130788.db2.gz WJNLKZFAJIFVFI-ZDUSSCGKSA-N 1 3 238.419 3.172 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[NH+](C)C ZINC000152545261 324180539 /nfs/dbraw/zinc/18/05/39/324180539.db2.gz MVEMMHOXGYDTIH-HIFRSBDPSA-N 1 3 246.398 3.085 20 0 BGADHO Cc1cccc2c1[C@@H](C)C[C@@H]2NCCC[NH+](C)C ZINC000152545367 324180434 /nfs/dbraw/zinc/18/04/34/324180434.db2.gz MVEMMHOXGYDTIH-ZFWWWQNUSA-N 1 3 246.398 3.085 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[NH+](C)C ZINC000152545462 324180781 /nfs/dbraw/zinc/18/07/81/324180781.db2.gz MVEMMHOXGYDTIH-UKRRQHHQSA-N 1 3 246.398 3.085 20 0 BGADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCCC[NH+](C)C ZINC000152545564 324180419 /nfs/dbraw/zinc/18/04/19/324180419.db2.gz MVEMMHOXGYDTIH-DZGCQCFKSA-N 1 3 246.398 3.085 20 0 BGADHO CCC(CC)C[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000153894063 201251796 /nfs/dbraw/zinc/25/17/96/201251796.db2.gz PJOVVVIDHMCMRR-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCC(CC)C[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000153894063 201251794 /nfs/dbraw/zinc/25/17/94/201251794.db2.gz PJOVVVIDHMCMRR-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCC(CC)C[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000153894176 201253570 /nfs/dbraw/zinc/25/35/70/201253570.db2.gz PJOVVVIDHMCMRR-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCC(CC)C[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000153894176 201253567 /nfs/dbraw/zinc/25/35/67/201253567.db2.gz PJOVVVIDHMCMRR-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC000153894301 201250651 /nfs/dbraw/zinc/25/06/51/201250651.db2.gz GVWVPJQLQKWIFH-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC000153894301 201250647 /nfs/dbraw/zinc/25/06/47/201250647.db2.gz GVWVPJQLQKWIFH-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC000153894414 201253797 /nfs/dbraw/zinc/25/37/97/201253797.db2.gz GVWVPJQLQKWIFH-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC000153894414 201253793 /nfs/dbraw/zinc/25/37/93/201253793.db2.gz GVWVPJQLQKWIFH-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CC(C)CN1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000155498694 201336877 /nfs/dbraw/zinc/33/68/77/201336877.db2.gz WKMJMANOTRMGMD-UHFFFAOYSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)[NH+](CCCN[C@@H](C)C1(C)CC1)C(C)C ZINC000155837178 345108129 /nfs/dbraw/zinc/10/81/29/345108129.db2.gz KRQSLMCAPGOLCP-AWEZNQCLSA-N 1 3 240.435 3.274 20 0 BGADHO CC(C)[NH+](CCCN[C@H](C)C1(C)CC1)C(C)C ZINC000155837285 345108303 /nfs/dbraw/zinc/10/83/03/345108303.db2.gz KRQSLMCAPGOLCP-CQSZACIVSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@H]([NH2+]CCCN(C(C)C)C(C)C)C1CC1 ZINC000155840787 345108389 /nfs/dbraw/zinc/10/83/89/345108389.db2.gz YDAVTTWKESWHFZ-HNNXBMFYSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@@H]([NH2+]CCCN(C(C)C)C(C)C)C1CC1 ZINC000155840858 345108641 /nfs/dbraw/zinc/10/86/41/345108641.db2.gz YDAVTTWKESWHFZ-OAHLLOKOSA-N 1 3 240.435 3.274 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156168383 345130746 /nfs/dbraw/zinc/13/07/46/345130746.db2.gz NUCIHXDNNGLFKA-IJEWVQPXSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156168383 345130744 /nfs/dbraw/zinc/13/07/44/345130744.db2.gz NUCIHXDNNGLFKA-IJEWVQPXSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156168516 345130771 /nfs/dbraw/zinc/13/07/71/345130771.db2.gz NUCIHXDNNGLFKA-YCPHGPKFSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156168516 345130770 /nfs/dbraw/zinc/13/07/70/345130770.db2.gz NUCIHXDNNGLFKA-YCPHGPKFSA-N 1 3 246.398 3.128 20 0 BGADHO CCCCN1CCC[C@H]([N@@H+](C)CCCC)CC1 ZINC000156945367 323068087 /nfs/dbraw/zinc/06/80/87/323068087.db2.gz HLYKLARKPWKKJA-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CCCCN1CCC[C@H]([N@H+](C)CCCC)CC1 ZINC000156945367 323068086 /nfs/dbraw/zinc/06/80/86/323068086.db2.gz HLYKLARKPWKKJA-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CCCCN1CCC[C@@H]([N@@H+](C)CCCC)CC1 ZINC000156945531 326250151 /nfs/dbraw/zinc/25/01/51/326250151.db2.gz HLYKLARKPWKKJA-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CCCCN1CCC[C@@H]([N@H+](C)CCCC)CC1 ZINC000156945531 326250149 /nfs/dbraw/zinc/25/01/49/326250149.db2.gz HLYKLARKPWKKJA-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CC(C)CN1CCC[C@H]([N@@H+](C)CC(C)C)CC1 ZINC000156963002 538805715 /nfs/dbraw/zinc/80/57/15/538805715.db2.gz MGVZOIVBZKMGJR-HNNXBMFYSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)CN1CCC[C@H]([N@H+](C)CC(C)C)CC1 ZINC000156963002 538805712 /nfs/dbraw/zinc/80/57/12/538805712.db2.gz MGVZOIVBZKMGJR-HNNXBMFYSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)CN1CCC[C@@H]([N@@H+](C)CC(C)C)CC1 ZINC000156963161 538805422 /nfs/dbraw/zinc/80/54/22/538805422.db2.gz MGVZOIVBZKMGJR-OAHLLOKOSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)CN1CCC[C@@H]([N@H+](C)CC(C)C)CC1 ZINC000156963161 538805415 /nfs/dbraw/zinc/80/54/15/538805415.db2.gz MGVZOIVBZKMGJR-OAHLLOKOSA-N 1 3 240.435 3.085 20 0 BGADHO CCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157150637 345247229 /nfs/dbraw/zinc/24/72/29/345247229.db2.gz MHUPEFZZUYWHRF-HNNXBMFYSA-N 1 3 238.419 3.127 20 0 BGADHO CCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157150789 345247233 /nfs/dbraw/zinc/24/72/33/345247233.db2.gz MHUPEFZZUYWHRF-OAHLLOKOSA-N 1 3 238.419 3.127 20 0 BGADHO C(CN1CCCCCC1)C[NH+]1CCCCCC1 ZINC000157305196 326267079 /nfs/dbraw/zinc/26/70/79/326267079.db2.gz RDSIFEAKLDTQGX-UHFFFAOYSA-N 1 3 238.419 3.129 20 0 BGADHO CC(C)N(CCC[N@@H+](C(C)C)C1CC1)C1CC1 ZINC000157530055 323069764 /nfs/dbraw/zinc/06/97/64/323069764.db2.gz ZZQDXONXRPNQDH-UHFFFAOYSA-N 1 3 238.419 3.122 20 0 BGADHO CC(C)N(CCC[N@H+](C(C)C)C1CC1)C1CC1 ZINC000157530055 323069763 /nfs/dbraw/zinc/06/97/63/323069763.db2.gz ZZQDXONXRPNQDH-UHFFFAOYSA-N 1 3 238.419 3.122 20 0 BGADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000160173153 388050426 /nfs/dbraw/zinc/05/04/26/388050426.db2.gz GLEOTLFBBYAJJA-NUEKZKHPSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000160173153 388050423 /nfs/dbraw/zinc/05/04/23/388050423.db2.gz GLEOTLFBBYAJJA-NUEKZKHPSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000160173272 388050370 /nfs/dbraw/zinc/05/03/70/388050370.db2.gz GLEOTLFBBYAJJA-IMJJTQAJSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000160173272 388050368 /nfs/dbraw/zinc/05/03/68/388050368.db2.gz GLEOTLFBBYAJJA-IMJJTQAJSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000160173359 386016963 /nfs/dbraw/zinc/01/69/63/386016963.db2.gz GLEOTLFBBYAJJA-CWRNSKLLSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000160173359 386016953 /nfs/dbraw/zinc/01/69/53/386016953.db2.gz GLEOTLFBBYAJJA-CWRNSKLLSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000160173466 388050434 /nfs/dbraw/zinc/05/04/34/388050434.db2.gz GLEOTLFBBYAJJA-BPUTZDHNSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000160173466 388050432 /nfs/dbraw/zinc/05/04/32/388050432.db2.gz GLEOTLFBBYAJJA-BPUTZDHNSA-N 1 3 246.398 3.163 20 0 BGADHO C(CNC1CC1)C[NH2+]CCC1CCCCCC1 ZINC000161999380 349532351 /nfs/dbraw/zinc/53/23/51/349532351.db2.gz XVIWQZUILQWMGO-UHFFFAOYSA-N 1 3 238.419 3.079 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000163312134 350517288 /nfs/dbraw/zinc/51/72/88/350517288.db2.gz RBTBCGZQKSZIHY-ILXRZTDVSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000163312268 350517063 /nfs/dbraw/zinc/51/70/63/350517063.db2.gz RBTBCGZQKSZIHY-KKUMJFAQSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000163312393 350516675 /nfs/dbraw/zinc/51/66/75/350516675.db2.gz RBTBCGZQKSZIHY-QLFBSQMISA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000163312504 350517173 /nfs/dbraw/zinc/51/71/73/350517173.db2.gz RBTBCGZQKSZIHY-SOUVJXGZSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H](c1ccccc1)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163468876 385074619 /nfs/dbraw/zinc/07/46/19/385074619.db2.gz KFKFAUKMKJHFMI-NUEKZKHPSA-N 1 3 246.398 3.054 20 0 BGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000163468876 385074615 /nfs/dbraw/zinc/07/46/15/385074615.db2.gz KFKFAUKMKJHFMI-NUEKZKHPSA-N 1 3 246.398 3.054 20 0 BGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000163468876 385074610 /nfs/dbraw/zinc/07/46/10/385074610.db2.gz KFKFAUKMKJHFMI-NUEKZKHPSA-N 1 3 246.398 3.054 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1CCCCCC1 ZINC000163631498 350612756 /nfs/dbraw/zinc/61/27/56/350612756.db2.gz MQSNHBBWIYAPDQ-UHFFFAOYSA-N 1 3 226.408 3.029 20 0 BGADHO CC(C)[NH+](CCCNCC(C)(C)C)C(C)C ZINC000165108521 538934649 /nfs/dbraw/zinc/93/46/49/538934649.db2.gz HQJUMFRLHJNAIT-UHFFFAOYSA-N 1 3 228.424 3.131 20 0 BGADHO CC(C)CCC[NH2+]CCCN1CCCC[C@H]1C ZINC000165180220 353195571 /nfs/dbraw/zinc/19/55/71/353195571.db2.gz QGSLEQVVAZYHEO-OAHLLOKOSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)CCC[NH2+]CCCN1CCCC[C@@H]1C ZINC000165180335 353195143 /nfs/dbraw/zinc/19/51/43/353195143.db2.gz QGSLEQVVAZYHEO-HNNXBMFYSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC(CCC)[NH2+]CCCN(C)C(C)C ZINC000165255433 385093338 /nfs/dbraw/zinc/09/33/38/385093338.db2.gz BORHMKYVTHLCQE-UHFFFAOYSA-N 1 3 228.424 3.275 20 0 BGADHO CCCCC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000166560607 633117593 /nfs/dbraw/zinc/11/75/93/633117593.db2.gz SXCJOSRURBRAGZ-CQSZACIVSA-N 1 3 228.424 3.275 20 0 BGADHO CCCCC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000166560709 633117975 /nfs/dbraw/zinc/11/79/75/633117975.db2.gz SXCJOSRURBRAGZ-AWEZNQCLSA-N 1 3 228.424 3.275 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000166564928 355693440 /nfs/dbraw/zinc/69/34/40/355693440.db2.gz GWOBIXXTYJWTKD-CQSZACIVSA-N 1 3 228.424 3.131 20 0 BGADHO CC(C)CC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000166565053 355693557 /nfs/dbraw/zinc/69/35/57/355693557.db2.gz GWOBIXXTYJWTKD-AWEZNQCLSA-N 1 3 228.424 3.131 20 0 BGADHO CCCC[C@@H](CC)[NH2+]CCCN(C)C(C)C ZINC000166567667 388254776 /nfs/dbraw/zinc/25/47/76/388254776.db2.gz SCDSSYYIHYUSNQ-CQSZACIVSA-N 1 3 228.424 3.275 20 0 BGADHO CCCC[C@H](CC)[NH2+]CCCN(C)C(C)C ZINC000166567784 388254782 /nfs/dbraw/zinc/25/47/82/388254782.db2.gz SCDSSYYIHYUSNQ-AWEZNQCLSA-N 1 3 228.424 3.275 20 0 BGADHO CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000171296042 372530961 /nfs/dbraw/zinc/53/09/61/372530961.db2.gz KZUFWQUJCDSARZ-INIZCTEOSA-N 1 3 246.398 3.164 20 0 BGADHO CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000171296047 372532287 /nfs/dbraw/zinc/53/22/87/372532287.db2.gz KZUFWQUJCDSARZ-MRXNPFEDSA-N 1 3 246.398 3.164 20 0 BGADHO CN(CCC[N@@H+](C)C1CCCC1)C1CCCC1 ZINC000172648414 529885471 /nfs/dbraw/zinc/88/54/71/529885471.db2.gz FNIWNLPKGMCFOH-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CN(CCC[N@H+](C)C1CCCC1)C1CCCC1 ZINC000172648414 529885470 /nfs/dbraw/zinc/88/54/70/529885470.db2.gz FNIWNLPKGMCFOH-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO Cc1cccc([C@@H](C)[NH+]2CCC(N(C)C)CC2)c1 ZINC000173522160 365427219 /nfs/dbraw/zinc/42/72/19/365427219.db2.gz IIFAVRDWUQRWFM-CQSZACIVSA-N 1 3 246.398 3.082 20 0 BGADHO Cc1cccc([C@H](C)[NH+]2CCC(N(C)C)CC2)c1 ZINC000173522173 365427408 /nfs/dbraw/zinc/42/74/08/365427408.db2.gz IIFAVRDWUQRWFM-AWEZNQCLSA-N 1 3 246.398 3.082 20 0 BGADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000173915458 384736354 /nfs/dbraw/zinc/73/63/54/384736354.db2.gz OLGYLDWZEDUOGM-GJZGRUSLSA-N 1 3 246.398 3.021 20 0 BGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000173915458 384736344 /nfs/dbraw/zinc/73/63/44/384736344.db2.gz OLGYLDWZEDUOGM-GJZGRUSLSA-N 1 3 246.398 3.021 20 0 BGADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000173915475 384735349 /nfs/dbraw/zinc/73/53/49/384735349.db2.gz OLGYLDWZEDUOGM-LSDHHAIUSA-N 1 3 246.398 3.021 20 0 BGADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000173915475 384735347 /nfs/dbraw/zinc/73/53/47/384735347.db2.gz OLGYLDWZEDUOGM-LSDHHAIUSA-N 1 3 246.398 3.021 20 0 BGADHO CCCCCCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000174212584 641256657 /nfs/dbraw/zinc/25/66/57/641256657.db2.gz TWXIAXSYIQEUIF-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CCCCCCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174212596 641257287 /nfs/dbraw/zinc/25/72/87/641257287.db2.gz TWXIAXSYIQEUIF-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO CC[NH+](CC)C[C@@H]1CCN(CCC(C)(C)C)C1 ZINC000174221731 365477064 /nfs/dbraw/zinc/47/70/64/365477064.db2.gz XPILYWQKPWGUDV-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000174221731 365477058 /nfs/dbraw/zinc/47/70/58/365477058.db2.gz XPILYWQKPWGUDV-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000174221731 365477054 /nfs/dbraw/zinc/47/70/54/365477054.db2.gz XPILYWQKPWGUDV-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CC[NH+](CC)C[C@H]1CCN(CCC(C)(C)C)C1 ZINC000174221742 365474952 /nfs/dbraw/zinc/47/49/52/365474952.db2.gz XPILYWQKPWGUDV-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)C[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000174221742 365474947 /nfs/dbraw/zinc/47/49/47/365474947.db2.gz XPILYWQKPWGUDV-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)C[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000174221742 365474940 /nfs/dbraw/zinc/47/49/40/365474940.db2.gz XPILYWQKPWGUDV-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000176283405 365706896 /nfs/dbraw/zinc/70/68/96/365706896.db2.gz MMIGBFYHCGUFNC-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000176283405 365706890 /nfs/dbraw/zinc/70/68/90/365706890.db2.gz MMIGBFYHCGUFNC-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000176283424 365706480 /nfs/dbraw/zinc/70/64/80/365706480.db2.gz MMIGBFYHCGUFNC-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000176283424 365706478 /nfs/dbraw/zinc/70/64/78/365706478.db2.gz MMIGBFYHCGUFNC-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCCCCCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000176283544 631656977 /nfs/dbraw/zinc/65/69/77/631656977.db2.gz RTIBYMHSSBTSKB-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CCCCCCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000176283544 631656975 /nfs/dbraw/zinc/65/69/75/631656975.db2.gz RTIBYMHSSBTSKB-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CCCCCCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000176283566 631657424 /nfs/dbraw/zinc/65/74/24/631657424.db2.gz RTIBYMHSSBTSKB-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO CCCCCCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000176283566 631657419 /nfs/dbraw/zinc/65/74/19/631657419.db2.gz RTIBYMHSSBTSKB-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCC1 ZINC000177732930 385278801 /nfs/dbraw/zinc/27/88/01/385278801.db2.gz CVSCWTJVAMPLBD-ZDUSSCGKSA-N 1 3 246.398 3.026 20 0 BGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCC1 ZINC000177732942 175899484 /nfs/dbraw/zinc/89/94/84/175899484.db2.gz CVSCWTJVAMPLBD-CYBMUJFWSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159533 134306845 /nfs/dbraw/zinc/30/68/45/134306845.db2.gz APGPFVBEFHOXTJ-CYBMUJFWSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159548 134306868 /nfs/dbraw/zinc/30/68/68/134306868.db2.gz APGPFVBEFHOXTJ-ZDUSSCGKSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCC1 ZINC000178371073 134309279 /nfs/dbraw/zinc/30/92/79/134309279.db2.gz ZPPGMHUZVGXWFR-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCC1 ZINC000178371086 134309251 /nfs/dbraw/zinc/30/92/51/134309251.db2.gz ZPPGMHUZVGXWFR-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCC1 ZINC000178382305 346954260 /nfs/dbraw/zinc/95/42/60/346954260.db2.gz BOWPXFDOTAJRKP-ZDUSSCGKSA-N 1 3 246.398 3.026 20 0 BGADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCC1 ZINC000178382317 366119528 /nfs/dbraw/zinc/11/95/28/366119528.db2.gz BOWPXFDOTAJRKP-CYBMUJFWSA-N 1 3 246.398 3.026 20 0 BGADHO C[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000178440341 176019925 /nfs/dbraw/zinc/01/99/25/176019925.db2.gz ZBBQUOMOTHOHQM-HOCLYGCPSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000178440341 176019924 /nfs/dbraw/zinc/01/99/24/176019924.db2.gz ZBBQUOMOTHOHQM-HOCLYGCPSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000178440352 177037502 /nfs/dbraw/zinc/03/75/02/177037502.db2.gz ZBBQUOMOTHOHQM-ZBFHGGJFSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@H](c1ccccc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000178440352 177037501 /nfs/dbraw/zinc/03/75/01/177037501.db2.gz ZBBQUOMOTHOHQM-ZBFHGGJFSA-N 1 3 246.398 3.164 20 0 BGADHO CCC[C@@H](C)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000180486611 366479668 /nfs/dbraw/zinc/47/96/68/366479668.db2.gz NESIBXSKTGKYLN-HUUCEWRRSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H](C)C[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000180486611 366479662 /nfs/dbraw/zinc/47/96/62/366479662.db2.gz NESIBXSKTGKYLN-HUUCEWRRSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H](C)C[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000180486611 366479656 /nfs/dbraw/zinc/47/96/56/366479656.db2.gz NESIBXSKTGKYLN-HUUCEWRRSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000180486628 366480562 /nfs/dbraw/zinc/48/05/62/366480562.db2.gz NESIBXSKTGKYLN-LSDHHAIUSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)C[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000180486628 366480557 /nfs/dbraw/zinc/48/05/57/366480557.db2.gz NESIBXSKTGKYLN-LSDHHAIUSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)C[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000180486628 366480553 /nfs/dbraw/zinc/48/05/53/366480553.db2.gz NESIBXSKTGKYLN-LSDHHAIUSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H](C)C[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000180524232 366493991 /nfs/dbraw/zinc/49/39/91/366493991.db2.gz DJFZZWUKLHQYKI-HUUCEWRRSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H](C)C[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000180524232 366493985 /nfs/dbraw/zinc/49/39/85/366493985.db2.gz DJFZZWUKLHQYKI-HUUCEWRRSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)C[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000180524255 366494083 /nfs/dbraw/zinc/49/40/83/366494083.db2.gz DJFZZWUKLHQYKI-LSDHHAIUSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)C[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000180524255 366494079 /nfs/dbraw/zinc/49/40/79/366494079.db2.gz DJFZZWUKLHQYKI-LSDHHAIUSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H](CC)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000181414244 385407688 /nfs/dbraw/zinc/40/76/88/385407688.db2.gz XJVAJLDETKNEBL-GFCCVEGCSA-N 1 3 240.435 3.464 20 0 BGADHO CCC[C@H](CC)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000181414267 385407717 /nfs/dbraw/zinc/40/77/17/385407717.db2.gz XJVAJLDETKNEBL-LBPRGKRZSA-N 1 3 240.435 3.464 20 0 BGADHO Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000181565221 385349636 /nfs/dbraw/zinc/34/96/36/385349636.db2.gz OIMBUVDLFQOUMZ-CABCVRRESA-N 1 3 246.398 3.130 20 0 BGADHO Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000181565251 385349458 /nfs/dbraw/zinc/34/94/58/385349458.db2.gz OIMBUVDLFQOUMZ-HUUCEWRRSA-N 1 3 246.398 3.130 20 0 BGADHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000182352923 385662545 /nfs/dbraw/zinc/66/25/45/385662545.db2.gz SJFOIYICEJOIMX-ZBFHGGJFSA-N 1 3 246.398 3.130 20 0 BGADHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000182352944 385661160 /nfs/dbraw/zinc/66/11/60/385661160.db2.gz SJFOIYICEJOIMX-HOCLYGCPSA-N 1 3 246.398 3.130 20 0 BGADHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000182352960 385661520 /nfs/dbraw/zinc/66/15/20/385661520.db2.gz SJFOIYICEJOIMX-GDBMZVCRSA-N 1 3 246.398 3.130 20 0 BGADHO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000182352979 385663001 /nfs/dbraw/zinc/66/30/01/385663001.db2.gz SJFOIYICEJOIMX-GOEBONIOSA-N 1 3 246.398 3.130 20 0 BGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CCCCC1 ZINC000182684956 386761499 /nfs/dbraw/zinc/76/14/99/386761499.db2.gz CELTVXBDRCOFPO-ZFWWWQNUSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CCCCC1 ZINC000182684974 386760980 /nfs/dbraw/zinc/76/09/80/386760980.db2.gz CELTVXBDRCOFPO-HIFRSBDPSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)C1CCCCC1 ZINC000182684991 386759430 /nfs/dbraw/zinc/75/94/30/386759430.db2.gz CELTVXBDRCOFPO-DZGCQCFKSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CCCCC1 ZINC000182685006 386761469 /nfs/dbraw/zinc/76/14/69/386761469.db2.gz CELTVXBDRCOFPO-UKRRQHHQSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183186412 398088780 /nfs/dbraw/zinc/08/87/80/398088780.db2.gz JIAKWJSINPFRPA-MELADBBJSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183186455 398088640 /nfs/dbraw/zinc/08/86/40/398088640.db2.gz JIAKWJSINPFRPA-BFHYXJOUSA-N 1 3 238.419 3.028 20 0 BGADHO CCCC[C@@H](CC)CN1CCC([NH+](C)C)CC1 ZINC000183596855 538967030 /nfs/dbraw/zinc/96/70/30/538967030.db2.gz UUSYIFOPKIVRBH-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CCCC[C@H](CC)CN1CCC([NH+](C)C)CC1 ZINC000183596873 538966822 /nfs/dbraw/zinc/96/68/22/538966822.db2.gz UUSYIFOPKIVRBH-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000184494209 347164020 /nfs/dbraw/zinc/16/40/20/347164020.db2.gz VJIOJCNPKKLRID-RRFJBIMHSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000184494246 367081518 /nfs/dbraw/zinc/08/15/18/367081518.db2.gz VJIOJCNPKKLRID-ZNMIVQPWSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H](CC[NH2+][C@@H](C)C1(C)CC1)N1CCCCC1 ZINC000184502720 367081029 /nfs/dbraw/zinc/08/10/29/367081029.db2.gz CBLYJNLFVGARCU-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CC[NH2+][C@@H](C)C1(C)CC1)N1CCCCC1 ZINC000184502741 367081639 /nfs/dbraw/zinc/08/16/39/367081639.db2.gz CBLYJNLFVGARCU-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1(C)CC1 ZINC000184502756 367081582 /nfs/dbraw/zinc/08/15/82/367081582.db2.gz CBLYJNLFVGARCU-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CC[NH2+][C@H](C)C1(C)CC1)N1CCCCC1 ZINC000184502773 347165197 /nfs/dbraw/zinc/16/51/97/347165197.db2.gz CBLYJNLFVGARCU-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C(C)C ZINC000184508443 367081364 /nfs/dbraw/zinc/08/13/64/367081364.db2.gz AVBVMYBCAVJSSJ-CABCVRRESA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C(C)C ZINC000184508461 367081691 /nfs/dbraw/zinc/08/16/91/367081691.db2.gz AVBVMYBCAVJSSJ-HUUCEWRRSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C(C)C ZINC000184508481 367080821 /nfs/dbraw/zinc/08/08/21/367080821.db2.gz AVBVMYBCAVJSSJ-GJZGRUSLSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C(C)C ZINC000184508497 367081211 /nfs/dbraw/zinc/08/12/11/367081211.db2.gz AVBVMYBCAVJSSJ-LSDHHAIUSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H](CC[NH2+][C@@H](C)C(C)(C)C)N1CCCCC1 ZINC000184510670 367081205 /nfs/dbraw/zinc/08/12/05/367081205.db2.gz CIQAPDAILKOIGM-KBPBESRZSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@H](CC[NH2+][C@@H](C)C(C)(C)C)N1CCCCC1 ZINC000184510688 367081196 /nfs/dbraw/zinc/08/11/96/367081196.db2.gz CIQAPDAILKOIGM-KGLIPLIRSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C(C)(C)C ZINC000184510706 367081657 /nfs/dbraw/zinc/08/16/57/367081657.db2.gz CIQAPDAILKOIGM-UONOGXRCSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@H](CC[NH2+][C@H](C)C(C)(C)C)N1CCCCC1 ZINC000184510723 367081424 /nfs/dbraw/zinc/08/14/24/367081424.db2.gz CIQAPDAILKOIGM-ZIAGYGMSSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H](CC[NH2+][C@@H](C)C1CCC1)N1CCCCC1 ZINC000184512449 347165221 /nfs/dbraw/zinc/16/52/21/347165221.db2.gz SRKPUGVMMJESSE-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CC[NH2+][C@@H](C)C1CCC1)N1CCCCC1 ZINC000184512464 367081387 /nfs/dbraw/zinc/08/13/87/367081387.db2.gz SRKPUGVMMJESSE-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCC1 ZINC000184512480 367081132 /nfs/dbraw/zinc/08/11/32/367081132.db2.gz SRKPUGVMMJESSE-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CC[NH2+][C@H](C)C1CCC1)N1CCCCC1 ZINC000184512501 367081559 /nfs/dbraw/zinc/08/15/59/367081559.db2.gz SRKPUGVMMJESSE-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CC/C=C/CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000184580805 388578913 /nfs/dbraw/zinc/57/89/13/388578913.db2.gz KXMJVWBMKGAQLQ-NFAHFFEMSA-N 1 3 238.419 3.149 20 0 BGADHO CC/C=C/CCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000184580805 388578911 /nfs/dbraw/zinc/57/89/11/388578911.db2.gz KXMJVWBMKGAQLQ-NFAHFFEMSA-N 1 3 238.419 3.149 20 0 BGADHO CC/C=C/CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000184580824 388579426 /nfs/dbraw/zinc/57/94/26/388579426.db2.gz KXMJVWBMKGAQLQ-LLYBFZRZSA-N 1 3 238.419 3.149 20 0 BGADHO CC/C=C/CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000184580824 388579423 /nfs/dbraw/zinc/57/94/23/388579423.db2.gz KXMJVWBMKGAQLQ-LLYBFZRZSA-N 1 3 238.419 3.149 20 0 BGADHO CC/C=C/CC[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000184587463 388579713 /nfs/dbraw/zinc/57/97/13/388579713.db2.gz YOODLCUESNXKOC-MVGZEHJDSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CC[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000184587463 388579710 /nfs/dbraw/zinc/57/97/10/388579710.db2.gz YOODLCUESNXKOC-MVGZEHJDSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000184587463 388579708 /nfs/dbraw/zinc/57/97/08/388579708.db2.gz YOODLCUESNXKOC-MVGZEHJDSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CC[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000184587482 388579007 /nfs/dbraw/zinc/57/90/07/388579007.db2.gz YOODLCUESNXKOC-KIUWMYQTSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CC[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000184587482 388579005 /nfs/dbraw/zinc/57/90/05/388579005.db2.gz YOODLCUESNXKOC-KIUWMYQTSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000184587482 388579003 /nfs/dbraw/zinc/57/90/03/388579003.db2.gz YOODLCUESNXKOC-KIUWMYQTSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CC[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000184597201 384624056 /nfs/dbraw/zinc/62/40/56/384624056.db2.gz BQIKJUJIWPPYTG-LFAOLKIESA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CC[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000184597201 384624051 /nfs/dbraw/zinc/62/40/51/384624051.db2.gz BQIKJUJIWPPYTG-LFAOLKIESA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000184597201 384624047 /nfs/dbraw/zinc/62/40/47/384624047.db2.gz BQIKJUJIWPPYTG-LFAOLKIESA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000184597201 384624041 /nfs/dbraw/zinc/62/40/41/384624041.db2.gz BQIKJUJIWPPYTG-LFAOLKIESA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CC[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000184597216 388579289 /nfs/dbraw/zinc/57/92/89/388579289.db2.gz BQIKJUJIWPPYTG-LQYUOIDQSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CC[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000184597216 388579288 /nfs/dbraw/zinc/57/92/88/388579288.db2.gz BQIKJUJIWPPYTG-LQYUOIDQSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000184597216 388579287 /nfs/dbraw/zinc/57/92/87/388579287.db2.gz BQIKJUJIWPPYTG-LQYUOIDQSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C/CCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000184597216 388579284 /nfs/dbraw/zinc/57/92/84/388579284.db2.gz BQIKJUJIWPPYTG-LQYUOIDQSA-N 1 3 238.419 3.006 20 0 BGADHO CC(C)(CCN1CCCCCC1)[NH2+]CC1CC1 ZINC000185159831 535027123 /nfs/dbraw/zinc/02/71/23/535027123.db2.gz RDWMFAMIZPFTSQ-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185666448 367140859 /nfs/dbraw/zinc/14/08/59/367140859.db2.gz GGHRWWZZFGKWID-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185666468 367140971 /nfs/dbraw/zinc/14/09/71/367140971.db2.gz GGHRWWZZFGKWID-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185666487 367140382 /nfs/dbraw/zinc/14/03/82/367140382.db2.gz GGHRWWZZFGKWID-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185666501 367140936 /nfs/dbraw/zinc/14/09/36/367140936.db2.gz GGHRWWZZFGKWID-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000186374813 388598871 /nfs/dbraw/zinc/59/88/71/388598871.db2.gz IMVKSYSXGHHHME-YUELXQCFSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000186374848 388598977 /nfs/dbraw/zinc/59/89/77/388598977.db2.gz IMVKSYSXGHHHME-SNPRPXQTSA-N 1 3 238.419 3.028 20 0 BGADHO CC(C)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC000187865751 411493681 /nfs/dbraw/zinc/49/36/81/411493681.db2.gz FTBAAAFMTIAIFR-CQSZACIVSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC000187865779 411494045 /nfs/dbraw/zinc/49/40/45/411494045.db2.gz FTBAAAFMTIAIFR-AWEZNQCLSA-N 1 3 240.435 3.133 20 0 BGADHO CN(C)Cc1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000188244717 205829483 /nfs/dbraw/zinc/82/94/83/205829483.db2.gz JQQYVSRIRQBTTK-UHFFFAOYSA-N 1 3 248.414 3.274 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189032575 357600677 /nfs/dbraw/zinc/60/06/77/357600677.db2.gz UAGYCJIUSYTAKY-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000189032594 357600764 /nfs/dbraw/zinc/60/07/64/357600764.db2.gz UAGYCJIUSYTAKY-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO CC[NH+](CC)CCCN(C1CC1)C1CCCC1 ZINC000191788251 361358243 /nfs/dbraw/zinc/35/82/43/361358243.db2.gz XBOHCXOBSBXECT-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CCN(CC)CCC[N@@H+](C1CC1)C1CCCC1 ZINC000191788251 361358236 /nfs/dbraw/zinc/35/82/36/361358236.db2.gz XBOHCXOBSBXECT-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CCN(CC)CCC[N@H+](C1CC1)C1CCCC1 ZINC000191788251 361358229 /nfs/dbraw/zinc/35/82/29/361358229.db2.gz XBOHCXOBSBXECT-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@@H]1CCCC[N@H+]1CCNc1ccncc1C ZINC000192593811 357845051 /nfs/dbraw/zinc/84/50/51/357845051.db2.gz GFVAULHZKHHQCI-CQSZACIVSA-N 1 3 247.386 3.066 20 0 BGADHO CC[C@@H]1CCCC[N@@H+]1CCNc1ccncc1C ZINC000192593811 357845048 /nfs/dbraw/zinc/84/50/48/357845048.db2.gz GFVAULHZKHHQCI-CQSZACIVSA-N 1 3 247.386 3.066 20 0 BGADHO CC[C@H]1CCCC[N@H+]1CCNc1ccncc1C ZINC000192593829 357845214 /nfs/dbraw/zinc/84/52/14/357845214.db2.gz GFVAULHZKHHQCI-AWEZNQCLSA-N 1 3 247.386 3.066 20 0 BGADHO CC[C@H]1CCCC[N@@H+]1CCNc1ccncc1C ZINC000192593829 357845209 /nfs/dbraw/zinc/84/52/09/357845209.db2.gz GFVAULHZKHHQCI-AWEZNQCLSA-N 1 3 247.386 3.066 20 0 BGADHO Cc1cnccc1N[C@@H](C)C[NH+]1CCCCCC1 ZINC000192792015 357851658 /nfs/dbraw/zinc/85/16/58/357851658.db2.gz MIBPDARILYNHPM-AWEZNQCLSA-N 1 3 247.386 3.066 20 0 BGADHO Cc1cnccc1N[C@H](C)C[NH+]1CCCCCC1 ZINC000192792027 357851773 /nfs/dbraw/zinc/85/17/73/357851773.db2.gz MIBPDARILYNHPM-CQSZACIVSA-N 1 3 247.386 3.066 20 0 BGADHO CCCCC[NH+]1CCC(N2CCCCC2)CC1 ZINC000199389380 398190213 /nfs/dbraw/zinc/19/02/13/398190213.db2.gz ZSIHKNBSSFTBAA-UHFFFAOYSA-N 1 3 238.419 3.127 20 0 BGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000214963308 349839267 /nfs/dbraw/zinc/83/92/67/349839267.db2.gz HFUHHAWKVSIQMZ-XGUBFFRZSA-N 1 3 238.419 3.061 20 0 BGADHO Cc1cccc(C)c1CN1CCCC[C@@H]1CC[NH3+] ZINC000215501866 386583172 /nfs/dbraw/zinc/58/31/72/386583172.db2.gz IQPLVLHYCFTSMC-OAHLLOKOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1CCN ZINC000215501866 386583170 /nfs/dbraw/zinc/58/31/70/386583170.db2.gz IQPLVLHYCFTSMC-OAHLLOKOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C)c1C[N@@H+]1CCCC[C@@H]1CCN ZINC000215501866 386583168 /nfs/dbraw/zinc/58/31/68/386583168.db2.gz IQPLVLHYCFTSMC-OAHLLOKOSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C)c1CN1CCCC[C@H]1CC[NH3+] ZINC000215501916 386583654 /nfs/dbraw/zinc/58/36/54/386583654.db2.gz IQPLVLHYCFTSMC-HNNXBMFYSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1CCN ZINC000215501916 386583647 /nfs/dbraw/zinc/58/36/47/386583647.db2.gz IQPLVLHYCFTSMC-HNNXBMFYSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cccc(C)c1C[N@@H+]1CCCC[C@H]1CCN ZINC000215501916 386583640 /nfs/dbraw/zinc/58/36/40/386583640.db2.gz IQPLVLHYCFTSMC-HNNXBMFYSA-N 1 3 246.398 3.007 20 0 BGADHO Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@H](N)C2)c(C)c1 ZINC000217503056 357908787 /nfs/dbraw/zinc/90/87/87/357908787.db2.gz RHCTWSKMQDFUTP-HUUCEWRRSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@@H](N)C2)c(C)c1 ZINC000217503056 357908785 /nfs/dbraw/zinc/90/87/85/357908785.db2.gz RHCTWSKMQDFUTP-HUUCEWRRSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H](N)C2)c(C)c1 ZINC000217503125 357909139 /nfs/dbraw/zinc/90/91/39/357909139.db2.gz RHCTWSKMQDFUTP-LSDHHAIUSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@H](N)C2)c(C)c1 ZINC000217503125 357909136 /nfs/dbraw/zinc/90/91/36/357909136.db2.gz RHCTWSKMQDFUTP-LSDHHAIUSA-N 1 3 246.398 3.096 20 0 BGADHO CC[C@H](c1ccccc1)N1CCC[C@@H](C[NH2+]C)C1 ZINC000218071349 536064522 /nfs/dbraw/zinc/06/45/22/536064522.db2.gz SXTGIQNSURNXED-GOEBONIOSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H](c1ccccc1)N1CCC[C@@H](C[NH2+]C)C1 ZINC000218071436 134251783 /nfs/dbraw/zinc/25/17/83/134251783.db2.gz SXTGIQNSURNXED-HOCLYGCPSA-N 1 3 246.398 3.069 20 0 BGADHO CC(C)N(C)CCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000218917085 134270561 /nfs/dbraw/zinc/27/05/61/134270561.db2.gz BYFOUTBLWWARAE-HUUCEWRRSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)N(C)CCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000218917179 535003193 /nfs/dbraw/zinc/00/31/93/535003193.db2.gz BYFOUTBLWWARAE-CABCVRRESA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000219366528 350124101 /nfs/dbraw/zinc/12/41/01/350124101.db2.gz FXSBMACZWGYLFR-LRDDRELGSA-N 1 3 242.366 3.228 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000219366593 363134653 /nfs/dbraw/zinc/13/46/53/363134653.db2.gz FXSBMACZWGYLFR-BLLLJJGKSA-N 1 3 242.366 3.228 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220569179 134309727 /nfs/dbraw/zinc/30/97/27/134309727.db2.gz LZEMETGIUQKIDI-QLFBSQMISA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000220569307 134309839 /nfs/dbraw/zinc/30/98/39/134309839.db2.gz LZEMETGIUQKIDI-SOUVJXGZSA-N 1 3 240.435 3.133 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221729921 488056418 /nfs/dbraw/zinc/05/64/18/488056418.db2.gz YYXLAPAVSWUGIC-RRFJBIMHSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221729921 488056415 /nfs/dbraw/zinc/05/64/15/488056415.db2.gz YYXLAPAVSWUGIC-RRFJBIMHSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221729966 134326323 /nfs/dbraw/zinc/32/63/23/134326323.db2.gz YYXLAPAVSWUGIC-SOUVJXGZSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221729966 134326322 /nfs/dbraw/zinc/32/63/22/134326322.db2.gz YYXLAPAVSWUGIC-SOUVJXGZSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221730019 488055903 /nfs/dbraw/zinc/05/59/03/488055903.db2.gz YYXLAPAVSWUGIC-ZNMIVQPWSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221730019 488055899 /nfs/dbraw/zinc/05/58/99/488055899.db2.gz YYXLAPAVSWUGIC-ZNMIVQPWSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221730068 134326195 /nfs/dbraw/zinc/32/61/95/134326195.db2.gz YYXLAPAVSWUGIC-KKUMJFAQSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221730068 134326194 /nfs/dbraw/zinc/32/61/94/134326194.db2.gz YYXLAPAVSWUGIC-KKUMJFAQSA-N 1 3 246.398 3.128 20 0 BGADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1(C)CC1 ZINC000221755405 134326363 /nfs/dbraw/zinc/32/63/63/134326363.db2.gz ZZNGQMCOTXPRLY-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)N(C)CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000221789371 134326059 /nfs/dbraw/zinc/32/60/59/134326059.db2.gz LCNAQPWNDYPNFY-OAHLLOKOSA-N 1 3 248.414 3.110 20 0 BGADHO CC(C)N(C)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000221789426 134326230 /nfs/dbraw/zinc/32/62/30/134326230.db2.gz LCNAQPWNDYPNFY-HNNXBMFYSA-N 1 3 248.414 3.110 20 0 BGADHO CCC1CCC([NH2+]CCCN(C)C(C)C)CC1 ZINC000221792640 134326079 /nfs/dbraw/zinc/32/60/79/134326079.db2.gz UFSJIYVQHSGTGN-UHFFFAOYSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1CCCCCCC1 ZINC000221792795 635342281 /nfs/dbraw/zinc/34/22/81/635342281.db2.gz JYUATJUEFLWZEP-UHFFFAOYSA-N 1 3 240.435 3.419 20 0 BGADHO CCC(CC)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000221809980 168360005 /nfs/dbraw/zinc/36/00/05/168360005.db2.gz YQDCAKFPLHQWDK-UHFFFAOYSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](CC1CC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000221816181 385717811 /nfs/dbraw/zinc/71/78/11/385717811.db2.gz JRDPBLVYJHIHFL-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]([NH2+]CCCN(C)C(C)C)c1ccccc1 ZINC000221912102 535803604 /nfs/dbraw/zinc/80/36/04/535803604.db2.gz XRFFPICYMSFSPK-MRXNPFEDSA-N 1 3 248.414 3.458 20 0 BGADHO CC[C@H]([NH2+]CCCN(C)C(C)C)c1ccccc1 ZINC000221912162 134326774 /nfs/dbraw/zinc/32/67/74/134326774.db2.gz XRFFPICYMSFSPK-INIZCTEOSA-N 1 3 248.414 3.458 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000221920335 134326504 /nfs/dbraw/zinc/32/65/04/134326504.db2.gz PYIIBGTZNNLQMQ-KBPBESRZSA-N 1 3 240.435 3.131 20 0 BGADHO Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000221920962 134326572 /nfs/dbraw/zinc/32/65/72/134326572.db2.gz DYULFKHQRQGJSQ-OAHLLOKOSA-N 1 3 248.414 3.376 20 0 BGADHO Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000221921013 134326693 /nfs/dbraw/zinc/32/66/93/134326693.db2.gz DYULFKHQRQGJSQ-HNNXBMFYSA-N 1 3 248.414 3.376 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000221927934 387191800 /nfs/dbraw/zinc/19/18/00/387191800.db2.gz RPNXCYGHEIFZTJ-CQSZACIVSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CCCCC1(C)C ZINC000221927995 387190827 /nfs/dbraw/zinc/19/08/27/387190827.db2.gz RPNXCYGHEIFZTJ-AWEZNQCLSA-N 1 3 240.435 3.275 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000222064136 134329206 /nfs/dbraw/zinc/32/92/06/134329206.db2.gz BEFUOXHITNZUOD-OFQRWUPVSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000222064136 134329205 /nfs/dbraw/zinc/32/92/05/134329205.db2.gz BEFUOXHITNZUOD-OFQRWUPVSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000222064260 134329327 /nfs/dbraw/zinc/32/93/27/134329327.db2.gz BEFUOXHITNZUOD-DZKIICNBSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000222064260 134329326 /nfs/dbraw/zinc/32/93/26/134329326.db2.gz BEFUOXHITNZUOD-DZKIICNBSA-N 1 3 246.398 3.128 20 0 BGADHO CCCC[C@H](CC)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222901513 358216528 /nfs/dbraw/zinc/21/65/28/358216528.db2.gz GIWQHBNBRLLTKX-BFHYXJOUSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@H](CC)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222901636 358216494 /nfs/dbraw/zinc/21/64/94/358216494.db2.gz GIWQHBNBRLLTKX-MJBXVCDLSA-N 1 3 226.408 3.062 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222906621 134336253 /nfs/dbraw/zinc/33/62/53/134336253.db2.gz YUXWIEWZGXFRRO-BFHYXJOUSA-N 1 3 226.408 3.061 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222906734 134336003 /nfs/dbraw/zinc/33/60/03/134336003.db2.gz YUXWIEWZGXFRRO-MJBXVCDLSA-N 1 3 226.408 3.061 20 0 BGADHO CCc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222932486 592511272 /nfs/dbraw/zinc/51/12/72/592511272.db2.gz JRZYTPGUPAQKMD-APHBMKBZSA-N 1 3 246.398 3.170 20 0 BGADHO CCc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222932603 592511172 /nfs/dbraw/zinc/51/11/72/592511172.db2.gz JRZYTPGUPAQKMD-MAZHCROVSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222934107 384129891 /nfs/dbraw/zinc/12/98/91/384129891.db2.gz AFRRTBZLDQDRGD-OAGGEKHMSA-N 1 3 246.398 3.243 20 0 BGADHO CC(C)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222934214 188145771 /nfs/dbraw/zinc/14/57/71/188145771.db2.gz AFRRTBZLDQDRGD-PMPSAXMXSA-N 1 3 246.398 3.243 20 0 BGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C)cc1 ZINC000222943337 384147216 /nfs/dbraw/zinc/14/72/16/384147216.db2.gz SDRXJPAPFWUHPQ-OAGGEKHMSA-N 1 3 246.398 3.306 20 0 BGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C)cc1 ZINC000222943454 384147431 /nfs/dbraw/zinc/14/74/31/384147431.db2.gz SDRXJPAPFWUHPQ-PMPSAXMXSA-N 1 3 246.398 3.306 20 0 BGADHO CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222945260 134336444 /nfs/dbraw/zinc/33/64/44/134336444.db2.gz RGJGTEWNUUVKOE-OAGGEKHMSA-N 1 3 246.398 3.387 20 0 BGADHO CCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222945384 134335991 /nfs/dbraw/zinc/33/59/91/134335991.db2.gz RGJGTEWNUUVKOE-PMPSAXMXSA-N 1 3 246.398 3.387 20 0 BGADHO Cc1ccc(C)c([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000222952068 488137153 /nfs/dbraw/zinc/13/71/53/488137153.db2.gz GSYCDMLFIYDESC-RRFJBIMHSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1ccc(C)c([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000222952202 488137221 /nfs/dbraw/zinc/13/72/21/488137221.db2.gz GSYCDMLFIYDESC-ZNMIVQPWSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000222966795 592513068 /nfs/dbraw/zinc/51/30/68/592513068.db2.gz QPATUBUCOXDLDZ-RRFJBIMHSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000222966906 592513524 /nfs/dbraw/zinc/51/35/24/592513524.db2.gz QPATUBUCOXDLDZ-ZNMIVQPWSA-N 1 3 246.398 3.224 20 0 BGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccs1 ZINC000222985737 592513494 /nfs/dbraw/zinc/51/34/94/592513494.db2.gz JFOQCRYLWVYCDT-UTUOFQBUSA-N 1 3 238.400 3.059 20 0 BGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccs1 ZINC000222985874 592513459 /nfs/dbraw/zinc/51/34/59/592513459.db2.gz JFOQCRYLWVYCDT-WOPDTQHZSA-N 1 3 238.400 3.059 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCCC1 ZINC000223001315 488139482 /nfs/dbraw/zinc/13/94/82/488139482.db2.gz UMURAJVJKMRYKZ-KFWWJZLASA-N 1 3 238.419 3.205 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCCCC1 ZINC000223001446 488139044 /nfs/dbraw/zinc/13/90/44/488139044.db2.gz UMURAJVJKMRYKZ-ILXRZTDVSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000223007084 134336386 /nfs/dbraw/zinc/33/63/86/134336386.db2.gz SDXXVTUHHZPLMH-FVQBIDKESA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000223007211 134336250 /nfs/dbraw/zinc/33/62/50/134336250.db2.gz SDXXVTUHHZPLMH-BMFZPTHFSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000223018274 358214242 /nfs/dbraw/zinc/21/42/42/358214242.db2.gz GTWJZNKRCFDXTR-KBUPBQIOSA-N 1 3 238.419 3.062 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000224117172 134341922 /nfs/dbraw/zinc/34/19/22/134341922.db2.gz NUCIHXDNNGLFKA-OFQRWUPVSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000224117172 134341921 /nfs/dbraw/zinc/34/19/21/134341921.db2.gz NUCIHXDNNGLFKA-OFQRWUPVSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000224117266 134341970 /nfs/dbraw/zinc/34/19/70/134341970.db2.gz NUCIHXDNNGLFKA-DZKIICNBSA-N 1 3 246.398 3.128 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000224117266 134341969 /nfs/dbraw/zinc/34/19/69/134341969.db2.gz NUCIHXDNNGLFKA-DZKIICNBSA-N 1 3 246.398 3.128 20 0 BGADHO C[C@H](C[C@@H]1CCCCCN1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000224247541 177142645 /nfs/dbraw/zinc/14/26/45/177142645.db2.gz SIWKBMUCHBFPCJ-LJISPDSOSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](CC)[NH2+]CCCN1CCCC[C@@H]1C ZINC000224584079 388667182 /nfs/dbraw/zinc/66/71/82/388667182.db2.gz JRNXJDIOLBSRBV-LSDHHAIUSA-N 1 3 240.435 3.419 20 0 BGADHO CCC[C@H](CC)[NH2+]CCCN1CCCC[C@@H]1C ZINC000224584129 388667708 /nfs/dbraw/zinc/66/77/08/388667708.db2.gz JRNXJDIOLBSRBV-GJZGRUSLSA-N 1 3 240.435 3.419 20 0 BGADHO CCC[C@@H](CC)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000224597717 388667605 /nfs/dbraw/zinc/66/76/05/388667605.db2.gz BDCHBZNFMKHXRI-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[C@H](CC)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000224597762 388667204 /nfs/dbraw/zinc/66/72/04/388667204.db2.gz BDCHBZNFMKHXRI-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCC[C@@H](CC)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000224597816 388667544 /nfs/dbraw/zinc/66/75/44/388667544.db2.gz BDCHBZNFMKHXRI-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[C@H](CC)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000224597868 387939541 /nfs/dbraw/zinc/93/95/41/387939541.db2.gz BDCHBZNFMKHXRI-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000225069074 134353218 /nfs/dbraw/zinc/35/32/18/134353218.db2.gz MFGCDORTMSXIEP-GJZGRUSLSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000225069115 134353205 /nfs/dbraw/zinc/35/32/05/134353205.db2.gz MFGCDORTMSXIEP-CABCVRRESA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000225069148 134353071 /nfs/dbraw/zinc/35/30/71/134353071.db2.gz MFGCDORTMSXIEP-LSDHHAIUSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000225069190 134353108 /nfs/dbraw/zinc/35/31/08/134353108.db2.gz MFGCDORTMSXIEP-HUUCEWRRSA-N 1 3 238.419 3.064 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000225252266 535003578 /nfs/dbraw/zinc/00/35/78/535003578.db2.gz VRGJAGHDJOBJGS-CQSZACIVSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000225252299 535003929 /nfs/dbraw/zinc/00/39/29/535003929.db2.gz VRGJAGHDJOBJGS-AWEZNQCLSA-N 1 3 240.435 3.275 20 0 BGADHO CCCC[C@@H](CCC)[NH2+][C@@H]1CCCNCC1 ZINC000225975358 259410254 /nfs/dbraw/zinc/41/02/54/259410254.db2.gz KUWBQPVWRWAAFX-ZIAGYGMSSA-N 1 3 226.408 3.077 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H]1CCCNCC1 ZINC000225975371 388694445 /nfs/dbraw/zinc/69/44/45/388694445.db2.gz KUWBQPVWRWAAFX-UONOGXRCSA-N 1 3 226.408 3.077 20 0 BGADHO CCCC[C@@H](CCC)[NH2+][C@H]1CCCNCC1 ZINC000225975384 388693892 /nfs/dbraw/zinc/69/38/92/388693892.db2.gz KUWBQPVWRWAAFX-KGLIPLIRSA-N 1 3 226.408 3.077 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H]1CCCNCC1 ZINC000225975399 388693834 /nfs/dbraw/zinc/69/38/34/388693834.db2.gz KUWBQPVWRWAAFX-KBPBESRZSA-N 1 3 226.408 3.077 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000225975563 358332189 /nfs/dbraw/zinc/33/21/89/358332189.db2.gz PPVPYQOADUKQEJ-HZSPNIEDSA-N 1 3 226.408 3.205 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000225975586 358332335 /nfs/dbraw/zinc/33/23/35/358332335.db2.gz PPVPYQOADUKQEJ-RDBSUJKOSA-N 1 3 226.408 3.205 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H](C)C1CCCCC1 ZINC000226313119 388714497 /nfs/dbraw/zinc/71/44/97/388714497.db2.gz VRAUTTLPBMVLLD-AWEZNQCLSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H](C)C1CCCCC1 ZINC000226313125 387380578 /nfs/dbraw/zinc/38/05/78/387380578.db2.gz VRAUTTLPBMVLLD-CQSZACIVSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H](c1ccccc1)N(C)CC[C@@H]([NH3+])C(C)C ZINC000226429735 350430428 /nfs/dbraw/zinc/43/04/28/350430428.db2.gz YQBUJWQQBAXOOK-CVEARBPZSA-N 1 3 248.414 3.443 20 0 BGADHO CC[C@H](c1ccccc1)N(C)CC[C@@H]([NH3+])C(C)C ZINC000226429740 134365730 /nfs/dbraw/zinc/36/57/30/134365730.db2.gz YQBUJWQQBAXOOK-HZPDHXFCSA-N 1 3 248.414 3.443 20 0 BGADHO Cc1cccc([C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000226431485 134365718 /nfs/dbraw/zinc/36/57/18/134365718.db2.gz ZNDXTXYCSLHNAY-GDBMZVCRSA-N 1 3 248.414 3.361 20 0 BGADHO Cc1cccc([C@H](C)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000226431491 134365852 /nfs/dbraw/zinc/36/58/52/134365852.db2.gz ZNDXTXYCSLHNAY-GOEBONIOSA-N 1 3 248.414 3.361 20 0 BGADHO C[N@@H+](C[C@@H]1CCCNC1)C1CCCCCCC1 ZINC000226437343 632407477 /nfs/dbraw/zinc/40/74/77/632407477.db2.gz LFLBYHLCXXKIBA-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@H+](C[C@@H]1CCCNC1)C1CCCCCCC1 ZINC000226437343 632407472 /nfs/dbraw/zinc/40/74/72/632407472.db2.gz LFLBYHLCXXKIBA-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](N)C[C@@H]2C)C1 ZINC000226869578 358347017 /nfs/dbraw/zinc/34/70/17/358347017.db2.gz NBTCPFHYXOQTDI-LXTVHRRPSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H](N)C[C@@H]2C)C1 ZINC000226869578 358347013 /nfs/dbraw/zinc/34/70/13/358347013.db2.gz NBTCPFHYXOQTDI-LXTVHRRPSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CCN2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000226869578 358347010 /nfs/dbraw/zinc/34/70/10/358347010.db2.gz NBTCPFHYXOQTDI-LXTVHRRPSA-N 1 3 238.419 3.014 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)N)c(C)c1 ZINC000227023742 387955196 /nfs/dbraw/zinc/95/51/96/387955196.db2.gz JXDGKFSAIPAFSE-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)N)c(C)c1 ZINC000227023742 387955193 /nfs/dbraw/zinc/95/51/93/387955193.db2.gz JXDGKFSAIPAFSE-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)N)c(C)c1 ZINC000227023748 387955002 /nfs/dbraw/zinc/95/50/02/387955002.db2.gz JXDGKFSAIPAFSE-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)N)c(C)c1 ZINC000227023748 387954998 /nfs/dbraw/zinc/95/49/98/387954998.db2.gz JXDGKFSAIPAFSE-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)N)cc1C ZINC000227025034 385082709 /nfs/dbraw/zinc/08/27/09/385082709.db2.gz CMFQQDBYOPGHKO-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)N)cc1C ZINC000227025034 385082703 /nfs/dbraw/zinc/08/27/03/385082703.db2.gz CMFQQDBYOPGHKO-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)N)cc1C ZINC000227025044 385083856 /nfs/dbraw/zinc/08/38/56/385083856.db2.gz CMFQQDBYOPGHKO-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)N)cc1C ZINC000227025044 385083850 /nfs/dbraw/zinc/08/38/50/385083850.db2.gz CMFQQDBYOPGHKO-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)N)c1C ZINC000227025532 179074355 /nfs/dbraw/zinc/07/43/55/179074355.db2.gz RESMGTDVDVETIO-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)N)c1C ZINC000227025532 179074353 /nfs/dbraw/zinc/07/43/53/179074353.db2.gz RESMGTDVDVETIO-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)N)c1C ZINC000227025543 179074486 /nfs/dbraw/zinc/07/44/86/179074486.db2.gz RESMGTDVDVETIO-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)N)c1C ZINC000227025543 179074485 /nfs/dbraw/zinc/07/44/85/179074485.db2.gz RESMGTDVDVETIO-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@H](C)N)c1 ZINC000227025623 640809132 /nfs/dbraw/zinc/80/91/32/640809132.db2.gz GXJSDHZQSQQIBG-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@H](C)N)c1 ZINC000227025623 640809131 /nfs/dbraw/zinc/80/91/31/640809131.db2.gz GXJSDHZQSQQIBG-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)N)c1 ZINC000227025638 632414587 /nfs/dbraw/zinc/41/45/87/632414587.db2.gz GXJSDHZQSQQIBG-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H](C)N)c1 ZINC000227025638 632414583 /nfs/dbraw/zinc/41/45/83/632414583.db2.gz GXJSDHZQSQQIBG-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2[C@H](C)N)c1 ZINC000227025793 387954703 /nfs/dbraw/zinc/95/47/03/387954703.db2.gz YUOPWNIYKMXDRN-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2[C@H](C)N)c1 ZINC000227025793 387954700 /nfs/dbraw/zinc/95/47/00/387954700.db2.gz YUOPWNIYKMXDRN-HOCLYGCPSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)N)c1 ZINC000227025802 387955218 /nfs/dbraw/zinc/95/52/18/387955218.db2.gz YUOPWNIYKMXDRN-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2[C@H](C)N)c1 ZINC000227025802 387955212 /nfs/dbraw/zinc/95/52/12/387955212.db2.gz YUOPWNIYKMXDRN-GOEBONIOSA-N 1 3 246.398 3.005 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN(C)C(C)C ZINC000227114930 388741200 /nfs/dbraw/zinc/74/12/00/388741200.db2.gz WDZKPDOVHYFITH-CABCVRRESA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H]1CCCC[C@@H]1[NH2+]CCCN(C)C(C)C ZINC000227114935 388740477 /nfs/dbraw/zinc/74/04/77/388740477.db2.gz WDZKPDOVHYFITH-GJZGRUSLSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H]1CCCC[C@H]1[NH2+]CCCN(C)C(C)C ZINC000227114940 388740517 /nfs/dbraw/zinc/74/05/17/388740517.db2.gz WDZKPDOVHYFITH-HUUCEWRRSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H]1CCCC[C@H]1[NH2+]CCCN(C)C(C)C ZINC000227114946 388741178 /nfs/dbraw/zinc/74/11/78/388741178.db2.gz WDZKPDOVHYFITH-LSDHHAIUSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227536090 176144837 /nfs/dbraw/zinc/14/48/37/176144837.db2.gz ADBBLRJGDBCRMM-NOXHYTERSA-N 1 3 244.382 3.300 20 0 BGADHO CC(C)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536125 535301262 /nfs/dbraw/zinc/30/12/62/535301262.db2.gz PFTFJCBMTACZJL-NILFDRSVSA-N 1 3 232.371 3.155 20 0 BGADHO CC(C)C[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227536135 535300722 /nfs/dbraw/zinc/30/07/22/535300722.db2.gz PFTFJCBMTACZJL-GLQYFDAESA-N 1 3 232.371 3.155 20 0 BGADHO CC[C@H](C)[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227539444 134382600 /nfs/dbraw/zinc/38/26/00/134382600.db2.gz FBZZJXQWVMSRHI-UOVKNHIHSA-N 1 3 232.371 3.155 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC=CCC2)c2ccccc21 ZINC000227540132 640838538 /nfs/dbraw/zinc/83/85/38/640838538.db2.gz YRXIVOAKDHXGMW-DAXOMENPSA-N 1 3 242.366 3.077 20 0 BGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CC=CCC2)c2ccccc21 ZINC000227540141 640838740 /nfs/dbraw/zinc/83/87/40/640838740.db2.gz YRXIVOAKDHXGMW-WQVCFCJDSA-N 1 3 242.366 3.077 20 0 BGADHO CCC[C@H](CC)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540260 134383012 /nfs/dbraw/zinc/38/30/12/134383012.db2.gz GLOISUSCLIEZPJ-NILFDRSVSA-N 1 3 232.371 3.300 20 0 BGADHO CCC[C@H](CC)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540266 134382827 /nfs/dbraw/zinc/38/28/27/134382827.db2.gz GLOISUSCLIEZPJ-GLQYFDAESA-N 1 3 232.371 3.300 20 0 BGADHO CC(C)[C@H](C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541245 350500426 /nfs/dbraw/zinc/50/04/26/350500426.db2.gz QVVHJELNOIACSH-KCPJHIHWSA-N 1 3 232.371 3.013 20 0 BGADHO CC(C)[C@H](C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541252 134382816 /nfs/dbraw/zinc/38/28/16/134382816.db2.gz QVVHJELNOIACSH-DFBGVHRSSA-N 1 3 232.371 3.013 20 0 BGADHO CC1(C)CCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542131 345257686 /nfs/dbraw/zinc/25/76/86/345257686.db2.gz FXCWNVMIOSMIFJ-KFWWJZLASA-N 1 3 244.382 3.300 20 0 BGADHO CC1(C)CCC[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542139 345257917 /nfs/dbraw/zinc/25/79/17/345257917.db2.gz FXCWNVMIOSMIFJ-ILXRZTDVSA-N 1 3 244.382 3.300 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227709143 535003437 /nfs/dbraw/zinc/00/34/37/535003437.db2.gz XFCONBUHJORFOI-QLFBSQMISA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000227709150 535004603 /nfs/dbraw/zinc/00/46/03/535004603.db2.gz XFCONBUHJORFOI-ILXRZTDVSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000227844650 134391328 /nfs/dbraw/zinc/39/13/28/134391328.db2.gz SWNRSPQJRMCYRQ-ZIAGYGMSSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000227968488 385299587 /nfs/dbraw/zinc/29/95/87/385299587.db2.gz HFUHHAWKVSIQMZ-KBXIAJHMSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)N(C)CCC[NH2+]CC1CCCCCC1 ZINC000228028474 388766223 /nfs/dbraw/zinc/76/62/23/388766223.db2.gz XDWFKMQVUQIMCX-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO C(CNC1CC1)C[NH2+]CCCC1CCCCC1 ZINC000228410382 387093625 /nfs/dbraw/zinc/09/36/25/387093625.db2.gz YNJMOFVJJDITRC-UHFFFAOYSA-N 1 3 238.419 3.079 20 0 BGADHO C[C@@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000228952926 358387305 /nfs/dbraw/zinc/38/73/05/358387305.db2.gz GEIUHNWUESYLSZ-LERXQTSPSA-N 1 3 232.371 3.155 20 0 BGADHO C[C@@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000228952956 358387405 /nfs/dbraw/zinc/38/74/05/358387405.db2.gz GEIUHNWUESYLSZ-HONMWMINSA-N 1 3 232.371 3.155 20 0 BGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000229064794 640920115 /nfs/dbraw/zinc/92/01/15/640920115.db2.gz KFKFAUKMKJHFMI-VNQPRFMTSA-N 1 3 246.398 3.054 20 0 BGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000229064794 640920114 /nfs/dbraw/zinc/92/01/14/640920114.db2.gz KFKFAUKMKJHFMI-VNQPRFMTSA-N 1 3 246.398 3.054 20 0 BGADHO CC(C)C(C[NH2+][C@@H]1CCCC[C@@H]1CN)C(C)C ZINC000229527503 388794080 /nfs/dbraw/zinc/79/40/80/388794080.db2.gz DXNOCLVHHUYJEM-UKRRQHHQSA-N 1 3 240.435 3.022 20 0 BGADHO CC(C)C(C[NH2+][C@H]1CCCC[C@@H]1CN)C(C)C ZINC000229527512 388793868 /nfs/dbraw/zinc/79/38/68/388793868.db2.gz DXNOCLVHHUYJEM-HIFRSBDPSA-N 1 3 240.435 3.022 20 0 BGADHO CC(C)C(C[NH2+][C@@H]1CCCC[C@H]1CN)C(C)C ZINC000229527523 388793878 /nfs/dbraw/zinc/79/38/78/388793878.db2.gz DXNOCLVHHUYJEM-DZGCQCFKSA-N 1 3 240.435 3.022 20 0 BGADHO CC(C)C(C[NH2+][C@H]1CCCC[C@H]1CN)C(C)C ZINC000229527537 388794110 /nfs/dbraw/zinc/79/41/10/388794110.db2.gz DXNOCLVHHUYJEM-ZFWWWQNUSA-N 1 3 240.435 3.022 20 0 BGADHO NCCC[N@H+](Cc1ccccc1)CC1CCCC1 ZINC000230002113 388809819 /nfs/dbraw/zinc/80/98/19/388809819.db2.gz PJPCLDREZPSPNM-UHFFFAOYSA-N 1 3 246.398 3.028 20 0 BGADHO NCCC[N@@H+](Cc1ccccc1)CC1CCCC1 ZINC000230002113 388809815 /nfs/dbraw/zinc/80/98/15/388809815.db2.gz PJPCLDREZPSPNM-UHFFFAOYSA-N 1 3 246.398 3.028 20 0 BGADHO CCCCCN(CCC[NH3+])Cc1ccccc1 ZINC000230008079 388348951 /nfs/dbraw/zinc/34/89/51/388348951.db2.gz ZGXBPFSTBAADDJ-UHFFFAOYSA-N 1 3 234.387 3.028 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000230393977 357533058 /nfs/dbraw/zinc/53/30/58/357533058.db2.gz WTYOSWLPCHXGQZ-QLFBSQMISA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000230393980 357532877 /nfs/dbraw/zinc/53/28/77/357532877.db2.gz WTYOSWLPCHXGQZ-ILXRZTDVSA-N 1 3 240.435 3.131 20 0 BGADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000230407254 353493920 /nfs/dbraw/zinc/49/39/20/353493920.db2.gz OFRILKLOMAFYFZ-NOXHYTERSA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1CCC(C)(C)CC1 ZINC000230639695 357542028 /nfs/dbraw/zinc/54/20/28/357542028.db2.gz FXDHFPQZPNHGAX-UHFFFAOYSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H]1CCC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000230639781 388827718 /nfs/dbraw/zinc/82/77/18/388827718.db2.gz QYCDXZWMUCHWLX-HUUCEWRRSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H]1CCC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000230639789 388827029 /nfs/dbraw/zinc/82/70/29/388827029.db2.gz QYCDXZWMUCHWLX-LSDHHAIUSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H]1CCC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000230639795 388827125 /nfs/dbraw/zinc/82/71/25/388827125.db2.gz QYCDXZWMUCHWLX-CABCVRRESA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H]1CCC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000230639802 388827520 /nfs/dbraw/zinc/82/75/20/388827520.db2.gz QYCDXZWMUCHWLX-GJZGRUSLSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230659074 353521335 /nfs/dbraw/zinc/52/13/35/353521335.db2.gz VOANVGTYZIITDA-CZPYZCIJSA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)C1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000232548732 641302672 /nfs/dbraw/zinc/30/26/72/641302672.db2.gz WEYYRLDIVCHDFZ-HUUCEWRRSA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)C1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000232548743 641301652 /nfs/dbraw/zinc/30/16/52/641301652.db2.gz WEYYRLDIVCHDFZ-LSDHHAIUSA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)C1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000232548998 641302182 /nfs/dbraw/zinc/30/21/82/641302182.db2.gz WEYYRLDIVCHDFZ-CABCVRRESA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)C1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000232549007 641301807 /nfs/dbraw/zinc/30/18/07/641301807.db2.gz WEYYRLDIVCHDFZ-GJZGRUSLSA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000232617143 357669722 /nfs/dbraw/zinc/66/97/22/357669722.db2.gz YVRJTABCEYVLIL-KBPBESRZSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+]CCC1CCCCC1 ZINC000232653482 357673515 /nfs/dbraw/zinc/67/35/15/357673515.db2.gz YRXVABOYCSCJCH-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000232656660 357680594 /nfs/dbraw/zinc/68/05/94/357680594.db2.gz YVRJTABCEYVLIL-UONOGXRCSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)C(C)(C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000232776929 641672310 /nfs/dbraw/zinc/67/23/10/641672310.db2.gz CEVGIGIHHDGOGP-HUUCEWRRSA-N 1 3 246.398 3.403 20 0 BGADHO CC(C)C(C)(C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000232777320 641670304 /nfs/dbraw/zinc/67/03/04/641670304.db2.gz CEVGIGIHHDGOGP-LSDHHAIUSA-N 1 3 246.398 3.403 20 0 BGADHO CC(C)C(C)(C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000232791489 641676555 /nfs/dbraw/zinc/67/65/55/641676555.db2.gz CEVGIGIHHDGOGP-CABCVRRESA-N 1 3 246.398 3.403 20 0 BGADHO CC(C)C(C)(C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000232791811 641676714 /nfs/dbraw/zinc/67/67/14/641676714.db2.gz CEVGIGIHHDGOGP-GJZGRUSLSA-N 1 3 246.398 3.403 20 0 BGADHO CCCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000232949662 642636837 /nfs/dbraw/zinc/63/68/37/642636837.db2.gz UVHYYGDIYRXCFG-HUUCEWRRSA-N 1 3 244.382 3.301 20 0 BGADHO CCCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000232950046 644173302 /nfs/dbraw/zinc/17/33/02/644173302.db2.gz UVHYYGDIYRXCFG-LSDHHAIUSA-N 1 3 244.382 3.301 20 0 BGADHO CCCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000232955635 642637596 /nfs/dbraw/zinc/63/75/96/642637596.db2.gz UVHYYGDIYRXCFG-CABCVRRESA-N 1 3 244.382 3.301 20 0 BGADHO CCCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000232955868 642637029 /nfs/dbraw/zinc/63/70/29/642637029.db2.gz UVHYYGDIYRXCFG-GJZGRUSLSA-N 1 3 244.382 3.301 20 0 BGADHO CCC(C)(C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000232986225 642641728 /nfs/dbraw/zinc/64/17/28/642641728.db2.gz VSEYJGLDNRDYOB-ZIAGYGMSSA-N 1 3 232.371 3.157 20 0 BGADHO CCC(C)(C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000232986615 642641764 /nfs/dbraw/zinc/64/17/64/642641764.db2.gz VSEYJGLDNRDYOB-UONOGXRCSA-N 1 3 232.371 3.157 20 0 BGADHO CCC(C)(C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000233004042 168282049 /nfs/dbraw/zinc/28/20/49/168282049.db2.gz VSEYJGLDNRDYOB-KGLIPLIRSA-N 1 3 232.371 3.157 20 0 BGADHO CCC(C)(C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000233004386 168282170 /nfs/dbraw/zinc/28/21/70/168282170.db2.gz VSEYJGLDNRDYOB-KBPBESRZSA-N 1 3 232.371 3.157 20 0 BGADHO CCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000233011641 386686278 /nfs/dbraw/zinc/68/62/78/386686278.db2.gz MWPDNFDQBDEUPI-HUUCEWRRSA-N 1 3 244.382 3.301 20 0 BGADHO CCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000233012187 386686870 /nfs/dbraw/zinc/68/68/70/386686870.db2.gz MWPDNFDQBDEUPI-LSDHHAIUSA-N 1 3 244.382 3.301 20 0 BGADHO CC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCCCC1 ZINC000233019566 642643552 /nfs/dbraw/zinc/64/35/52/642643552.db2.gz KEMNRSJCVSTCBC-ZIAGYGMSSA-N 1 3 238.419 3.064 20 0 BGADHO CC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCCCC1 ZINC000233020369 642643055 /nfs/dbraw/zinc/64/30/55/642643055.db2.gz KEMNRSJCVSTCBC-UONOGXRCSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000233026226 353788432 /nfs/dbraw/zinc/78/84/32/353788432.db2.gz MWPDNFDQBDEUPI-CABCVRRESA-N 1 3 244.382 3.301 20 0 BGADHO CCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000233026558 353788833 /nfs/dbraw/zinc/78/88/33/353788833.db2.gz MWPDNFDQBDEUPI-GJZGRUSLSA-N 1 3 244.382 3.301 20 0 BGADHO CC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCCCC1 ZINC000233027384 642645376 /nfs/dbraw/zinc/64/53/76/642645376.db2.gz KEMNRSJCVSTCBC-KGLIPLIRSA-N 1 3 238.419 3.064 20 0 BGADHO CC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCCCC1 ZINC000233027991 711779273 /nfs/dbraw/zinc/77/92/73/711779273.db2.gz KEMNRSJCVSTCBC-KBPBESRZSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCCC1 ZINC000233087390 642650317 /nfs/dbraw/zinc/65/03/17/642650317.db2.gz OEJDZSZZFXQHPT-ZIAGYGMSSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCCC1 ZINC000233087659 642651183 /nfs/dbraw/zinc/65/11/83/642651183.db2.gz OEJDZSZZFXQHPT-UONOGXRCSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000233091587 535298273 /nfs/dbraw/zinc/29/82/73/535298273.db2.gz HRAKUWMSNHUKKK-KGLIPLIRSA-N 1 3 238.419 3.077 20 0 BGADHO CCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCCC1 ZINC000233096338 642648458 /nfs/dbraw/zinc/64/84/58/642648458.db2.gz OEJDZSZZFXQHPT-KGLIPLIRSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCCC1 ZINC000233096572 642647907 /nfs/dbraw/zinc/64/79/07/642647907.db2.gz OEJDZSZZFXQHPT-KBPBESRZSA-N 1 3 238.419 3.064 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000233460031 353817168 /nfs/dbraw/zinc/81/71/68/353817168.db2.gz ZTYUTUOLVRYZJW-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000233460038 357724060 /nfs/dbraw/zinc/72/40/60/357724060.db2.gz ZTYUTUOLVRYZJW-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000233461322 357724821 /nfs/dbraw/zinc/72/48/21/357724821.db2.gz ZTYUTUOLVRYZJW-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000233461329 357724579 /nfs/dbraw/zinc/72/45/79/357724579.db2.gz ZTYUTUOLVRYZJW-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000236878204 134838250 /nfs/dbraw/zinc/83/82/50/134838250.db2.gz JBKSPLQCGWIFEI-KGLIPLIRSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C(C)C ZINC000236935016 387912970 /nfs/dbraw/zinc/91/29/70/387912970.db2.gz VDVPILRKRONYRT-INIZCTEOSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000236935659 387913910 /nfs/dbraw/zinc/91/39/10/387913910.db2.gz JBKSPLQCGWIFEI-ZIAGYGMSSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000236988173 387912995 /nfs/dbraw/zinc/91/29/95/387912995.db2.gz JBKSPLQCGWIFEI-KBPBESRZSA-N 1 3 248.414 3.272 20 0 BGADHO CCCN(CCC)CCC[NH2+]CC(C)(C)C ZINC000236993301 363463769 /nfs/dbraw/zinc/46/37/69/363463769.db2.gz BXJIKZCSVICVAB-UHFFFAOYSA-N 1 3 228.424 3.134 20 0 BGADHO CCC[NH+](CCC)CCCNCC(C)(C)C ZINC000236993301 363463768 /nfs/dbraw/zinc/46/37/68/363463768.db2.gz BXJIKZCSVICVAB-UHFFFAOYSA-N 1 3 228.424 3.134 20 0 BGADHO CC[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C(C)C ZINC000237008610 136272136 /nfs/dbraw/zinc/27/21/36/136272136.db2.gz VDVPILRKRONYRT-MRXNPFEDSA-N 1 3 248.414 3.272 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000237032218 136272138 /nfs/dbraw/zinc/27/21/38/136272138.db2.gz JBKSPLQCGWIFEI-UONOGXRCSA-N 1 3 248.414 3.272 20 0 BGADHO CN(C)Cc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000237037924 536011737 /nfs/dbraw/zinc/01/17/37/536011737.db2.gz USSCNHQFMIRJMY-UHFFFAOYSA-N 1 3 248.414 3.274 20 0 BGADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000245450258 387950312 /nfs/dbraw/zinc/95/03/12/387950312.db2.gz OLGYLDWZEDUOGM-CABCVRRESA-N 1 3 246.398 3.021 20 0 BGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000245450258 387950308 /nfs/dbraw/zinc/95/03/08/387950308.db2.gz OLGYLDWZEDUOGM-CABCVRRESA-N 1 3 246.398 3.021 20 0 BGADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000245450259 387950565 /nfs/dbraw/zinc/95/05/65/387950565.db2.gz OLGYLDWZEDUOGM-HUUCEWRRSA-N 1 3 246.398 3.021 20 0 BGADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000245450259 387950561 /nfs/dbraw/zinc/95/05/61/387950561.db2.gz OLGYLDWZEDUOGM-HUUCEWRRSA-N 1 3 246.398 3.021 20 0 BGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000245459507 387947985 /nfs/dbraw/zinc/94/79/85/387947985.db2.gz LLMVVESOSBKROC-CABCVRRESA-N 1 3 246.398 3.069 20 0 BGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccccc2)C1 ZINC000245459507 387947978 /nfs/dbraw/zinc/94/79/78/387947978.db2.gz LLMVVESOSBKROC-CABCVRRESA-N 1 3 246.398 3.069 20 0 BGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccccc2)C1 ZINC000245459507 387947972 /nfs/dbraw/zinc/94/79/72/387947972.db2.gz LLMVVESOSBKROC-CABCVRRESA-N 1 3 246.398 3.069 20 0 BGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000245459508 387947877 /nfs/dbraw/zinc/94/78/77/387947877.db2.gz LLMVVESOSBKROC-HUUCEWRRSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccccc2)C1 ZINC000245459508 387947872 /nfs/dbraw/zinc/94/78/72/387947872.db2.gz LLMVVESOSBKROC-HUUCEWRRSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccccc2)C1 ZINC000245459508 387947869 /nfs/dbraw/zinc/94/78/69/387947869.db2.gz LLMVVESOSBKROC-HUUCEWRRSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[C@@H](C)C[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000245640608 388595670 /nfs/dbraw/zinc/59/56/70/388595670.db2.gz DJFZZWUKLHQYKI-CABCVRRESA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000245640608 388595667 /nfs/dbraw/zinc/59/56/67/388595667.db2.gz DJFZZWUKLHQYKI-CABCVRRESA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)C[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000245640614 388595271 /nfs/dbraw/zinc/59/52/71/388595271.db2.gz DJFZZWUKLHQYKI-GJZGRUSLSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000245640614 388595269 /nfs/dbraw/zinc/59/52/69/388595269.db2.gz DJFZZWUKLHQYKI-GJZGRUSLSA-N 1 3 240.435 3.086 20 0 BGADHO C[C@H](c1ccccc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245812779 387984752 /nfs/dbraw/zinc/98/47/52/387984752.db2.gz HVJQJOIBIBGQBT-CABCVRRESA-N 1 3 246.398 3.021 20 0 BGADHO C[C@H](c1ccccc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000245812779 387984751 /nfs/dbraw/zinc/98/47/51/387984751.db2.gz HVJQJOIBIBGQBT-CABCVRRESA-N 1 3 246.398 3.021 20 0 BGADHO C[C@@H](c1ccccc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245812786 387984950 /nfs/dbraw/zinc/98/49/50/387984950.db2.gz HVJQJOIBIBGQBT-GJZGRUSLSA-N 1 3 246.398 3.021 20 0 BGADHO C[C@@H](c1ccccc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000245812786 387984947 /nfs/dbraw/zinc/98/49/47/387984947.db2.gz HVJQJOIBIBGQBT-GJZGRUSLSA-N 1 3 246.398 3.021 20 0 BGADHO CCC[C@@H](C)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245854549 388607674 /nfs/dbraw/zinc/60/76/74/388607674.db2.gz NESIBXSKTGKYLN-CABCVRRESA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H](C)C[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000245854549 388607671 /nfs/dbraw/zinc/60/76/71/388607671.db2.gz NESIBXSKTGKYLN-CABCVRRESA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000245854549 388607668 /nfs/dbraw/zinc/60/76/68/388607668.db2.gz NESIBXSKTGKYLN-CABCVRRESA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245854557 388608012 /nfs/dbraw/zinc/60/80/12/388608012.db2.gz NESIBXSKTGKYLN-GJZGRUSLSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)C[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000245854557 388608010 /nfs/dbraw/zinc/60/80/10/388608010.db2.gz NESIBXSKTGKYLN-GJZGRUSLSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000245854557 388608009 /nfs/dbraw/zinc/60/80/09/388608009.db2.gz NESIBXSKTGKYLN-GJZGRUSLSA-N 1 3 240.435 3.086 20 0 BGADHO C1=C(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCCC1 ZINC000246082715 388006700 /nfs/dbraw/zinc/00/67/00/388006700.db2.gz YLMJKDCFAOFUOK-CVEARBPZSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000246082715 388006696 /nfs/dbraw/zinc/00/66/96/388006696.db2.gz YLMJKDCFAOFUOK-CVEARBPZSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000246082715 388006691 /nfs/dbraw/zinc/00/66/91/388006691.db2.gz YLMJKDCFAOFUOK-CVEARBPZSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)CCCC1 ZINC000246082719 388006805 /nfs/dbraw/zinc/00/68/05/388006805.db2.gz YLMJKDCFAOFUOK-HOTGVXAUSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000246082719 388006803 /nfs/dbraw/zinc/00/68/03/388006803.db2.gz YLMJKDCFAOFUOK-HOTGVXAUSA-N 1 3 248.414 3.093 20 0 BGADHO C1=C(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000246082719 388006800 /nfs/dbraw/zinc/00/68/00/388006800.db2.gz YLMJKDCFAOFUOK-HOTGVXAUSA-N 1 3 248.414 3.093 20 0 BGADHO C[C@@H]1CC[C@@H](C)N1CCC[NH+]1[C@H](C)CC[C@H]1C ZINC000246481269 359116660 /nfs/dbraw/zinc/11/66/60/359116660.db2.gz HNITZBYTSWWINU-KBUPBQIOSA-N 1 3 238.419 3.122 20 0 BGADHO C[C@@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1C ZINC000246843148 176071165 /nfs/dbraw/zinc/07/11/65/176071165.db2.gz CMVZHMNTXZVOMV-HUUCEWRRSA-N 1 3 238.419 3.125 20 0 BGADHO C[C@@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1C ZINC000246843148 176071163 /nfs/dbraw/zinc/07/11/63/176071163.db2.gz CMVZHMNTXZVOMV-HUUCEWRRSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@@H](C)[N@H+](C)C[C@H](C)CN(C)[C@@H](C)CC ZINC000246883419 388653581 /nfs/dbraw/zinc/65/35/81/388653581.db2.gz KIOHEFQEBKHOGF-BTTYYORXSA-N 1 3 228.424 3.083 20 0 BGADHO CC[C@@H](C)[N@@H+](C)C[C@H](C)CN(C)[C@@H](C)CC ZINC000246883419 388653579 /nfs/dbraw/zinc/65/35/79/388653579.db2.gz KIOHEFQEBKHOGF-BTTYYORXSA-N 1 3 228.424 3.083 20 0 BGADHO CC[C@@H](C)N(C)C[C@H](C)C[N@@H+](C)[C@@H](C)CC ZINC000246883419 388653577 /nfs/dbraw/zinc/65/35/77/388653577.db2.gz KIOHEFQEBKHOGF-BTTYYORXSA-N 1 3 228.424 3.083 20 0 BGADHO CC[C@@H](C)N(C)C[C@H](C)C[N@H+](C)[C@@H](C)CC ZINC000246883419 388653574 /nfs/dbraw/zinc/65/35/74/388653574.db2.gz KIOHEFQEBKHOGF-BTTYYORXSA-N 1 3 228.424 3.083 20 0 BGADHO CC[C@@H](C)N(C)CC(C)C[N@@H+](C)[C@H](C)CC ZINC000246883427 388653800 /nfs/dbraw/zinc/65/38/00/388653800.db2.gz KIOHEFQEBKHOGF-ZIAGYGMSSA-N 1 3 228.424 3.083 20 0 BGADHO CC[C@@H](C)N(C)CC(C)C[N@H+](C)[C@H](C)CC ZINC000246883427 388653798 /nfs/dbraw/zinc/65/37/98/388653798.db2.gz KIOHEFQEBKHOGF-ZIAGYGMSSA-N 1 3 228.424 3.083 20 0 BGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000246992724 359181414 /nfs/dbraw/zinc/18/14/14/359181414.db2.gz JLOMSGGBYSSRLP-CWRNSKLLSA-N 1 3 246.398 3.210 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000246992742 359181493 /nfs/dbraw/zinc/18/14/93/359181493.db2.gz JLOMSGGBYSSRLP-NUEKZKHPSA-N 1 3 246.398 3.210 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000247018624 388657881 /nfs/dbraw/zinc/65/78/81/388657881.db2.gz MRIYBWFOEXDOKJ-RRFJBIMHSA-N 1 3 240.435 3.131 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000247018642 388657348 /nfs/dbraw/zinc/65/73/48/388657348.db2.gz MRIYBWFOEXDOKJ-SOUVJXGZSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000247116440 388658595 /nfs/dbraw/zinc/65/85/95/388658595.db2.gz UHWQGMCFCNARLN-KGLIPLIRSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000247116451 323131942 /nfs/dbraw/zinc/13/19/42/323131942.db2.gz UHWQGMCFCNARLN-ZIAGYGMSSA-N 1 3 240.435 3.131 20 0 BGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CCCC1 ZINC000247153500 359197803 /nfs/dbraw/zinc/19/78/03/359197803.db2.gz RREYDCZZKHKWQB-AEGPPILISA-N 1 3 238.419 3.028 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CCCC1 ZINC000247153520 359197719 /nfs/dbraw/zinc/19/77/19/359197719.db2.gz RREYDCZZKHKWQB-NWANDNLSSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000247449650 359220873 /nfs/dbraw/zinc/22/08/73/359220873.db2.gz ZBBQUOMOTHOHQM-GDBMZVCRSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@H](c1ccccc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000247449650 359220871 /nfs/dbraw/zinc/22/08/71/359220871.db2.gz ZBBQUOMOTHOHQM-GDBMZVCRSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000247449661 359221015 /nfs/dbraw/zinc/22/10/15/359221015.db2.gz ZBBQUOMOTHOHQM-GOEBONIOSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000247449661 359221013 /nfs/dbraw/zinc/22/10/13/359221013.db2.gz ZBBQUOMOTHOHQM-GOEBONIOSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C(C)(C)C ZINC000247883521 388670396 /nfs/dbraw/zinc/67/03/96/388670396.db2.gz CJUULTVRJMINLO-UONOGXRCSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C(C)(C)C ZINC000247883523 388670411 /nfs/dbraw/zinc/67/04/11/388670411.db2.gz CJUULTVRJMINLO-ZIAGYGMSSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCC1 ZINC000248066463 364627134 /nfs/dbraw/zinc/62/71/34/364627134.db2.gz ZPPGMHUZVGXWFR-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCC1 ZINC000248066468 364627101 /nfs/dbraw/zinc/62/71/01/364627101.db2.gz ZPPGMHUZVGXWFR-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248398994 388677928 /nfs/dbraw/zinc/67/79/28/388677928.db2.gz JIAKWJSINPFRPA-IHRRRGAJSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248398996 388677533 /nfs/dbraw/zinc/67/75/33/388677533.db2.gz JIAKWJSINPFRPA-MJBXVCDLSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000248504259 388682575 /nfs/dbraw/zinc/68/25/75/388682575.db2.gz VJIOJCNPKKLRID-KKUMJFAQSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000248504260 388681981 /nfs/dbraw/zinc/68/19/81/388681981.db2.gz VJIOJCNPKKLRID-SOUVJXGZSA-N 1 3 240.435 3.275 20 0 BGADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1(C)CC1 ZINC000248906053 135026697 /nfs/dbraw/zinc/02/66/97/135026697.db2.gz ZZNGQMCOTXPRLY-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000248979489 388701961 /nfs/dbraw/zinc/70/19/61/388701961.db2.gz IMVKSYSXGHHHME-BPLDGKMQSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000248979492 388702489 /nfs/dbraw/zinc/70/24/89/388702489.db2.gz IMVKSYSXGHHHME-VHDGCEQUSA-N 1 3 238.419 3.028 20 0 BGADHO CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000249818516 388733569 /nfs/dbraw/zinc/73/35/69/388733569.db2.gz SUUFIKYRVSPKTI-RBSFLKMASA-N 1 3 238.419 3.077 20 0 BGADHO CCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000249818519 388733663 /nfs/dbraw/zinc/73/36/63/388733663.db2.gz SUUFIKYRVSPKTI-RRFJBIMHSA-N 1 3 238.419 3.077 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000249937641 325662899 /nfs/dbraw/zinc/66/28/99/325662899.db2.gz GMYSSCVKVRURDC-RBSFLKMASA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000249937645 325662596 /nfs/dbraw/zinc/66/25/96/325662596.db2.gz GMYSSCVKVRURDC-RRFJBIMHSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249942603 322870595 /nfs/dbraw/zinc/87/05/95/322870595.db2.gz HZWIFQYUWROUBL-FICVDOATSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000249987239 135048489 /nfs/dbraw/zinc/04/84/89/135048489.db2.gz SPQQVUOETUAGEH-FICVDOATSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000250042298 135048696 /nfs/dbraw/zinc/04/86/96/135048696.db2.gz UZQHOICUDPZICN-RBSFLKMASA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000250042302 135048434 /nfs/dbraw/zinc/04/84/34/135048434.db2.gz UZQHOICUDPZICN-RRFJBIMHSA-N 1 3 240.435 3.133 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000250798653 644780134 /nfs/dbraw/zinc/78/01/34/644780134.db2.gz BTEWUPRRAJBFON-KKUMJFAQSA-N 1 3 240.435 3.452 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000250798658 644780558 /nfs/dbraw/zinc/78/05/58/644780558.db2.gz BTEWUPRRAJBFON-SOUVJXGZSA-N 1 3 240.435 3.452 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000250812404 712834605 /nfs/dbraw/zinc/83/46/05/712834605.db2.gz HVWBXRZYZOCSOS-IHRRRGAJSA-N 1 3 226.408 3.062 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000250812407 712834566 /nfs/dbraw/zinc/83/45/66/712834566.db2.gz HVWBXRZYZOCSOS-MELADBBJSA-N 1 3 226.408 3.062 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000250842496 135059641 /nfs/dbraw/zinc/05/96/41/135059641.db2.gz YKZABICNZAKFLU-KKUMJFAQSA-N 1 3 238.419 3.172 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000250842499 135059882 /nfs/dbraw/zinc/05/98/82/135059882.db2.gz YKZABICNZAKFLU-ZNMIVQPWSA-N 1 3 238.419 3.172 20 0 BGADHO CCCC(CCC)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251115638 135064350 /nfs/dbraw/zinc/06/43/50/135064350.db2.gz HCAAJQCXJJCKEC-CABCVRRESA-N 1 3 238.419 3.172 20 0 BGADHO CCCC(CCC)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251115640 135064210 /nfs/dbraw/zinc/06/42/10/135064210.db2.gz HCAAJQCXJJCKEC-GJZGRUSLSA-N 1 3 238.419 3.172 20 0 BGADHO CC1(C)CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000251163917 353277113 /nfs/dbraw/zinc/27/71/13/353277113.db2.gz NOLONFYJLNVZGA-IHRRRGAJSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000251163921 353277209 /nfs/dbraw/zinc/27/72/09/353277209.db2.gz NOLONFYJLNVZGA-MELADBBJSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000251296877 385962864 /nfs/dbraw/zinc/96/28/64/385962864.db2.gz HFUHHAWKVSIQMZ-AJNGGQMLSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000251296881 385963541 /nfs/dbraw/zinc/96/35/41/385963541.db2.gz HFUHHAWKVSIQMZ-QPSCCSFWSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC1 ZINC000251302955 135068086 /nfs/dbraw/zinc/06/80/86/135068086.db2.gz BWPOIKPSWRKOCK-HIFRSBDPSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC1 ZINC000251302958 535803695 /nfs/dbraw/zinc/80/36/95/535803695.db2.gz BWPOIKPSWRKOCK-UKRRQHHQSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000251308163 535653853 /nfs/dbraw/zinc/65/38/53/535653853.db2.gz JZODEJOKJWJZAK-UONOGXRCSA-N 1 3 226.408 3.029 20 0 BGADHO CCC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000251308168 135067864 /nfs/dbraw/zinc/06/78/64/135067864.db2.gz JZODEJOKJWJZAK-ZIAGYGMSSA-N 1 3 226.408 3.029 20 0 BGADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000251308436 388643157 /nfs/dbraw/zinc/64/31/57/388643157.db2.gz UVVNWWBVYSYRFH-HRCADAONSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000251308436 388643155 /nfs/dbraw/zinc/64/31/55/388643155.db2.gz UVVNWWBVYSYRFH-HRCADAONSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000251308439 388642701 /nfs/dbraw/zinc/64/27/01/388642701.db2.gz UVVNWWBVYSYRFH-JYJNAYRXSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000251308439 388642699 /nfs/dbraw/zinc/64/26/99/388642699.db2.gz UVVNWWBVYSYRFH-JYJNAYRXSA-N 1 3 246.398 3.245 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000251360999 135069171 /nfs/dbraw/zinc/06/91/71/135069171.db2.gz DGYXKTPXZISQSA-KKUMJFAQSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251361003 135068752 /nfs/dbraw/zinc/06/87/52/135068752.db2.gz DGYXKTPXZISQSA-SOUVJXGZSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)c1ccccc1 ZINC000251375968 135071272 /nfs/dbraw/zinc/07/12/72/135071272.db2.gz YDHULUQMXCATQU-HIFRSBDPSA-N 1 3 234.387 3.053 20 0 BGADHO CC(C)[C@H]([NH3+])CCN(C)[C@H](C)c1ccccc1 ZINC000251375971 535064782 /nfs/dbraw/zinc/06/47/82/535064782.db2.gz YDHULUQMXCATQU-UKRRQHHQSA-N 1 3 234.387 3.053 20 0 BGADHO CC(C)CC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251400034 135071766 /nfs/dbraw/zinc/07/17/66/135071766.db2.gz LRFCBOVPHZYMFC-KKUMJFAQSA-N 1 3 238.419 3.028 20 0 BGADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251400035 135071058 /nfs/dbraw/zinc/07/10/58/135071058.db2.gz LRFCBOVPHZYMFC-ZNMIVQPWSA-N 1 3 238.419 3.028 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251403699 388747360 /nfs/dbraw/zinc/74/73/60/388747360.db2.gz VYSPKBVDNFHVJY-KKUMJFAQSA-N 1 3 238.419 3.172 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251403700 388747108 /nfs/dbraw/zinc/74/71/08/388747108.db2.gz VYSPKBVDNFHVJY-ZNMIVQPWSA-N 1 3 238.419 3.172 20 0 BGADHO CC[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1N ZINC000251523375 487764321 /nfs/dbraw/zinc/76/43/21/487764321.db2.gz ABGJUNXACVIOIW-HUUCEWRRSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@H+](CC2CCCCCC2)CC[C@H]1N ZINC000251523375 487764318 /nfs/dbraw/zinc/76/43/18/487764318.db2.gz ABGJUNXACVIOIW-HUUCEWRRSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1N ZINC000251523388 487764134 /nfs/dbraw/zinc/76/41/34/487764134.db2.gz ABGJUNXACVIOIW-LSDHHAIUSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@H+](CC2CCCCCC2)CC[C@H]1N ZINC000251523388 487764132 /nfs/dbraw/zinc/76/41/32/487764132.db2.gz ABGJUNXACVIOIW-LSDHHAIUSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1CN(CCC2CCCCC2)CC[C@H]1[NH3+] ZINC000251653959 487780803 /nfs/dbraw/zinc/78/08/03/487780803.db2.gz GQQPMZRWDQMCKL-HUUCEWRRSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1N ZINC000251653959 487780796 /nfs/dbraw/zinc/78/07/96/487780796.db2.gz GQQPMZRWDQMCKL-HUUCEWRRSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@H+](CCC2CCCCC2)CC[C@H]1N ZINC000251653959 487780792 /nfs/dbraw/zinc/78/07/92/487780792.db2.gz GQQPMZRWDQMCKL-HUUCEWRRSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1CN(CCC2CCCCC2)CC[C@H]1[NH3+] ZINC000251653961 487781163 /nfs/dbraw/zinc/78/11/63/487781163.db2.gz GQQPMZRWDQMCKL-LSDHHAIUSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1N ZINC000251653961 487781160 /nfs/dbraw/zinc/78/11/60/487781160.db2.gz GQQPMZRWDQMCKL-LSDHHAIUSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@H+](CCC2CCCCC2)CC[C@H]1N ZINC000251653961 487781154 /nfs/dbraw/zinc/78/11/54/487781154.db2.gz GQQPMZRWDQMCKL-LSDHHAIUSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000251658068 369885777 /nfs/dbraw/zinc/88/57/77/369885777.db2.gz GWZVXVSFPCPKMF-CBBWQLFWSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000251658070 369885578 /nfs/dbraw/zinc/88/55/78/369885578.db2.gz GWZVXVSFPCPKMF-KBXIAJHMSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000251658071 369885949 /nfs/dbraw/zinc/88/59/49/369885949.db2.gz GWZVXVSFPCPKMF-QPSCCSFWSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000251680148 349173496 /nfs/dbraw/zinc/17/34/96/349173496.db2.gz GTWJZNKRCFDXTR-KBXIAJHMSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000251680149 349173510 /nfs/dbraw/zinc/17/35/10/349173510.db2.gz GTWJZNKRCFDXTR-TUVASFSCSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000251725452 487792910 /nfs/dbraw/zinc/79/29/10/487792910.db2.gz KEHGDZIPFAFCIJ-BMFZPTHFSA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000251725452 487792906 /nfs/dbraw/zinc/79/29/06/487792906.db2.gz KEHGDZIPFAFCIJ-BMFZPTHFSA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@@H](c1ccccc1)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251725452 487792902 /nfs/dbraw/zinc/79/29/02/487792902.db2.gz KEHGDZIPFAFCIJ-BMFZPTHFSA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000251725454 487792995 /nfs/dbraw/zinc/79/29/95/487792995.db2.gz KEHGDZIPFAFCIJ-FVQBIDKESA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000251725454 487792988 /nfs/dbraw/zinc/79/29/88/487792988.db2.gz KEHGDZIPFAFCIJ-FVQBIDKESA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@H](c1ccccc1)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251725454 487792980 /nfs/dbraw/zinc/79/29/80/487792980.db2.gz KEHGDZIPFAFCIJ-FVQBIDKESA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000251725456 487793123 /nfs/dbraw/zinc/79/31/23/487793123.db2.gz KEHGDZIPFAFCIJ-VNQPRFMTSA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000251725456 487793117 /nfs/dbraw/zinc/79/31/17/487793117.db2.gz KEHGDZIPFAFCIJ-VNQPRFMTSA-N 1 3 246.398 3.197 20 0 BGADHO CC[C@H](c1ccccc1)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251725456 487793109 /nfs/dbraw/zinc/79/31/09/487793109.db2.gz KEHGDZIPFAFCIJ-VNQPRFMTSA-N 1 3 246.398 3.197 20 0 BGADHO C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000251768768 135076396 /nfs/dbraw/zinc/07/63/96/135076396.db2.gz DYRNDARCHZXUAJ-KFWWJZLASA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000251768770 135076992 /nfs/dbraw/zinc/07/69/92/135076992.db2.gz DYRNDARCHZXUAJ-RBSFLKMASA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](N)C[C@H]2C)C1 ZINC000251824893 349192240 /nfs/dbraw/zinc/19/22/40/349192240.db2.gz NBTCPFHYXOQTDI-KBUPBQIOSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H](N)C[C@H]2C)C1 ZINC000251824893 349192237 /nfs/dbraw/zinc/19/22/37/349192237.db2.gz NBTCPFHYXOQTDI-KBUPBQIOSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CCN2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000251824893 349192232 /nfs/dbraw/zinc/19/22/32/349192232.db2.gz NBTCPFHYXOQTDI-KBUPBQIOSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](N)C[C@H]2C)C1 ZINC000251824896 349192374 /nfs/dbraw/zinc/19/23/74/349192374.db2.gz NBTCPFHYXOQTDI-TUVASFSCSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H](N)C[C@H]2C)C1 ZINC000251824896 349192372 /nfs/dbraw/zinc/19/23/72/349192372.db2.gz NBTCPFHYXOQTDI-TUVASFSCSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1CCC[C@H](CCN2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000251824896 349192369 /nfs/dbraw/zinc/19/23/69/349192369.db2.gz NBTCPFHYXOQTDI-TUVASFSCSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CN([C@H](C)c2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000251873142 487804837 /nfs/dbraw/zinc/80/48/37/487804837.db2.gz UOSUREDUSVHUDV-FMKPAKJESA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@@H]1CN([C@H](C)c2cccc(C)c2)CC[C@H]1[NH3+] ZINC000251873143 487804913 /nfs/dbraw/zinc/80/49/13/487804913.db2.gz UOSUREDUSVHUDV-IIAWOOMASA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@@H]1CN([C@@H](C)c2cccc(C)c2)CC[C@H]1[NH3+] ZINC000251873144 487804853 /nfs/dbraw/zinc/80/48/53/487804853.db2.gz UOSUREDUSVHUDV-SQWLQELKSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCCN1 ZINC000251942888 325683745 /nfs/dbraw/zinc/68/37/45/325683745.db2.gz SRPGKNIWUNDPKI-LJISPDSOSA-N 1 3 240.435 3.321 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCCN1 ZINC000251942891 325683712 /nfs/dbraw/zinc/68/37/12/325683712.db2.gz SRPGKNIWUNDPKI-XGUBFFRZSA-N 1 3 240.435 3.321 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCCN1 ZINC000251942895 325683769 /nfs/dbraw/zinc/68/37/69/325683769.db2.gz SRPGKNIWUNDPKI-ZQDZILKHSA-N 1 3 240.435 3.321 20 0 BGADHO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252025434 135082756 /nfs/dbraw/zinc/08/27/56/135082756.db2.gz YENXVINNILMMCE-AJNGGQMLSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252025436 135082457 /nfs/dbraw/zinc/08/24/57/135082457.db2.gz YENXVINNILMMCE-XQLPTFJDSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000252025438 135082934 /nfs/dbraw/zinc/08/29/34/135082934.db2.gz YENXVINNILMMCE-ZQDZILKHSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000252112070 135083718 /nfs/dbraw/zinc/08/37/18/135083718.db2.gz HXGDQNPBNYNXNB-KFWWJZLASA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000252112072 135083740 /nfs/dbraw/zinc/08/37/40/135083740.db2.gz HXGDQNPBNYNXNB-RBSFLKMASA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](C[C@@H]1CCCCCN1)[NH2+][C@@H]1CCC[C@H]1C ZINC000252195907 135086961 /nfs/dbraw/zinc/08/69/61/135086961.db2.gz SIWKBMUCHBFPCJ-APIJFGDWSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](C[C@@H]1CCCCCN1)[NH2+][C@H]1CCC[C@H]1C ZINC000252195908 135086540 /nfs/dbraw/zinc/08/65/40/135086540.db2.gz SIWKBMUCHBFPCJ-KBXIAJHMSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](C[C@@H]1CCCCCN1)[NH2+][C@H]1CCC[C@@H]1C ZINC000252195909 135086883 /nfs/dbraw/zinc/08/68/83/135086883.db2.gz SIWKBMUCHBFPCJ-XGUBFFRZSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)C[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252212257 384918514 /nfs/dbraw/zinc/91/85/14/384918514.db2.gz WROGFJAXGBRGJM-HUUCEWRRSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252367710 384921273 /nfs/dbraw/zinc/92/12/73/384921273.db2.gz CJNAJELMBAIAMR-RRFJBIMHSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252367711 384921475 /nfs/dbraw/zinc/92/14/75/384921475.db2.gz CJNAJELMBAIAMR-ZNMIVQPWSA-N 1 3 240.435 3.275 20 0 BGADHO CCC[C@@H](C)C[NH2+]CCCN1CCCC[C@H]1C ZINC000252368800 135087874 /nfs/dbraw/zinc/08/78/74/135087874.db2.gz YCTMYKYMDNQVKA-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[C@H](C)C[NH2+]CCCN1CCCC[C@H]1C ZINC000252368802 135087765 /nfs/dbraw/zinc/08/77/65/135087765.db2.gz YCTMYKYMDNQVKA-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000252384982 322872147 /nfs/dbraw/zinc/87/21/47/322872147.db2.gz DLYRNOPYBNIAKJ-KKUMJFAQSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000252384983 384703050 /nfs/dbraw/zinc/70/30/50/384703050.db2.gz DLYRNOPYBNIAKJ-SOUVJXGZSA-N 1 3 240.435 3.133 20 0 BGADHO CCCCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413545 644849054 /nfs/dbraw/zinc/84/90/54/644849054.db2.gz DUCJXMGLBBGNHT-HUUCEWRRSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413546 644848865 /nfs/dbraw/zinc/84/88/65/644848865.db2.gz DUCJXMGLBBGNHT-LSDHHAIUSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)C(C)C ZINC000252424308 384920390 /nfs/dbraw/zinc/92/03/90/384920390.db2.gz GLWHJHOQCAPWGH-CABCVRRESA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C(C)C ZINC000252424309 384921033 /nfs/dbraw/zinc/92/10/33/384921033.db2.gz GLWHJHOQCAPWGH-HUUCEWRRSA-N 1 3 240.435 3.275 20 0 BGADHO CCCC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252426727 384922121 /nfs/dbraw/zinc/92/21/21/384922121.db2.gz VURIRYBKNLMTEH-HUUCEWRRSA-N 1 3 240.435 3.419 20 0 BGADHO CCCC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252426728 384922003 /nfs/dbraw/zinc/92/20/03/384922003.db2.gz VURIRYBKNLMTEH-LSDHHAIUSA-N 1 3 240.435 3.419 20 0 BGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H](C)c1ccccc1 ZINC000252690224 535063730 /nfs/dbraw/zinc/06/37/30/535063730.db2.gz UICKXNZWIKPIHN-GOEBONIOSA-N 1 3 248.414 3.095 20 0 BGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H](C)c1ccccc1 ZINC000252690225 135096778 /nfs/dbraw/zinc/09/67/78/135096778.db2.gz UICKXNZWIKPIHN-HOCLYGCPSA-N 1 3 248.414 3.095 20 0 BGADHO C[C@H](CC1CC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000252711491 388773299 /nfs/dbraw/zinc/77/32/99/388773299.db2.gz JRDPBLVYJHIHFL-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CCC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252751342 135107566 /nfs/dbraw/zinc/10/75/66/135107566.db2.gz ADBBLRJGDBCRMM-KNPMLCFXSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@@H]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252751343 135107302 /nfs/dbraw/zinc/10/73/02/135107302.db2.gz ADBBLRJGDBCRMM-KOZAUXTDSA-N 1 3 244.382 3.300 20 0 BGADHO CC[C@H](C)[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000252763699 535943514 /nfs/dbraw/zinc/94/35/14/535943514.db2.gz FBZZJXQWVMSRHI-AZHAFVHUSA-N 1 3 232.371 3.155 20 0 BGADHO CC[C@H](C)[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252763701 535943876 /nfs/dbraw/zinc/94/38/76/535943876.db2.gz FBZZJXQWVMSRHI-GVARAGBVSA-N 1 3 232.371 3.155 20 0 BGADHO C[C@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000253124851 644937935 /nfs/dbraw/zinc/93/79/35/644937935.db2.gz KVVZGXOKDJDTIG-APYUEPQZSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000253124854 634497436 /nfs/dbraw/zinc/49/74/36/634497436.db2.gz KVVZGXOKDJDTIG-BHTHQVBYSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000253124856 634496382 /nfs/dbraw/zinc/49/63/82/634496382.db2.gz KVVZGXOKDJDTIG-CZPYZCIJSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000253124858 634496209 /nfs/dbraw/zinc/49/62/09/634496209.db2.gz KVVZGXOKDJDTIG-GVAFMPQTSA-N 1 3 244.382 3.300 20 0 BGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000253189183 644943778 /nfs/dbraw/zinc/94/37/78/644943778.db2.gz KFKFAUKMKJHFMI-CWRNSKLLSA-N 1 3 246.398 3.054 20 0 BGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000253189183 644943768 /nfs/dbraw/zinc/94/37/68/644943768.db2.gz KFKFAUKMKJHFMI-CWRNSKLLSA-N 1 3 246.398 3.054 20 0 BGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253189184 644943916 /nfs/dbraw/zinc/94/39/16/644943916.db2.gz KFKFAUKMKJHFMI-FVQBIDKESA-N 1 3 246.398 3.054 20 0 BGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253189184 644943911 /nfs/dbraw/zinc/94/39/11/644943911.db2.gz KFKFAUKMKJHFMI-FVQBIDKESA-N 1 3 246.398 3.054 20 0 BGADHO C[N@@H+](Cc1cccc2ccccc21)CC(C)(C)N ZINC000258687651 536477550 /nfs/dbraw/zinc/47/75/50/536477550.db2.gz BFXWMAFANVVLMM-UHFFFAOYSA-N 1 3 242.366 3.009 20 0 BGADHO C[N@H+](Cc1cccc2ccccc21)CC(C)(C)N ZINC000258687651 536477548 /nfs/dbraw/zinc/47/75/48/536477548.db2.gz BFXWMAFANVVLMM-UHFFFAOYSA-N 1 3 242.366 3.009 20 0 BGADHO CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000258912962 384946241 /nfs/dbraw/zinc/94/62/41/384946241.db2.gz ILETYJBZKXOIKG-HZPDHXFCSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)([NH3+])CCNCc1csc2ccccc12 ZINC000258960094 635230617 /nfs/dbraw/zinc/23/06/17/635230617.db2.gz SEHPUTPXOQSUSV-UHFFFAOYSA-N 1 3 248.395 3.118 20 0 BGADHO CC(C)([NH3+])CCNCc1cccc2ccccc21 ZINC000259031118 711796984 /nfs/dbraw/zinc/79/69/84/711796984.db2.gz ZORNXPUAANTMGG-UHFFFAOYSA-N 1 3 242.366 3.057 20 0 BGADHO CC(C)c1ccc(CNCCC(C)(C)[NH3+])cc1 ZINC000259033051 635234164 /nfs/dbraw/zinc/23/41/64/635234164.db2.gz ZWDOZXKPLLJMET-UHFFFAOYSA-N 1 3 234.387 3.027 20 0 BGADHO CC1(C)CCC(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000261546595 135238169 /nfs/dbraw/zinc/23/81/69/135238169.db2.gz HCYGRUKTKWJROU-KBPBESRZSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000261546596 135238872 /nfs/dbraw/zinc/23/88/72/135238872.db2.gz HCYGRUKTKWJROU-KGLIPLIRSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000261546597 135238585 /nfs/dbraw/zinc/23/85/85/135238585.db2.gz HCYGRUKTKWJROU-UONOGXRCSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000261546598 135238894 /nfs/dbraw/zinc/23/88/94/135238894.db2.gz HCYGRUKTKWJROU-ZIAGYGMSSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000261546978 135239134 /nfs/dbraw/zinc/23/91/34/135239134.db2.gz HPBYGPJQCVYEAF-AGIUHOORSA-N 1 3 234.387 3.196 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000261546979 135239415 /nfs/dbraw/zinc/23/94/15/135239415.db2.gz HPBYGPJQCVYEAF-AVGNSLFASA-N 1 3 234.387 3.196 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000261546980 135239334 /nfs/dbraw/zinc/23/93/34/135239334.db2.gz HPBYGPJQCVYEAF-UPJWGTAASA-N 1 3 234.387 3.196 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000261546981 135239451 /nfs/dbraw/zinc/23/94/51/135239451.db2.gz HPBYGPJQCVYEAF-XQQFMLRXSA-N 1 3 234.387 3.196 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000261548923 135187380 /nfs/dbraw/zinc/18/73/80/135187380.db2.gz JZFLPNZEHXDOCQ-GFCCVEGCSA-N 1 3 234.387 3.198 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000261548925 135187473 /nfs/dbraw/zinc/18/74/73/135187473.db2.gz JZFLPNZEHXDOCQ-LBPRGKRZSA-N 1 3 234.387 3.198 20 0 BGADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000261550505 135189027 /nfs/dbraw/zinc/18/90/27/135189027.db2.gz OFRILKLOMAFYFZ-GUYJKWIASA-N 1 3 244.382 3.157 20 0 BGADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000261550507 135189366 /nfs/dbraw/zinc/18/93/66/135189366.db2.gz OFRILKLOMAFYFZ-KNPMLCFXSA-N 1 3 244.382 3.157 20 0 BGADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000261550508 135188943 /nfs/dbraw/zinc/18/89/43/135188943.db2.gz OFRILKLOMAFYFZ-KOZAUXTDSA-N 1 3 244.382 3.157 20 0 BGADHO C[C@@H]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261551471 135190796 /nfs/dbraw/zinc/19/07/96/135190796.db2.gz VOANVGTYZIITDA-AVRGHOLYSA-N 1 3 244.382 3.157 20 0 BGADHO C[C@@H]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261551472 135190757 /nfs/dbraw/zinc/19/07/57/135190757.db2.gz VOANVGTYZIITDA-BHTHQVBYSA-N 1 3 244.382 3.157 20 0 BGADHO C[C@@H]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261551473 135190764 /nfs/dbraw/zinc/19/07/64/135190764.db2.gz VOANVGTYZIITDA-MPTQWLOMSA-N 1 3 244.382 3.157 20 0 BGADHO Cc1cccc([C@H](C)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000261552054 135191048 /nfs/dbraw/zinc/19/10/48/135191048.db2.gz MCOGVTWWJAAHJT-DZKIICNBSA-N 1 3 246.398 3.115 20 0 BGADHO Cc1cccc([C@H](C)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000261552057 135191446 /nfs/dbraw/zinc/19/14/46/135191446.db2.gz MCOGVTWWJAAHJT-IJEWVQPXSA-N 1 3 246.398 3.115 20 0 BGADHO Cc1cccc([C@H](C)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000261552060 135191520 /nfs/dbraw/zinc/19/15/20/135191520.db2.gz MCOGVTWWJAAHJT-OFQRWUPVSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261553585 135192968 /nfs/dbraw/zinc/19/29/68/135192968.db2.gz OBHXBHTWJIMWBA-CHWSQXEVSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261553586 135193288 /nfs/dbraw/zinc/19/32/88/135193288.db2.gz OBHXBHTWJIMWBA-OLZOCXBDSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261553587 135193038 /nfs/dbraw/zinc/19/30/38/135193038.db2.gz OBHXBHTWJIMWBA-QWHCGFSZSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261553588 135192557 /nfs/dbraw/zinc/19/25/57/135192557.db2.gz OBHXBHTWJIMWBA-STQMWFEESA-N 1 3 240.435 3.166 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(C)cc1 ZINC000261556364 535947273 /nfs/dbraw/zinc/94/72/73/535947273.db2.gz BYFMWHFSFKOBGW-BPUTZDHNSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C)cc1 ZINC000261556364 535947266 /nfs/dbraw/zinc/94/72/66/535947266.db2.gz BYFMWHFSFKOBGW-BPUTZDHNSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(C)cc1 ZINC000261556365 535938903 /nfs/dbraw/zinc/93/89/03/535938903.db2.gz BYFMWHFSFKOBGW-CWRNSKLLSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C)cc1 ZINC000261556365 535938898 /nfs/dbraw/zinc/93/88/98/535938898.db2.gz BYFMWHFSFKOBGW-CWRNSKLLSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(C)cc1 ZINC000261556366 535947309 /nfs/dbraw/zinc/94/73/09/535947309.db2.gz BYFMWHFSFKOBGW-KBMXLJTQSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(C)cc1 ZINC000261556366 535947306 /nfs/dbraw/zinc/94/73/06/535947306.db2.gz BYFMWHFSFKOBGW-KBMXLJTQSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(C)cc1 ZINC000261556367 535938981 /nfs/dbraw/zinc/93/89/81/535938981.db2.gz BYFMWHFSFKOBGW-VNQPRFMTSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C)cc1 ZINC000261556367 535938973 /nfs/dbraw/zinc/93/89/73/535938973.db2.gz BYFMWHFSFKOBGW-VNQPRFMTSA-N 1 3 246.398 3.034 20 0 BGADHO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000261557379 135197782 /nfs/dbraw/zinc/19/77/82/135197782.db2.gz CORHZQOJHXEYQY-CYBMUJFWSA-N 1 3 248.414 3.273 20 0 BGADHO CC(C)Cc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000261557380 535338204 /nfs/dbraw/zinc/33/82/04/535338204.db2.gz CORHZQOJHXEYQY-ZDUSSCGKSA-N 1 3 248.414 3.273 20 0 BGADHO CC(C)(C)C[C@H]([NH2+]CC(C)(C)N)c1ccccc1 ZINC000261559943 534643867 /nfs/dbraw/zinc/64/38/67/534643867.db2.gz DVZXDTBHJDWECN-AWEZNQCLSA-N 1 3 248.414 3.491 20 0 BGADHO CC(C)(C)C[C@@H]([NH2+]CC(C)(C)N)c1ccccc1 ZINC000261559944 135200473 /nfs/dbraw/zinc/20/04/73/135200473.db2.gz DVZXDTBHJDWECN-CQSZACIVSA-N 1 3 248.414 3.491 20 0 BGADHO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000261561625 535338105 /nfs/dbraw/zinc/33/81/05/535338105.db2.gz GAPJPKXAYSIWJS-IHRRRGAJSA-N 1 3 248.414 3.271 20 0 BGADHO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000261561626 135202819 /nfs/dbraw/zinc/20/28/19/135202819.db2.gz GAPJPKXAYSIWJS-MCIONIFRSA-N 1 3 248.414 3.271 20 0 BGADHO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000261561627 135202919 /nfs/dbraw/zinc/20/29/19/135202919.db2.gz GAPJPKXAYSIWJS-MJBXVCDLSA-N 1 3 248.414 3.271 20 0 BGADHO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000261561628 535338716 /nfs/dbraw/zinc/33/87/16/535338716.db2.gz GAPJPKXAYSIWJS-RDBSUJKOSA-N 1 3 248.414 3.271 20 0 BGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC1(C)C ZINC000261561758 135202671 /nfs/dbraw/zinc/20/26/71/135202671.db2.gz VUABDHYJIHVBGD-HZSPNIEDSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCC1(C)C ZINC000261561759 135202622 /nfs/dbraw/zinc/20/26/22/135202622.db2.gz VUABDHYJIHVBGD-MCIONIFRSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC1(C)C ZINC000261561761 135202995 /nfs/dbraw/zinc/20/29/95/135202995.db2.gz VUABDHYJIHVBGD-MGPQQGTHSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC1(C)C ZINC000261561762 135203013 /nfs/dbraw/zinc/20/30/13/135203013.db2.gz VUABDHYJIHVBGD-RDBSUJKOSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cccc(Cl)c1 ZINC000261562828 135204292 /nfs/dbraw/zinc/20/42/92/135204292.db2.gz BPZOJHZHBYCMHK-BREBYQMCSA-N 1 3 240.778 3.116 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1cccc(Cl)c1 ZINC000261562829 135204471 /nfs/dbraw/zinc/20/44/71/135204471.db2.gz BPZOJHZHBYCMHK-CWSCBRNRSA-N 1 3 240.778 3.116 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cccc(Cl)c1 ZINC000261562830 135204034 /nfs/dbraw/zinc/20/40/34/135204034.db2.gz BPZOJHZHBYCMHK-KWBADKCTSA-N 1 3 240.778 3.116 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cccc(Cl)c1 ZINC000261562831 135204573 /nfs/dbraw/zinc/20/45/73/135204573.db2.gz BPZOJHZHBYCMHK-NRUUGDAUSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261573260 135214692 /nfs/dbraw/zinc/21/46/92/135214692.db2.gz MCRDPMXCIFOISL-AGIUHOORSA-N 1 3 248.414 3.370 20 0 BGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261573261 135214651 /nfs/dbraw/zinc/21/46/51/135214651.db2.gz MCRDPMXCIFOISL-AVGNSLFASA-N 1 3 248.414 3.370 20 0 BGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261573262 135214622 /nfs/dbraw/zinc/21/46/22/135214622.db2.gz MCRDPMXCIFOISL-UPJWGTAASA-N 1 3 248.414 3.370 20 0 BGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[C@H](C)N ZINC000261573263 135215283 /nfs/dbraw/zinc/21/52/83/135215283.db2.gz MCRDPMXCIFOISL-XQQFMLRXSA-N 1 3 248.414 3.370 20 0 BGADHO CC[C@@H]([NH2+]CC(C)(C)N)c1ccc(Cl)cc1 ZINC000261573816 535802954 /nfs/dbraw/zinc/80/29/54/535802954.db2.gz IZOKIABHKVACPS-GFCCVEGCSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@H]([NH2+]CC(C)(C)N)c1ccc(Cl)cc1 ZINC000261573818 135215882 /nfs/dbraw/zinc/21/58/82/135215882.db2.gz IZOKIABHKVACPS-LBPRGKRZSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@@H]([NH2+]CC(C)(C)N)c1cccc(Cl)c1 ZINC000261574152 535802983 /nfs/dbraw/zinc/80/29/83/535802983.db2.gz JDOHJHKJAZIRPC-GFCCVEGCSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@H]([NH2+]CC(C)(C)N)c1cccc(Cl)c1 ZINC000261574153 135215993 /nfs/dbraw/zinc/21/59/93/135215993.db2.gz JDOHJHKJAZIRPC-LBPRGKRZSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(Cl)cc1 ZINC000261577045 135218816 /nfs/dbraw/zinc/21/88/16/135218816.db2.gz KVIHUHDOWUQYRX-BREBYQMCSA-N 1 3 240.778 3.116 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(Cl)cc1 ZINC000261577046 135218231 /nfs/dbraw/zinc/21/82/31/135218231.db2.gz KVIHUHDOWUQYRX-CWSCBRNRSA-N 1 3 240.778 3.116 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(Cl)cc1 ZINC000261577047 135218572 /nfs/dbraw/zinc/21/85/72/135218572.db2.gz KVIHUHDOWUQYRX-KWBADKCTSA-N 1 3 240.778 3.116 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(Cl)cc1 ZINC000261577048 135218769 /nfs/dbraw/zinc/21/87/69/135218769.db2.gz KVIHUHDOWUQYRX-NRUUGDAUSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(C(C)(C)C)cc1 ZINC000261592501 135232487 /nfs/dbraw/zinc/23/24/87/135232487.db2.gz YNAQHBHVPOBMAV-GFCCVEGCSA-N 1 3 248.414 3.372 20 0 BGADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(C(C)(C)C)cc1 ZINC000261592502 135232522 /nfs/dbraw/zinc/23/25/22/135232522.db2.gz YNAQHBHVPOBMAV-LBPRGKRZSA-N 1 3 248.414 3.372 20 0 BGADHO CN(C[C@@]1(C)CC[NH2+]C1)C1CCCCCCC1 ZINC000261687698 135246074 /nfs/dbraw/zinc/24/60/74/135246074.db2.gz ATIRDLXGNKGGTC-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CN(C[C@]1(C)CC[NH2+]C1)C1CCCCCCC1 ZINC000261687700 135245889 /nfs/dbraw/zinc/24/58/89/135245889.db2.gz ATIRDLXGNKGGTC-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@@H]1CCN(CC(C)(C)[NH3+])CC12CCCCC2 ZINC000261829611 135256033 /nfs/dbraw/zinc/25/60/33/135256033.db2.gz IYYKFFPMIDARLR-CYBMUJFWSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1CCN(CC(C)(C)[NH3+])CC12CCCCC2 ZINC000261829615 135255789 /nfs/dbraw/zinc/25/57/89/135255789.db2.gz IYYKFFPMIDARLR-ZDUSSCGKSA-N 1 3 238.419 3.016 20 0 BGADHO C[NH+](C)CCCN[C@@H](c1ccccc1)C1CCC1 ZINC000269663105 538920660 /nfs/dbraw/zinc/92/06/60/538920660.db2.gz KEROVCAOAWRTRG-INIZCTEOSA-N 1 3 246.398 3.069 20 0 BGADHO C[NH+](C)CCCN[C@H](c1ccccc1)C1CCC1 ZINC000269663108 538920744 /nfs/dbraw/zinc/92/07/44/538920744.db2.gz KEROVCAOAWRTRG-MRXNPFEDSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1 ZINC000271637999 385843529 /nfs/dbraw/zinc/84/35/29/385843529.db2.gz GPNVIQCXBFXBGH-CVEARBPZSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000271637999 385843525 /nfs/dbraw/zinc/84/35/25/385843525.db2.gz GPNVIQCXBFXBGH-CVEARBPZSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000271637999 385843521 /nfs/dbraw/zinc/84/35/21/385843521.db2.gz GPNVIQCXBFXBGH-CVEARBPZSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1 ZINC000271638003 385844112 /nfs/dbraw/zinc/84/41/12/385844112.db2.gz GPNVIQCXBFXBGH-HOTGVXAUSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000271638003 385844107 /nfs/dbraw/zinc/84/41/07/385844107.db2.gz GPNVIQCXBFXBGH-HOTGVXAUSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000271638003 385844102 /nfs/dbraw/zinc/84/41/02/385844102.db2.gz GPNVIQCXBFXBGH-HOTGVXAUSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1 ZINC000271638007 385844674 /nfs/dbraw/zinc/84/46/74/385844674.db2.gz GPNVIQCXBFXBGH-HZPDHXFCSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000271638007 385844669 /nfs/dbraw/zinc/84/46/69/385844669.db2.gz GPNVIQCXBFXBGH-HZPDHXFCSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000271638007 385844664 /nfs/dbraw/zinc/84/46/64/385844664.db2.gz GPNVIQCXBFXBGH-HZPDHXFCSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1 ZINC000271638011 385843180 /nfs/dbraw/zinc/84/31/80/385843180.db2.gz GPNVIQCXBFXBGH-JKSUJKDBSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000271638011 385843175 /nfs/dbraw/zinc/84/31/75/385843175.db2.gz GPNVIQCXBFXBGH-JKSUJKDBSA-N 1 3 246.398 3.212 20 0 BGADHO CC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000271638011 385843172 /nfs/dbraw/zinc/84/31/72/385843172.db2.gz GPNVIQCXBFXBGH-JKSUJKDBSA-N 1 3 246.398 3.212 20 0 BGADHO C[C@H](CC[NH+](C)C)N[C@H]1C[C@@H](C)c2ccccc21 ZINC000274394255 389046714 /nfs/dbraw/zinc/04/67/14/389046714.db2.gz QNCDZKGNDOSYGB-IOASZLSFSA-N 1 3 246.398 3.165 20 0 BGADHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H](C)c2ccccc21 ZINC000274394257 177333641 /nfs/dbraw/zinc/33/36/41/177333641.db2.gz QNCDZKGNDOSYGB-WOSRLPQWSA-N 1 3 246.398 3.165 20 0 BGADHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000274394258 389046183 /nfs/dbraw/zinc/04/61/83/389046183.db2.gz QNCDZKGNDOSYGB-XJKCOSOUSA-N 1 3 246.398 3.165 20 0 BGADHO C[C@H](CC[NH+](C)C)N[C@H]1C[C@H](C)c2ccccc21 ZINC000274394260 177371371 /nfs/dbraw/zinc/37/13/71/177371371.db2.gz QNCDZKGNDOSYGB-ZENOOKHLSA-N 1 3 246.398 3.165 20 0 BGADHO Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC000274832533 178155305 /nfs/dbraw/zinc/15/53/05/178155305.db2.gz SUUVGSUZTNWWKO-UHFFFAOYSA-N 1 3 247.386 3.065 20 0 BGADHO C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277264146 177039366 /nfs/dbraw/zinc/03/93/66/177039366.db2.gz RDXFPDJLBFKHPC-GDBMZVCRSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277264146 177039365 /nfs/dbraw/zinc/03/93/65/177039365.db2.gz RDXFPDJLBFKHPC-GDBMZVCRSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@H](c1ccccc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277264146 177039363 /nfs/dbraw/zinc/03/93/63/177039363.db2.gz RDXFPDJLBFKHPC-GDBMZVCRSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277264149 176021658 /nfs/dbraw/zinc/02/16/58/176021658.db2.gz RDXFPDJLBFKHPC-GOEBONIOSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277264149 176021657 /nfs/dbraw/zinc/02/16/57/176021657.db2.gz RDXFPDJLBFKHPC-GOEBONIOSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277264149 176021656 /nfs/dbraw/zinc/02/16/56/176021656.db2.gz RDXFPDJLBFKHPC-GOEBONIOSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277264153 176022161 /nfs/dbraw/zinc/02/21/61/176022161.db2.gz RDXFPDJLBFKHPC-HOCLYGCPSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277264153 176022160 /nfs/dbraw/zinc/02/21/60/176022160.db2.gz RDXFPDJLBFKHPC-HOCLYGCPSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@@H](c1ccccc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277264153 176022158 /nfs/dbraw/zinc/02/21/58/176022158.db2.gz RDXFPDJLBFKHPC-HOCLYGCPSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277264155 177038465 /nfs/dbraw/zinc/03/84/65/177038465.db2.gz RDXFPDJLBFKHPC-ZBFHGGJFSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277264155 177038463 /nfs/dbraw/zinc/03/84/63/177038463.db2.gz RDXFPDJLBFKHPC-ZBFHGGJFSA-N 1 3 246.398 3.164 20 0 BGADHO C[C@H](c1ccccc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277264155 177038462 /nfs/dbraw/zinc/03/84/62/177038462.db2.gz RDXFPDJLBFKHPC-ZBFHGGJFSA-N 1 3 246.398 3.164 20 0 BGADHO C/C(=C\c1ccccc1)CN[C@H](C)CC[NH+](C)C ZINC000281862312 188385011 /nfs/dbraw/zinc/38/50/11/188385011.db2.gz CBTHHLUUVBTFQW-OKFGHLOFSA-N 1 3 246.398 3.020 20 0 BGADHO C/C(=C\c1ccccc1)CN[C@@H](C)CC[NH+](C)C ZINC000281862314 188384298 /nfs/dbraw/zinc/38/42/98/188384298.db2.gz CBTHHLUUVBTFQW-ZQHYZAEZSA-N 1 3 246.398 3.020 20 0 BGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000284398505 385866943 /nfs/dbraw/zinc/86/69/43/385866943.db2.gz POBURBIYLFIXGH-HNNXBMFYSA-N 1 3 246.398 3.026 20 0 BGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000284398509 385865761 /nfs/dbraw/zinc/86/57/61/385865761.db2.gz POBURBIYLFIXGH-OAHLLOKOSA-N 1 3 246.398 3.026 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300368228 352560798 /nfs/dbraw/zinc/56/07/98/352560798.db2.gz PPVPYQOADUKQEJ-IHRRRGAJSA-N 1 3 226.408 3.205 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300368229 352560731 /nfs/dbraw/zinc/56/07/31/352560731.db2.gz PPVPYQOADUKQEJ-MELADBBJSA-N 1 3 226.408 3.205 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000300409273 387520502 /nfs/dbraw/zinc/52/05/02/387520502.db2.gz SWNRSPQJRMCYRQ-FICVDOATSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000300409274 188254379 /nfs/dbraw/zinc/25/43/79/188254379.db2.gz SWNRSPQJRMCYRQ-KBPBESRZSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000300411772 387206897 /nfs/dbraw/zinc/20/68/97/387206897.db2.gz PYIIBGTZNNLQMQ-FICVDOATSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000300411773 187222711 /nfs/dbraw/zinc/22/27/11/187222711.db2.gz PYIIBGTZNNLQMQ-ZIAGYGMSSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000300411901 187353851 /nfs/dbraw/zinc/35/38/51/187353851.db2.gz BYFOUTBLWWARAE-GJZGRUSLSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)N(C)CCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000300411902 387207340 /nfs/dbraw/zinc/20/73/40/387207340.db2.gz BYFOUTBLWWARAE-LSDHHAIUSA-N 1 3 240.435 3.133 20 0 BGADHO CCC[C@H](CC)[NH2+]CCCN1CCCC[C@H]1C ZINC000300414305 528105376 /nfs/dbraw/zinc/10/53/76/528105376.db2.gz JRNXJDIOLBSRBV-CABCVRRESA-N 1 3 240.435 3.419 20 0 BGADHO CCC[C@@H](CC)[NH2+]CCCN1CCCC[C@H]1C ZINC000300414306 528923321 /nfs/dbraw/zinc/92/33/21/528923321.db2.gz JRNXJDIOLBSRBV-HUUCEWRRSA-N 1 3 240.435 3.419 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000300418603 387207676 /nfs/dbraw/zinc/20/76/76/387207676.db2.gz XFCONBUHJORFOI-KFWWJZLASA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000300418604 387208175 /nfs/dbraw/zinc/20/81/75/387208175.db2.gz XFCONBUHJORFOI-RBSFLKMASA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000300419451 187385170 /nfs/dbraw/zinc/38/51/70/187385170.db2.gz WTYOSWLPCHXGQZ-KFWWJZLASA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000300419452 188075403 /nfs/dbraw/zinc/07/54/03/188075403.db2.gz WTYOSWLPCHXGQZ-RBSFLKMASA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300425454 387520470 /nfs/dbraw/zinc/52/04/70/387520470.db2.gz YVRJTABCEYVLIL-KGLIPLIRSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300425455 387520545 /nfs/dbraw/zinc/52/05/45/387520545.db2.gz YVRJTABCEYVLIL-ZIAGYGMSSA-N 1 3 240.435 3.131 20 0 BGADHO CN(CCCC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000302269829 385506990 /nfs/dbraw/zinc/50/69/90/385506990.db2.gz GYZGNTPHLMIJNZ-PBWFPOADSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H](C[NH2+]CCCN1CCCCC1)C(C)(C)C ZINC000302364763 487958416 /nfs/dbraw/zinc/95/84/16/487958416.db2.gz BSMNFMRALSDZMQ-AWEZNQCLSA-N 1 3 240.435 3.134 20 0 BGADHO C[C@H](C[NH2+]CCCN1CCCCC1)C(C)(C)C ZINC000302364764 487958470 /nfs/dbraw/zinc/95/84/70/487958470.db2.gz BSMNFMRALSDZMQ-CQSZACIVSA-N 1 3 240.435 3.134 20 0 BGADHO Cc1cc(N[C@@H](C)C[NH+]2CCCCCC2)ccn1 ZINC000302444614 178178369 /nfs/dbraw/zinc/17/83/69/178178369.db2.gz MPKNWOJEHJCTAC-AWEZNQCLSA-N 1 3 247.386 3.066 20 0 BGADHO Cc1cc(N[C@H](C)C[NH+]2CCCCCC2)ccn1 ZINC000302444615 178186610 /nfs/dbraw/zinc/18/66/10/178186610.db2.gz MPKNWOJEHJCTAC-CQSZACIVSA-N 1 3 247.386 3.066 20 0 BGADHO CC[C@H]1CCCC[N@H+]1CCNc1ccnc(C)c1 ZINC000302551382 386927485 /nfs/dbraw/zinc/92/74/85/386927485.db2.gz IJWYBRNGGBWJJY-HNNXBMFYSA-N 1 3 247.386 3.066 20 0 BGADHO CC[C@H]1CCCC[N@@H+]1CCNc1ccnc(C)c1 ZINC000302551382 386927480 /nfs/dbraw/zinc/92/74/80/386927480.db2.gz IJWYBRNGGBWJJY-HNNXBMFYSA-N 1 3 247.386 3.066 20 0 BGADHO CC[C@@H]1CCCC[N@H+]1CCNc1ccnc(C)c1 ZINC000302551383 356620362 /nfs/dbraw/zinc/62/03/62/356620362.db2.gz IJWYBRNGGBWJJY-OAHLLOKOSA-N 1 3 247.386 3.066 20 0 BGADHO CC[C@@H]1CCCC[N@@H+]1CCNc1ccnc(C)c1 ZINC000302551383 356620356 /nfs/dbraw/zinc/62/03/56/356620356.db2.gz IJWYBRNGGBWJJY-OAHLLOKOSA-N 1 3 247.386 3.066 20 0 BGADHO C[C@H](NCCC(C)(C)[NH3+])c1cccc(Cl)c1 ZINC000304535618 644915483 /nfs/dbraw/zinc/91/54/83/644915483.db2.gz CJTBGNFDUPWWQB-JTQLQIEISA-N 1 3 240.778 3.118 20 0 BGADHO C[C@@H](NCCC(C)(C)[NH3+])c1cccc(Cl)c1 ZINC000304535620 644915629 /nfs/dbraw/zinc/91/56/29/644915629.db2.gz CJTBGNFDUPWWQB-SNVBAGLBSA-N 1 3 240.778 3.118 20 0 BGADHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000304629331 643136303 /nfs/dbraw/zinc/13/63/03/643136303.db2.gz QJUONVWLGSZMCG-JTQLQIEISA-N 1 3 240.778 3.118 20 0 BGADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000304629334 643138550 /nfs/dbraw/zinc/13/85/50/643138550.db2.gz QJUONVWLGSZMCG-SNVBAGLBSA-N 1 3 240.778 3.118 20 0 BGADHO Cc1cc([C@H](C)NCCC(C)(C)[NH3+])c(C)s1 ZINC000304654744 635945529 /nfs/dbraw/zinc/94/55/29/635945529.db2.gz VCFGCRCLODNLHE-JTQLQIEISA-N 1 3 240.416 3.143 20 0 BGADHO Cc1cc([C@@H](C)NCCC(C)(C)[NH3+])c(C)s1 ZINC000304654745 644923860 /nfs/dbraw/zinc/92/38/60/644923860.db2.gz VCFGCRCLODNLHE-SNVBAGLBSA-N 1 3 240.416 3.143 20 0 BGADHO CC(C)(C)CCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000305450852 490458580 /nfs/dbraw/zinc/45/85/80/490458580.db2.gz NCZLMFDMLLDJCM-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305450852 490458575 /nfs/dbraw/zinc/45/85/75/490458575.db2.gz NCZLMFDMLLDJCM-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305450852 490458570 /nfs/dbraw/zinc/45/85/70/490458570.db2.gz NCZLMFDMLLDJCM-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000305451242 490458770 /nfs/dbraw/zinc/45/87/70/490458770.db2.gz NCZLMFDMLLDJCM-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305451242 490458768 /nfs/dbraw/zinc/45/87/68/490458768.db2.gz NCZLMFDMLLDJCM-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305451242 490458763 /nfs/dbraw/zinc/45/87/63/490458763.db2.gz NCZLMFDMLLDJCM-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)C[C@H](C)C[NH2+]CCCN1CCCCC1 ZINC000305992454 384456325 /nfs/dbraw/zinc/45/63/25/384456325.db2.gz TUINCSBUIPYFEK-HNNXBMFYSA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)C[C@@H](C)C[NH2+]CCCN1CCCCC1 ZINC000305992455 384457349 /nfs/dbraw/zinc/45/73/49/384457349.db2.gz TUINCSBUIPYFEK-OAHLLOKOSA-N 1 3 240.435 3.134 20 0 BGADHO C[C@H](CCC[NH3+])N[C@@H](C)c1ccccc1Cl ZINC000309452374 176909473 /nfs/dbraw/zinc/90/94/73/176909473.db2.gz QGCDMSGRJOSHLT-MNOVXSKESA-N 1 3 240.778 3.118 20 0 BGADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ccccc1Cl ZINC000309452377 385585543 /nfs/dbraw/zinc/58/55/43/385585543.db2.gz QGCDMSGRJOSHLT-QWRGUYRKSA-N 1 3 240.778 3.118 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H](C)C(C)C ZINC000310038351 384598971 /nfs/dbraw/zinc/59/89/71/384598971.db2.gz VZHKRGNWCHAIBU-AWEZNQCLSA-N 1 3 228.424 3.133 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@H](C)C(C)C ZINC000310038352 384596891 /nfs/dbraw/zinc/59/68/91/384596891.db2.gz VZHKRGNWCHAIBU-CQSZACIVSA-N 1 3 228.424 3.133 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+]C[C@H](C)CN(C)C ZINC000310098888 384632145 /nfs/dbraw/zinc/63/21/45/384632145.db2.gz ATOCDRGVDXUXTN-AWEZNQCLSA-N 1 3 242.451 3.235 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+]C[C@@H](C)CN(C)C ZINC000310098889 384632671 /nfs/dbraw/zinc/63/26/71/384632671.db2.gz ATOCDRGVDXUXTN-CQSZACIVSA-N 1 3 242.451 3.235 20 0 BGADHO Cc1ccc([C@@H](C)NCCC(C)(C)[NH3+])c(C)c1 ZINC000310176035 632705644 /nfs/dbraw/zinc/70/56/44/632705644.db2.gz VMKZXIUEXQEQAQ-CYBMUJFWSA-N 1 3 234.387 3.081 20 0 BGADHO Cc1ccc([C@H](C)NCCC(C)(C)[NH3+])c(C)c1 ZINC000310176037 632705401 /nfs/dbraw/zinc/70/54/01/632705401.db2.gz VMKZXIUEXQEQAQ-ZDUSSCGKSA-N 1 3 234.387 3.081 20 0 BGADHO CCC[C@H](NCCC(C)(C)[NH3+])c1ccccc1 ZINC000310178465 636005468 /nfs/dbraw/zinc/00/54/68/636005468.db2.gz WHOVCMMWDWDSJR-AWEZNQCLSA-N 1 3 234.387 3.245 20 0 BGADHO CCC[C@@H](NCCC(C)(C)[NH3+])c1ccccc1 ZINC000310178466 636005831 /nfs/dbraw/zinc/00/58/31/636005831.db2.gz WHOVCMMWDWDSJR-CQSZACIVSA-N 1 3 234.387 3.245 20 0 BGADHO CC1(C)CC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000310367615 167889588 /nfs/dbraw/zinc/88/95/88/167889588.db2.gz MQMUTGTZWAUMGH-GFCCVEGCSA-N 1 3 238.419 3.074 20 0 BGADHO CC1(C)CC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000310367619 385015496 /nfs/dbraw/zinc/01/54/96/385015496.db2.gz MQMUTGTZWAUMGH-LBPRGKRZSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@H]1CCCCN1CCC[NH2+]CC1(C)CCC1 ZINC000310431694 491161486 /nfs/dbraw/zinc/16/14/86/491161486.db2.gz QHKDNWWDWXBEOA-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@@H]1CCCCN1CCC[NH2+]CC1(C)CCC1 ZINC000310431697 491161483 /nfs/dbraw/zinc/16/14/83/491161483.db2.gz QHKDNWWDWXBEOA-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CC(C)C[C@H]([NH2+]CC(C)(C)N)c1ccccc1 ZINC000310445092 188348760 /nfs/dbraw/zinc/34/87/60/188348760.db2.gz WTFOVZOVKVVNNR-AWEZNQCLSA-N 1 3 234.387 3.101 20 0 BGADHO CC(C)C[C@@H]([NH2+]CC(C)(C)N)c1ccccc1 ZINC000310445093 385068463 /nfs/dbraw/zinc/06/84/63/385068463.db2.gz WTFOVZOVKVVNNR-CQSZACIVSA-N 1 3 234.387 3.101 20 0 BGADHO C[C@H]1C[C@H]([NH3+])CCN1CC1CCC(C)(C)CC1 ZINC000310499461 259383473 /nfs/dbraw/zinc/38/34/73/259383473.db2.gz IWCVYOIYHWLFCP-GXTWGEPZSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000310499461 259383471 /nfs/dbraw/zinc/38/34/71/259383471.db2.gz IWCVYOIYHWLFCP-GXTWGEPZSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000310499461 259383470 /nfs/dbraw/zinc/38/34/70/259383470.db2.gz IWCVYOIYHWLFCP-GXTWGEPZSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@H]1C[C@@H]([NH3+])CCN1CC1CCC(C)(C)CC1 ZINC000310499462 259344679 /nfs/dbraw/zinc/34/46/79/259344679.db2.gz IWCVYOIYHWLFCP-JSGCOSHPSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000310499462 259344678 /nfs/dbraw/zinc/34/46/78/259344678.db2.gz IWCVYOIYHWLFCP-JSGCOSHPSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000310499462 259344676 /nfs/dbraw/zinc/34/46/76/259344676.db2.gz IWCVYOIYHWLFCP-JSGCOSHPSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1CCC(C)(C)CC1 ZINC000310499463 259344589 /nfs/dbraw/zinc/34/45/89/259344589.db2.gz IWCVYOIYHWLFCP-OCCSQVGLSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000310499463 259344588 /nfs/dbraw/zinc/34/45/88/259344588.db2.gz IWCVYOIYHWLFCP-OCCSQVGLSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000310499463 259344587 /nfs/dbraw/zinc/34/45/87/259344587.db2.gz IWCVYOIYHWLFCP-OCCSQVGLSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H]([NH3+])CCN1CC1CCC(C)(C)CC1 ZINC000310499464 259344323 /nfs/dbraw/zinc/34/43/23/259344323.db2.gz IWCVYOIYHWLFCP-TZMCWYRMSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000310499464 259344321 /nfs/dbraw/zinc/34/43/21/259344321.db2.gz IWCVYOIYHWLFCP-TZMCWYRMSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000310499464 259344319 /nfs/dbraw/zinc/34/43/19/259344319.db2.gz IWCVYOIYHWLFCP-TZMCWYRMSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H](NC[C@@H](C)C[NH+](C)C)c1ccc(C)cc1 ZINC000310813781 385180978 /nfs/dbraw/zinc/18/09/78/385180978.db2.gz GGWFYNIILWTQOA-GDBMZVCRSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(C)cc1 ZINC000310813781 385180973 /nfs/dbraw/zinc/18/09/73/385180973.db2.gz GGWFYNIILWTQOA-GDBMZVCRSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@@H](NC[C@H](C)C[NH+](C)C)c1ccc(C)cc1 ZINC000310813782 385181429 /nfs/dbraw/zinc/18/14/29/385181429.db2.gz GGWFYNIILWTQOA-GOEBONIOSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(C)cc1 ZINC000310813782 385181423 /nfs/dbraw/zinc/18/14/23/385181423.db2.gz GGWFYNIILWTQOA-GOEBONIOSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@H](NC[C@H](C)C[NH+](C)C)c1ccc(C)cc1 ZINC000310813783 385180658 /nfs/dbraw/zinc/18/06/58/385180658.db2.gz GGWFYNIILWTQOA-HOCLYGCPSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(C)cc1 ZINC000310813783 385180654 /nfs/dbraw/zinc/18/06/54/385180654.db2.gz GGWFYNIILWTQOA-HOCLYGCPSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@H](NC[C@@H](C)C[NH+](C)C)c1ccc(C)cc1 ZINC000310813784 385179811 /nfs/dbraw/zinc/17/98/11/385179811.db2.gz GGWFYNIILWTQOA-ZBFHGGJFSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(C)cc1 ZINC000310813784 385179809 /nfs/dbraw/zinc/17/98/09/385179809.db2.gz GGWFYNIILWTQOA-ZBFHGGJFSA-N 1 3 248.414 3.233 20 0 BGADHO CCc1ccc([C@@H]([NH2+]C[C@@H](C)CN)C(C)C)cc1 ZINC000310902371 347326016 /nfs/dbraw/zinc/32/60/16/347326016.db2.gz BGFMKGNRYKMKRY-BBRMVZONSA-N 1 3 248.414 3.131 20 0 BGADHO CCc1ccc([C@@H](NC[C@@H](C)C[NH3+])C(C)C)cc1 ZINC000310902371 347326015 /nfs/dbraw/zinc/32/60/15/347326015.db2.gz BGFMKGNRYKMKRY-BBRMVZONSA-N 1 3 248.414 3.131 20 0 BGADHO CCc1ccc([C@@H]([NH2+]C[C@H](C)CN)C(C)C)cc1 ZINC000310902375 347325633 /nfs/dbraw/zinc/32/56/33/347325633.db2.gz BGFMKGNRYKMKRY-CJNGLKHVSA-N 1 3 248.414 3.131 20 0 BGADHO CCc1ccc([C@@H](NC[C@H](C)C[NH3+])C(C)C)cc1 ZINC000310902375 347325628 /nfs/dbraw/zinc/32/56/28/347325628.db2.gz BGFMKGNRYKMKRY-CJNGLKHVSA-N 1 3 248.414 3.131 20 0 BGADHO CCc1ccc([C@H]([NH2+]C[C@H](C)CN)C(C)C)cc1 ZINC000310902379 347325679 /nfs/dbraw/zinc/32/56/79/347325679.db2.gz BGFMKGNRYKMKRY-CZUORRHYSA-N 1 3 248.414 3.131 20 0 BGADHO CCc1ccc([C@H](NC[C@H](C)C[NH3+])C(C)C)cc1 ZINC000310902379 347325674 /nfs/dbraw/zinc/32/56/74/347325674.db2.gz BGFMKGNRYKMKRY-CZUORRHYSA-N 1 3 248.414 3.131 20 0 BGADHO CCc1ccc([C@H]([NH2+]C[C@@H](C)CN)C(C)C)cc1 ZINC000310902382 347325945 /nfs/dbraw/zinc/32/59/45/347325945.db2.gz BGFMKGNRYKMKRY-XJKSGUPXSA-N 1 3 248.414 3.131 20 0 BGADHO CCc1ccc([C@H](NC[C@@H](C)C[NH3+])C(C)C)cc1 ZINC000310902382 347325943 /nfs/dbraw/zinc/32/59/43/347325943.db2.gz BGFMKGNRYKMKRY-XJKSGUPXSA-N 1 3 248.414 3.131 20 0 BGADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1cccc(C)c1 ZINC000310908009 347326041 /nfs/dbraw/zinc/32/60/41/347326041.db2.gz GMQHOJRQIQCQTI-GDBMZVCRSA-N 1 3 248.414 3.376 20 0 BGADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc(C)c1 ZINC000310908011 347325496 /nfs/dbraw/zinc/32/54/96/347325496.db2.gz GMQHOJRQIQCQTI-GOEBONIOSA-N 1 3 248.414 3.376 20 0 BGADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1cccc(C)c1 ZINC000310908013 347325696 /nfs/dbraw/zinc/32/56/96/347325696.db2.gz GMQHOJRQIQCQTI-HOCLYGCPSA-N 1 3 248.414 3.376 20 0 BGADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1cccc(C)c1 ZINC000310908015 347326032 /nfs/dbraw/zinc/32/60/32/347326032.db2.gz GMQHOJRQIQCQTI-ZBFHGGJFSA-N 1 3 248.414 3.376 20 0 BGADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000310958900 385255015 /nfs/dbraw/zinc/25/50/15/385255015.db2.gz NQDOAXAMDBVSHB-CHWSQXEVSA-N 1 3 248.414 3.230 20 0 BGADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000310958906 385255644 /nfs/dbraw/zinc/25/56/44/385255644.db2.gz NQDOAXAMDBVSHB-OLZOCXBDSA-N 1 3 248.414 3.230 20 0 BGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000310958913 385254220 /nfs/dbraw/zinc/25/42/20/385254220.db2.gz NQDOAXAMDBVSHB-QWHCGFSZSA-N 1 3 248.414 3.230 20 0 BGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000310958919 385254583 /nfs/dbraw/zinc/25/45/83/385254583.db2.gz NQDOAXAMDBVSHB-STQMWFEESA-N 1 3 248.414 3.230 20 0 BGADHO C[C@H](CCCC[NH3+])NCc1ccsc1Cl ZINC000312766539 322924373 /nfs/dbraw/zinc/92/43/73/322924373.db2.gz GKXBDXROGRBBOO-SECBINFHSA-N 1 3 246.807 3.009 20 0 BGADHO C[C@@H](CCCC[NH3+])NCc1ccsc1Cl ZINC000312766544 384481444 /nfs/dbraw/zinc/48/14/44/384481444.db2.gz GKXBDXROGRBBOO-VIFPVBQESA-N 1 3 246.807 3.009 20 0 BGADHO CCC[C@H]([NH2+]CCCN1CCCC1)C1CCC1 ZINC000322521231 388437318 /nfs/dbraw/zinc/43/73/18/388437318.db2.gz JKQKJBHVSVNUMD-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CCC[C@@H]([NH2+]CCCN1CCCC1)C1CCC1 ZINC000322521232 388437040 /nfs/dbraw/zinc/43/70/40/388437040.db2.gz JKQKJBHVSVNUMD-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CCC[C@H]([NH2+]CCCN(C)C(C)C)C1CCC1 ZINC000322879711 388449257 /nfs/dbraw/zinc/44/92/57/388449257.db2.gz YINGVWVGPWPYKN-HNNXBMFYSA-N 1 3 240.435 3.275 20 0 BGADHO CCC[C@@H]([NH2+]CCCN(C)C(C)C)C1CCC1 ZINC000322879712 388449378 /nfs/dbraw/zinc/44/93/78/388449378.db2.gz YINGVWVGPWPYKN-OAHLLOKOSA-N 1 3 240.435 3.275 20 0 BGADHO Cc1cccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)c1C ZINC000335025980 135867556 /nfs/dbraw/zinc/86/75/56/135867556.db2.gz XLGUNBUIFUZPBV-CABCVRRESA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CCC[NH2+]CC2)c1C ZINC000335025981 387118233 /nfs/dbraw/zinc/11/82/33/387118233.db2.gz XLGUNBUIFUZPBV-GJZGRUSLSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)c1C ZINC000335025983 387118244 /nfs/dbraw/zinc/11/82/44/387118244.db2.gz XLGUNBUIFUZPBV-HUUCEWRRSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)c1C ZINC000335025984 387118083 /nfs/dbraw/zinc/11/80/83/387118083.db2.gz XLGUNBUIFUZPBV-LSDHHAIUSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cccc(C)c1[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000335041116 179049507 /nfs/dbraw/zinc/04/95/07/179049507.db2.gz PMXFARNVXWJYGF-CABCVRRESA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000335041126 385934084 /nfs/dbraw/zinc/93/40/84/385934084.db2.gz PMXFARNVXWJYGF-GJZGRUSLSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cccc(C)c1[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000335041135 385932706 /nfs/dbraw/zinc/93/27/06/385932706.db2.gz PMXFARNVXWJYGF-HUUCEWRRSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000335041145 385934059 /nfs/dbraw/zinc/93/40/59/385934059.db2.gz PMXFARNVXWJYGF-LSDHHAIUSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1C ZINC000335222583 355063124 /nfs/dbraw/zinc/06/31/24/355063124.db2.gz ZSMWMSSBIXNQAY-GDBMZVCRSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1C ZINC000335222585 355063438 /nfs/dbraw/zinc/06/34/38/355063438.db2.gz ZSMWMSSBIXNQAY-GOEBONIOSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+]CC2)cc1C ZINC000335222587 355063443 /nfs/dbraw/zinc/06/34/43/355063443.db2.gz ZSMWMSSBIXNQAY-HOCLYGCPSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1C ZINC000335222589 355063104 /nfs/dbraw/zinc/06/31/04/355063104.db2.gz ZSMWMSSBIXNQAY-ZBFHGGJFSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cc(C)c([C@H](C)[NH2+]C2CCNCC2)cc1C ZINC000335570068 136109047 /nfs/dbraw/zinc/10/90/47/136109047.db2.gz YVPOLVHAMNMDAJ-AWEZNQCLSA-N 1 3 246.398 3.014 20 0 BGADHO Cc1cc(C)c([C@@H](C)[NH2+]C2CCNCC2)cc1C ZINC000335570069 136109421 /nfs/dbraw/zinc/10/94/21/136109421.db2.gz YVPOLVHAMNMDAJ-CQSZACIVSA-N 1 3 246.398 3.014 20 0 BGADHO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)N)c2sccc21 ZINC000335597008 136105115 /nfs/dbraw/zinc/10/51/15/136105115.db2.gz GJILOOUQVYHWQF-GXSJLCMTSA-N 1 3 238.400 3.013 20 0 BGADHO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)N)c2sccc21 ZINC000335597009 136105132 /nfs/dbraw/zinc/10/51/32/136105132.db2.gz GJILOOUQVYHWQF-KOLCDFICSA-N 1 3 238.400 3.013 20 0 BGADHO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)N)c2sccc21 ZINC000335597010 136105283 /nfs/dbraw/zinc/10/52/83/136105283.db2.gz GJILOOUQVYHWQF-MWLCHTKSSA-N 1 3 238.400 3.013 20 0 BGADHO C[C@H]1CC[C@H]([NH2+]CC(C)(C)N)c2sccc21 ZINC000335597011 136105173 /nfs/dbraw/zinc/10/51/73/136105173.db2.gz GJILOOUQVYHWQF-ONGXEEELSA-N 1 3 238.400 3.013 20 0 BGADHO Cc1cc(C)cc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000335619642 136296791 /nfs/dbraw/zinc/29/67/91/136296791.db2.gz VYVNNNFJVJALJC-GDBMZVCRSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000335619643 136296933 /nfs/dbraw/zinc/29/69/33/136296933.db2.gz VYVNNNFJVJALJC-GOEBONIOSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000335619644 136296989 /nfs/dbraw/zinc/29/69/89/136296989.db2.gz VYVNNNFJVJALJC-HOCLYGCPSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cc(C)cc([C@@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000335619645 136296890 /nfs/dbraw/zinc/29/68/90/136296890.db2.gz VYVNNNFJVJALJC-ZBFHGGJFSA-N 1 3 246.398 3.096 20 0 BGADHO CN(CC1=CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336262622 387097517 /nfs/dbraw/zinc/09/75/17/387097517.db2.gz WWBBUDZRIFAJKX-XYPWUTKMSA-N 1 3 248.414 3.044 20 0 BGADHO CN(CC1=CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336262622 387097511 /nfs/dbraw/zinc/09/75/11/387097511.db2.gz WWBBUDZRIFAJKX-XYPWUTKMSA-N 1 3 248.414 3.044 20 0 BGADHO CC1(C[N@@H+](CCCN)Cc2ccccc2)CCC1 ZINC000336657260 487716276 /nfs/dbraw/zinc/71/62/76/487716276.db2.gz PNDZSPWADQHWHJ-UHFFFAOYSA-N 1 3 246.398 3.028 20 0 BGADHO CC1(C[N@H+](CCCN)Cc2ccccc2)CCC1 ZINC000336657260 487716271 /nfs/dbraw/zinc/71/62/71/487716271.db2.gz PNDZSPWADQHWHJ-UHFFFAOYSA-N 1 3 246.398 3.028 20 0 BGADHO CC1(CN(CCC[NH3+])Cc2ccccc2)CCC1 ZINC000336657260 487716265 /nfs/dbraw/zinc/71/62/65/487716265.db2.gz PNDZSPWADQHWHJ-UHFFFAOYSA-N 1 3 246.398 3.028 20 0 BGADHO C[C@H](CCC[NH3+])N[C@H](C)c1ccccc1Cl ZINC000336666820 386775174 /nfs/dbraw/zinc/77/51/74/386775174.db2.gz QGCDMSGRJOSHLT-GHMZBOCLSA-N 1 3 240.778 3.118 20 0 BGADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1ccccc1Cl ZINC000336666836 386774401 /nfs/dbraw/zinc/77/44/01/386774401.db2.gz QGCDMSGRJOSHLT-WDEREUQCSA-N 1 3 240.778 3.118 20 0 BGADHO CCC(C)(C)C1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC000336694034 168270660 /nfs/dbraw/zinc/27/06/60/168270660.db2.gz IFLLLFCSOLZKQE-HSBZDZAISA-N 1 3 240.435 3.166 20 0 BGADHO CCC(C)(C)C1CCC([NH2+]C[C@H](C)CN)CC1 ZINC000336694060 168269904 /nfs/dbraw/zinc/26/99/04/168269904.db2.gz IFLLLFCSOLZKQE-IYXRBSQSSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)c1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336710794 167613587 /nfs/dbraw/zinc/61/35/87/167613587.db2.gz NCKOIWPTHIZRTR-CHWSQXEVSA-N 1 3 234.387 3.055 20 0 BGADHO CC(C)c1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336710801 388466491 /nfs/dbraw/zinc/46/64/91/388466491.db2.gz NCKOIWPTHIZRTR-OLZOCXBDSA-N 1 3 234.387 3.055 20 0 BGADHO CC(C)c1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336710803 388466481 /nfs/dbraw/zinc/46/64/81/388466481.db2.gz NCKOIWPTHIZRTR-QWHCGFSZSA-N 1 3 234.387 3.055 20 0 BGADHO CC(C)c1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336710804 388466162 /nfs/dbraw/zinc/46/61/62/388466162.db2.gz NCKOIWPTHIZRTR-STQMWFEESA-N 1 3 234.387 3.055 20 0 BGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCC1(C)C ZINC000336719664 177075701 /nfs/dbraw/zinc/07/57/01/177075701.db2.gz VWVGSIJOWIETAB-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC1(C)C ZINC000336719665 176072314 /nfs/dbraw/zinc/07/23/14/176072314.db2.gz VWVGSIJOWIETAB-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCC1(C)C ZINC000336719666 177076000 /nfs/dbraw/zinc/07/60/00/177076000.db2.gz VWVGSIJOWIETAB-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC1(C)C ZINC000336719667 176070480 /nfs/dbraw/zinc/07/04/80/176070480.db2.gz VWVGSIJOWIETAB-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO Cc1csc(C[NH2+][C@@H]2CC3CCC2CC3)n1 ZINC000336741725 188345938 /nfs/dbraw/zinc/34/59/38/188345938.db2.gz RIVSHWAOQOHJDO-HTAVTVPLSA-N 1 3 236.384 3.120 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccccc1 ZINC000336791492 388019912 /nfs/dbraw/zinc/01/99/12/388019912.db2.gz NROVRNYACSCUIX-BMFZPTHFSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000336791492 388019908 /nfs/dbraw/zinc/01/99/08/388019908.db2.gz NROVRNYACSCUIX-BMFZPTHFSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000336791493 388020712 /nfs/dbraw/zinc/02/07/12/388020712.db2.gz NROVRNYACSCUIX-BPUTZDHNSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000336791493 388020709 /nfs/dbraw/zinc/02/07/09/388020709.db2.gz NROVRNYACSCUIX-BPUTZDHNSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000336791494 388020396 /nfs/dbraw/zinc/02/03/96/388020396.db2.gz NROVRNYACSCUIX-IMJJTQAJSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000336791494 388020393 /nfs/dbraw/zinc/02/03/93/388020393.db2.gz NROVRNYACSCUIX-IMJJTQAJSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccccc1 ZINC000336791495 388021754 /nfs/dbraw/zinc/02/17/54/388021754.db2.gz NROVRNYACSCUIX-KBMXLJTQSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000336791495 388021751 /nfs/dbraw/zinc/02/17/51/388021751.db2.gz NROVRNYACSCUIX-KBMXLJTQSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@@H](NC[C@@H](C)C[NH+](C)C)c1cccc(C)c1 ZINC000336793414 388470828 /nfs/dbraw/zinc/47/08/28/388470828.db2.gz WQFLWZVUPZZINZ-GDBMZVCRSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(C)c1 ZINC000336793414 388470827 /nfs/dbraw/zinc/47/08/27/388470827.db2.gz WQFLWZVUPZZINZ-GDBMZVCRSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@@H](NC[C@H](C)C[NH+](C)C)c1cccc(C)c1 ZINC000336793415 388471406 /nfs/dbraw/zinc/47/14/06/388471406.db2.gz WQFLWZVUPZZINZ-GOEBONIOSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C)c1 ZINC000336793415 388471404 /nfs/dbraw/zinc/47/14/04/388471404.db2.gz WQFLWZVUPZZINZ-GOEBONIOSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@H](NC[C@H](C)C[NH+](C)C)c1cccc(C)c1 ZINC000336793416 388470655 /nfs/dbraw/zinc/47/06/55/388470655.db2.gz WQFLWZVUPZZINZ-HOCLYGCPSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C)c1 ZINC000336793416 388470651 /nfs/dbraw/zinc/47/06/51/388470651.db2.gz WQFLWZVUPZZINZ-HOCLYGCPSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@H](NC[C@@H](C)C[NH+](C)C)c1cccc(C)c1 ZINC000336793417 388471312 /nfs/dbraw/zinc/47/13/12/388471312.db2.gz WQFLWZVUPZZINZ-ZBFHGGJFSA-N 1 3 248.414 3.233 20 0 BGADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(C)c1 ZINC000336793417 388471309 /nfs/dbraw/zinc/47/13/09/388471309.db2.gz WQFLWZVUPZZINZ-ZBFHGGJFSA-N 1 3 248.414 3.233 20 0 BGADHO CCC[C@@H](NC[C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000336793939 387173520 /nfs/dbraw/zinc/17/35/20/387173520.db2.gz ZBEUKJMHOVESBX-GDBMZVCRSA-N 1 3 248.414 3.315 20 0 BGADHO CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccccc1 ZINC000336793939 387173517 /nfs/dbraw/zinc/17/35/17/387173517.db2.gz ZBEUKJMHOVESBX-GDBMZVCRSA-N 1 3 248.414 3.315 20 0 BGADHO CCC[C@@H](NC[C@H](C)C[NH+](C)C)c1ccccc1 ZINC000336793940 387173982 /nfs/dbraw/zinc/17/39/82/387173982.db2.gz ZBEUKJMHOVESBX-GOEBONIOSA-N 1 3 248.414 3.315 20 0 BGADHO CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccccc1 ZINC000336793940 387173980 /nfs/dbraw/zinc/17/39/80/387173980.db2.gz ZBEUKJMHOVESBX-GOEBONIOSA-N 1 3 248.414 3.315 20 0 BGADHO CCC[C@H](NC[C@H](C)C[NH+](C)C)c1ccccc1 ZINC000336793941 387174415 /nfs/dbraw/zinc/17/44/15/387174415.db2.gz ZBEUKJMHOVESBX-HOCLYGCPSA-N 1 3 248.414 3.315 20 0 BGADHO CCC[C@H]([NH2+]C[C@H](C)CN(C)C)c1ccccc1 ZINC000336793941 387174412 /nfs/dbraw/zinc/17/44/12/387174412.db2.gz ZBEUKJMHOVESBX-HOCLYGCPSA-N 1 3 248.414 3.315 20 0 BGADHO CCC[C@H](NC[C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000336793942 387173179 /nfs/dbraw/zinc/17/31/79/387173179.db2.gz ZBEUKJMHOVESBX-ZBFHGGJFSA-N 1 3 248.414 3.315 20 0 BGADHO CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1ccccc1 ZINC000336793942 387173175 /nfs/dbraw/zinc/17/31/75/387173175.db2.gz ZBEUKJMHOVESBX-ZBFHGGJFSA-N 1 3 248.414 3.315 20 0 BGADHO CC(C)Cc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336795556 187231164 /nfs/dbraw/zinc/23/11/64/187231164.db2.gz LLHOZLSSXGIJAM-KBPBESRZSA-N 1 3 248.414 3.131 20 0 BGADHO CC(C)Cc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336795557 387218375 /nfs/dbraw/zinc/21/83/75/387218375.db2.gz LLHOZLSSXGIJAM-KGLIPLIRSA-N 1 3 248.414 3.131 20 0 BGADHO CC(C)Cc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336795558 387219145 /nfs/dbraw/zinc/21/91/45/387219145.db2.gz LLHOZLSSXGIJAM-UONOGXRCSA-N 1 3 248.414 3.131 20 0 BGADHO CC(C)Cc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336795559 387219109 /nfs/dbraw/zinc/21/91/09/387219109.db2.gz LLHOZLSSXGIJAM-ZIAGYGMSSA-N 1 3 248.414 3.131 20 0 BGADHO C[C@@H](CN)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000336795563 387218974 /nfs/dbraw/zinc/21/89/74/387218974.db2.gz LMTDIDXLRMHDNX-DZGCQCFKSA-N 1 3 248.414 3.348 20 0 BGADHO C[C@@H](C[NH3+])CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000336795563 387218971 /nfs/dbraw/zinc/21/89/71/387218971.db2.gz LMTDIDXLRMHDNX-DZGCQCFKSA-N 1 3 248.414 3.348 20 0 BGADHO C[C@H](CN)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000336795564 387218747 /nfs/dbraw/zinc/21/87/47/387218747.db2.gz LMTDIDXLRMHDNX-HIFRSBDPSA-N 1 3 248.414 3.348 20 0 BGADHO C[C@H](C[NH3+])CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000336795564 387218744 /nfs/dbraw/zinc/21/87/44/387218744.db2.gz LMTDIDXLRMHDNX-HIFRSBDPSA-N 1 3 248.414 3.348 20 0 BGADHO C[C@H](CN)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000336795565 387218571 /nfs/dbraw/zinc/21/85/71/387218571.db2.gz LMTDIDXLRMHDNX-UKRRQHHQSA-N 1 3 248.414 3.348 20 0 BGADHO C[C@H](C[NH3+])CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000336795565 387218567 /nfs/dbraw/zinc/21/85/67/387218567.db2.gz LMTDIDXLRMHDNX-UKRRQHHQSA-N 1 3 248.414 3.348 20 0 BGADHO C[C@@H](CN)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000336795566 387218735 /nfs/dbraw/zinc/21/87/35/387218735.db2.gz LMTDIDXLRMHDNX-ZFWWWQNUSA-N 1 3 248.414 3.348 20 0 BGADHO C[C@@H](C[NH3+])CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000336795566 387218731 /nfs/dbraw/zinc/21/87/31/387218731.db2.gz LMTDIDXLRMHDNX-ZFWWWQNUSA-N 1 3 248.414 3.348 20 0 BGADHO C[C@H](CN)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000336796227 387226947 /nfs/dbraw/zinc/22/69/47/387226947.db2.gz QQKVTILTBNDWIJ-CHWSQXEVSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@H](C[NH3+])CN[C@H](C)c1cccc2ccccc21 ZINC000336796227 387226941 /nfs/dbraw/zinc/22/69/41/387226941.db2.gz QQKVTILTBNDWIJ-CHWSQXEVSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@H](CN)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000336796228 387228102 /nfs/dbraw/zinc/22/81/02/387228102.db2.gz QQKVTILTBNDWIJ-OLZOCXBDSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@H](C[NH3+])CN[C@@H](C)c1cccc2ccccc21 ZINC000336796228 387228098 /nfs/dbraw/zinc/22/80/98/387228098.db2.gz QQKVTILTBNDWIJ-OLZOCXBDSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@@H]([NH2+]C[C@@H](C)CN)c1cccc2ccccc21 ZINC000336796229 387227476 /nfs/dbraw/zinc/22/74/76/387227476.db2.gz QQKVTILTBNDWIJ-QWHCGFSZSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1cccc2ccccc21 ZINC000336796229 387227470 /nfs/dbraw/zinc/22/74/70/387227470.db2.gz QQKVTILTBNDWIJ-QWHCGFSZSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@@H](CN)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000336796230 387228170 /nfs/dbraw/zinc/22/81/70/387228170.db2.gz QQKVTILTBNDWIJ-STQMWFEESA-N 1 3 242.366 3.085 20 0 BGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1cccc2ccccc21 ZINC000336796230 387228168 /nfs/dbraw/zinc/22/81/68/387228168.db2.gz QQKVTILTBNDWIJ-STQMWFEESA-N 1 3 242.366 3.085 20 0 BGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCC(C)(C)C)C1 ZINC000337133584 386621950 /nfs/dbraw/zinc/62/19/50/386621950.db2.gz AZHVVGBUZGSRDX-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CC[N@H+](C)C[C@@H]1CCN(CCCC(C)(C)C)C1 ZINC000337133584 386621944 /nfs/dbraw/zinc/62/19/44/386621944.db2.gz AZHVVGBUZGSRDX-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000337133584 386621936 /nfs/dbraw/zinc/62/19/36/386621936.db2.gz AZHVVGBUZGSRDX-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(C)C[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000337133584 386621930 /nfs/dbraw/zinc/62/19/30/386621930.db2.gz AZHVVGBUZGSRDX-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CC[N@@H+](C)C[C@H]1CCN(CCCC(C)(C)C)C1 ZINC000337133585 386619401 /nfs/dbraw/zinc/61/94/01/386619401.db2.gz AZHVVGBUZGSRDX-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CC[N@H+](C)C[C@H]1CCN(CCCC(C)(C)C)C1 ZINC000337133585 386619397 /nfs/dbraw/zinc/61/93/97/386619397.db2.gz AZHVVGBUZGSRDX-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(C)C[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000337133585 386619389 /nfs/dbraw/zinc/61/93/89/386619389.db2.gz AZHVVGBUZGSRDX-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(C)C[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000337133585 386619383 /nfs/dbraw/zinc/61/93/83/386619383.db2.gz AZHVVGBUZGSRDX-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000337206271 188185340 /nfs/dbraw/zinc/18/53/40/188185340.db2.gz MDZPLYKAGLRCEP-CABCVRRESA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000337206271 188185339 /nfs/dbraw/zinc/18/53/39/188185339.db2.gz MDZPLYKAGLRCEP-CABCVRRESA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000337206272 386666372 /nfs/dbraw/zinc/66/63/72/386666372.db2.gz MDZPLYKAGLRCEP-GJZGRUSLSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000337206272 386666365 /nfs/dbraw/zinc/66/63/65/386666365.db2.gz MDZPLYKAGLRCEP-GJZGRUSLSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000337206273 187323377 /nfs/dbraw/zinc/32/33/77/187323377.db2.gz MDZPLYKAGLRCEP-HUUCEWRRSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000337206273 187323376 /nfs/dbraw/zinc/32/33/76/187323376.db2.gz MDZPLYKAGLRCEP-HUUCEWRRSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000337206274 386666543 /nfs/dbraw/zinc/66/65/43/386666543.db2.gz MDZPLYKAGLRCEP-LSDHHAIUSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000337206274 386666541 /nfs/dbraw/zinc/66/65/41/386666541.db2.gz MDZPLYKAGLRCEP-LSDHHAIUSA-N 1 3 240.435 3.085 20 0 BGADHO CN(C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC000337212717 386657945 /nfs/dbraw/zinc/65/79/45/386657945.db2.gz VRXOWSJGMPKXHL-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CN(C)[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC000337212717 386657938 /nfs/dbraw/zinc/65/79/38/386657938.db2.gz VRXOWSJGMPKXHL-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CN(C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC000337212718 386658615 /nfs/dbraw/zinc/65/86/15/386658615.db2.gz VRXOWSJGMPKXHL-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CN(C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC000337212718 386658607 /nfs/dbraw/zinc/65/86/07/386658607.db2.gz VRXOWSJGMPKXHL-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CN(CCC[NH+]1CCCC1)CCCC(C)(C)C ZINC000337220674 386661468 /nfs/dbraw/zinc/66/14/68/386661468.db2.gz DJYJPXQVSLQCCZ-UHFFFAOYSA-N 1 3 240.435 3.230 20 0 BGADHO CC(C)C[C@H](C)CN(C)CCC[NH+]1CCCC1 ZINC000337285351 188185665 /nfs/dbraw/zinc/18/56/65/188185665.db2.gz ZWIBCWGRFISRKP-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CC(C)C[C@@H](C)CN(C)CCC[NH+]1CCCC1 ZINC000337285352 386702746 /nfs/dbraw/zinc/70/27/46/386702746.db2.gz ZWIBCWGRFISRKP-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(CCC[NH+](C)C)Cc1ccc(C)cc1 ZINC000337304455 169156581 /nfs/dbraw/zinc/15/65/81/169156581.db2.gz RVOHDDQXEYFXSV-UHFFFAOYSA-N 1 3 248.414 3.159 20 0 BGADHO CCCN(CCC[NH+](C)C)Cc1cccc(C)c1 ZINC000337331276 169155821 /nfs/dbraw/zinc/15/58/21/169155821.db2.gz HTMMHIWHFJSURR-UHFFFAOYSA-N 1 3 248.414 3.159 20 0 BGADHO CCC[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000337331303 385601754 /nfs/dbraw/zinc/60/17/54/385601754.db2.gz HVUFRKMBNLAKIZ-AWEZNQCLSA-N 1 3 238.419 3.125 20 0 BGADHO CCC[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000337331305 169366143 /nfs/dbraw/zinc/36/61/43/169366143.db2.gz HVUFRKMBNLAKIZ-CQSZACIVSA-N 1 3 238.419 3.125 20 0 BGADHO CCCN(CCC[NH+](C)C)Cc1ccccc1C ZINC000337340225 169156970 /nfs/dbraw/zinc/15/69/70/169156970.db2.gz SLTFBIVZCXGGHZ-UHFFFAOYSA-N 1 3 248.414 3.159 20 0 BGADHO CCN(CC)CCC[N@@H+](CC(C)C)C(C)C ZINC000338230724 385921367 /nfs/dbraw/zinc/92/13/67/385921367.db2.gz JGOCBLQSTVZORA-UHFFFAOYSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@H+](CC(C)C)C(C)C ZINC000338230724 385921361 /nfs/dbraw/zinc/92/13/61/385921361.db2.gz JGOCBLQSTVZORA-UHFFFAOYSA-N 1 3 228.424 3.085 20 0 BGADHO CC[NH+](CC)CCCN(CCC(C)C)C1CC1 ZINC000338232224 385922885 /nfs/dbraw/zinc/92/28/85/385922885.db2.gz FKEJGKPPLVQZRZ-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](CCC(C)C)C1CC1 ZINC000338232224 385922880 /nfs/dbraw/zinc/92/28/80/385922880.db2.gz FKEJGKPPLVQZRZ-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](CCC(C)C)C1CC1 ZINC000338232224 385922875 /nfs/dbraw/zinc/92/28/75/385922875.db2.gz FKEJGKPPLVQZRZ-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](CC)[C@@H](C)C(C)C ZINC000338233344 385921895 /nfs/dbraw/zinc/92/18/95/385921895.db2.gz HLQXTPGJFZADHS-AWEZNQCLSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@H+](CC)[C@@H](C)C(C)C ZINC000338233344 385921891 /nfs/dbraw/zinc/92/18/91/385921891.db2.gz HLQXTPGJFZADHS-AWEZNQCLSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@@H+](CC)[C@H](C)C(C)C ZINC000338233346 385921990 /nfs/dbraw/zinc/92/19/90/385921990.db2.gz HLQXTPGJFZADHS-CQSZACIVSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@H+](CC)[C@H](C)C(C)C ZINC000338233346 385921989 /nfs/dbraw/zinc/92/19/89/385921989.db2.gz HLQXTPGJFZADHS-CQSZACIVSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000338236385 385931323 /nfs/dbraw/zinc/93/13/23/385931323.db2.gz VDZUEKUSTDEZAI-CABCVRRESA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000338236385 385931319 /nfs/dbraw/zinc/93/13/19/385931319.db2.gz VDZUEKUSTDEZAI-CABCVRRESA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000338236386 385931212 /nfs/dbraw/zinc/93/12/12/385931212.db2.gz VDZUEKUSTDEZAI-GJZGRUSLSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000338236386 385931205 /nfs/dbraw/zinc/93/12/05/385931205.db2.gz VDZUEKUSTDEZAI-GJZGRUSLSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000338236389 385930397 /nfs/dbraw/zinc/93/03/97/385930397.db2.gz VDZUEKUSTDEZAI-HUUCEWRRSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000338236389 385930388 /nfs/dbraw/zinc/93/03/88/385930388.db2.gz VDZUEKUSTDEZAI-HUUCEWRRSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000338236390 385932099 /nfs/dbraw/zinc/93/20/99/385932099.db2.gz VDZUEKUSTDEZAI-LSDHHAIUSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000338236390 385932095 /nfs/dbraw/zinc/93/20/95/385932095.db2.gz VDZUEKUSTDEZAI-LSDHHAIUSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+]1CCC[C@H]1CC(C)C ZINC000338237486 385930948 /nfs/dbraw/zinc/93/09/48/385930948.db2.gz PCIWCLCICGVKPJ-HNNXBMFYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1CC(C)C ZINC000338237486 385930944 /nfs/dbraw/zinc/93/09/44/385930944.db2.gz PCIWCLCICGVKPJ-HNNXBMFYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1CC(C)C ZINC000338237488 385932817 /nfs/dbraw/zinc/93/28/17/385932817.db2.gz PCIWCLCICGVKPJ-OAHLLOKOSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000338237488 385932811 /nfs/dbraw/zinc/93/28/11/385932811.db2.gz PCIWCLCICGVKPJ-OAHLLOKOSA-N 1 3 240.435 3.229 20 0 BGADHO CCC[N@@H+](CCCN(CC)CC)CC(C)C ZINC000338237709 169155762 /nfs/dbraw/zinc/15/57/62/169155762.db2.gz XLUWYWZNNGVBAN-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CCC[N@H+](CCCN(CC)CC)CC(C)C ZINC000338237709 169155761 /nfs/dbraw/zinc/15/57/61/169155761.db2.gz XLUWYWZNNGVBAN-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+](C)C1CCC(C)CC1 ZINC000338265453 385935712 /nfs/dbraw/zinc/93/57/12/385935712.db2.gz YXNUTTWAYCWOFF-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)C1CCC(C)CC1 ZINC000338265453 385935705 /nfs/dbraw/zinc/93/57/05/385935705.db2.gz YXNUTTWAYCWOFF-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C(C)C)C1CCCC1 ZINC000338276165 385938401 /nfs/dbraw/zinc/93/84/01/385938401.db2.gz QEUKHTYIPBIMQL-UHFFFAOYSA-N 1 3 240.435 3.371 20 0 BGADHO CCN(CC)CCC[N@H+](C(C)C)C1CCCC1 ZINC000338276165 385938394 /nfs/dbraw/zinc/93/83/94/385938394.db2.gz QEUKHTYIPBIMQL-UHFFFAOYSA-N 1 3 240.435 3.371 20 0 BGADHO CC[NH+](CC)CCCN(C)C[C@H]1CC=CCC1 ZINC000338293430 385955890 /nfs/dbraw/zinc/95/58/90/385955890.db2.gz ZIVCMKYASJORKP-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CCN(CC)CCC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000338293430 385955888 /nfs/dbraw/zinc/95/58/88/385955888.db2.gz ZIVCMKYASJORKP-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CCN(CC)CCC[N@H+](C)C[C@H]1CC=CCC1 ZINC000338293430 385955881 /nfs/dbraw/zinc/95/58/81/385955881.db2.gz ZIVCMKYASJORKP-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CC[NH+](CC)CCCN(C)C[C@@H]1CC=CCC1 ZINC000338293431 385955134 /nfs/dbraw/zinc/95/51/34/385955134.db2.gz ZIVCMKYASJORKP-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CCN(CC)CCC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000338293431 385955129 /nfs/dbraw/zinc/95/51/29/385955129.db2.gz ZIVCMKYASJORKP-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CCN(CC)CCC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000338293431 385955123 /nfs/dbraw/zinc/95/51/23/385955123.db2.gz ZIVCMKYASJORKP-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CCN(CC)CCC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000338302541 385951788 /nfs/dbraw/zinc/95/17/88/385951788.db2.gz CSPCVZHQMUHIDM-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000338302541 385951782 /nfs/dbraw/zinc/95/17/82/385951782.db2.gz CSPCVZHQMUHIDM-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000338302542 385952672 /nfs/dbraw/zinc/95/26/72/385952672.db2.gz CSPCVZHQMUHIDM-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000338302542 385952667 /nfs/dbraw/zinc/95/26/67/385952667.db2.gz CSPCVZHQMUHIDM-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CC[C@H](C)C[N@@H+](CC)CCCN(CC)CC ZINC000338304007 171278219 /nfs/dbraw/zinc/27/82/19/171278219.db2.gz HNJXYZGJIJHFFT-AWEZNQCLSA-N 1 3 228.424 3.086 20 0 BGADHO CC[C@H](C)C[N@H+](CC)CCCN(CC)CC ZINC000338304007 171278218 /nfs/dbraw/zinc/27/82/18/171278218.db2.gz HNJXYZGJIJHFFT-AWEZNQCLSA-N 1 3 228.424 3.086 20 0 BGADHO CC[C@@H](C)C[N@@H+](CC)CCCN(CC)CC ZINC000338304009 385953194 /nfs/dbraw/zinc/95/31/94/385953194.db2.gz HNJXYZGJIJHFFT-CQSZACIVSA-N 1 3 228.424 3.086 20 0 BGADHO CC[C@@H](C)C[N@H+](CC)CCCN(CC)CC ZINC000338304009 385953188 /nfs/dbraw/zinc/95/31/88/385953188.db2.gz HNJXYZGJIJHFFT-CQSZACIVSA-N 1 3 228.424 3.086 20 0 BGADHO CCN(CC)CCC[N@H+]1CCCC[C@H]1C(C)C ZINC000338308301 385955467 /nfs/dbraw/zinc/95/54/67/385955467.db2.gz SOHHCESEWXFGFC-HNNXBMFYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+]1CCCC[C@H]1C(C)C ZINC000338308301 385955462 /nfs/dbraw/zinc/95/54/62/385955462.db2.gz SOHHCESEWXFGFC-HNNXBMFYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1C(C)C ZINC000338308303 385956117 /nfs/dbraw/zinc/95/61/17/385956117.db2.gz SOHHCESEWXFGFC-OAHLLOKOSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000338308303 385956113 /nfs/dbraw/zinc/95/61/13/385956113.db2.gz SOHHCESEWXFGFC-OAHLLOKOSA-N 1 3 240.435 3.229 20 0 BGADHO CC[NH+](CC)CCCN(C)[C@H]1CCC(C)(C)C1 ZINC000338377910 385984248 /nfs/dbraw/zinc/98/42/48/385984248.db2.gz NTCAKJQWXKDDHV-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000338377910 385984245 /nfs/dbraw/zinc/98/42/45/385984245.db2.gz NTCAKJQWXKDDHV-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000338377910 385984238 /nfs/dbraw/zinc/98/42/38/385984238.db2.gz NTCAKJQWXKDDHV-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CC[NH+](CC)CCCN(C)[C@@H]1CCC(C)(C)C1 ZINC000338377911 385982808 /nfs/dbraw/zinc/98/28/08/385982808.db2.gz NTCAKJQWXKDDHV-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000338377911 385982807 /nfs/dbraw/zinc/98/28/07/385982807.db2.gz NTCAKJQWXKDDHV-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000338377911 385982804 /nfs/dbraw/zinc/98/28/04/385982804.db2.gz NTCAKJQWXKDDHV-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](CC1CCC1)C(C)C ZINC000338378829 385982901 /nfs/dbraw/zinc/98/29/01/385982901.db2.gz UXSGEUFZRKEIMU-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](CC1CCC1)C(C)C ZINC000338378829 385982898 /nfs/dbraw/zinc/98/28/98/385982898.db2.gz UXSGEUFZRKEIMU-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CC(C)CCC[NH2+]C[C@H](C)CN1CCCCC1 ZINC000338417491 384872371 /nfs/dbraw/zinc/87/23/71/384872371.db2.gz CLFCGZCFIKQSDA-HNNXBMFYSA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)CCC[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000338417492 384874650 /nfs/dbraw/zinc/87/46/50/384874650.db2.gz CLFCGZCFIKQSDA-OAHLLOKOSA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)CCC[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000338417830 386003608 /nfs/dbraw/zinc/00/36/08/386003608.db2.gz GJCGPFXRTURHQS-UHFFFAOYSA-N 1 3 248.414 3.274 20 0 BGADHO CC(C)CCC[NH2+]CCCN1CCC(C)CC1 ZINC000338426671 388474966 /nfs/dbraw/zinc/47/49/66/388474966.db2.gz RGYVGMFDMURJTF-UHFFFAOYSA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)CCC[NH2+]Cc1cccc(CN(C)C)c1 ZINC000338430860 385999273 /nfs/dbraw/zinc/99/92/73/385999273.db2.gz DWWDJKBEGKJVEI-UHFFFAOYSA-N 1 3 248.414 3.274 20 0 BGADHO CC(C)CCC[NH2+]CC(C)(C)CN1CCCC1 ZINC000338435147 385999759 /nfs/dbraw/zinc/99/97/59/385999759.db2.gz BHWPHTRMAJQOHL-UHFFFAOYSA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)CCC[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000338457335 386009039 /nfs/dbraw/zinc/00/90/39/386009039.db2.gz SZEGARNDVPJABW-HNNXBMFYSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CCC[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000338457339 386008826 /nfs/dbraw/zinc/00/88/26/386008826.db2.gz SZEGARNDVPJABW-OAHLLOKOSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CCC[NH2+]CC[C@H](C)N1CCCCC1 ZINC000338462987 386011059 /nfs/dbraw/zinc/01/10/59/386011059.db2.gz WNOAFMNRSRAWAL-HNNXBMFYSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)CCC[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000338462988 386011867 /nfs/dbraw/zinc/01/18/67/386011867.db2.gz WNOAFMNRSRAWAL-OAHLLOKOSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@@H](CC)CCN1CCC([NH3+])CC1 ZINC000339407031 350754563 /nfs/dbraw/zinc/75/45/63/350754563.db2.gz JPMWTWBJOFKYAB-CYBMUJFWSA-N 1 3 226.408 3.016 20 0 BGADHO CCCC[C@H](CC)CCN1CCC([NH3+])CC1 ZINC000339407032 350754568 /nfs/dbraw/zinc/75/45/68/350754568.db2.gz JPMWTWBJOFKYAB-ZDUSSCGKSA-N 1 3 226.408 3.016 20 0 BGADHO CC(C)[C@@H](C)N(C)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000340286014 167369365 /nfs/dbraw/zinc/36/93/65/167369365.db2.gz KHYXARCFKKAWAH-CABCVRRESA-N 1 3 240.435 3.226 20 0 BGADHO CC(C)[C@@H](C)N(C)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000340286014 167369361 /nfs/dbraw/zinc/36/93/61/167369361.db2.gz KHYXARCFKKAWAH-CABCVRRESA-N 1 3 240.435 3.226 20 0 BGADHO CC(C)[C@H](C)N(C)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000340286015 188387699 /nfs/dbraw/zinc/38/76/99/188387699.db2.gz KHYXARCFKKAWAH-GJZGRUSLSA-N 1 3 240.435 3.226 20 0 BGADHO CC(C)[C@H](C)N(C)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000340286015 188387697 /nfs/dbraw/zinc/38/76/97/188387697.db2.gz KHYXARCFKKAWAH-GJZGRUSLSA-N 1 3 240.435 3.226 20 0 BGADHO CC(C)[C@@H](C)N(C)C[C@H]1CCCC[N@H+]1C(C)C ZINC000340286016 167367332 /nfs/dbraw/zinc/36/73/32/167367332.db2.gz KHYXARCFKKAWAH-HUUCEWRRSA-N 1 3 240.435 3.226 20 0 BGADHO CC(C)[C@@H](C)N(C)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000340286016 167367330 /nfs/dbraw/zinc/36/73/30/167367330.db2.gz KHYXARCFKKAWAH-HUUCEWRRSA-N 1 3 240.435 3.226 20 0 BGADHO CC(C)[C@H](C)N(C)C[C@H]1CCCC[N@H+]1C(C)C ZINC000340286017 386206749 /nfs/dbraw/zinc/20/67/49/386206749.db2.gz KHYXARCFKKAWAH-LSDHHAIUSA-N 1 3 240.435 3.226 20 0 BGADHO CC(C)[C@H](C)N(C)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000340286017 386206746 /nfs/dbraw/zinc/20/67/46/386206746.db2.gz KHYXARCFKKAWAH-LSDHHAIUSA-N 1 3 240.435 3.226 20 0 BGADHO CCC(CC)(CC)C[NH2+]CC1=CCN(C)CC1 ZINC000341389184 168313570 /nfs/dbraw/zinc/31/35/70/168313570.db2.gz IGQYRSBPVZIHCM-UHFFFAOYSA-N 1 3 238.419 3.054 20 0 BGADHO CC/C=C\CC[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000342181485 365537935 /nfs/dbraw/zinc/53/79/35/365537935.db2.gz BQIKJUJIWPPYTG-IDTUSYRASA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CC[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000342181485 365537931 /nfs/dbraw/zinc/53/79/31/365537931.db2.gz BQIKJUJIWPPYTG-IDTUSYRASA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000342181485 365537928 /nfs/dbraw/zinc/53/79/28/365537928.db2.gz BQIKJUJIWPPYTG-IDTUSYRASA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000342181485 365537921 /nfs/dbraw/zinc/53/79/21/365537921.db2.gz BQIKJUJIWPPYTG-IDTUSYRASA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CC[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000342181486 365538208 /nfs/dbraw/zinc/53/82/08/365538208.db2.gz BQIKJUJIWPPYTG-XHPSBEMXSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CC[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000342181486 365538206 /nfs/dbraw/zinc/53/82/06/365538206.db2.gz BQIKJUJIWPPYTG-XHPSBEMXSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000342181486 365538204 /nfs/dbraw/zinc/53/82/04/365538204.db2.gz BQIKJUJIWPPYTG-XHPSBEMXSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000342181486 365538203 /nfs/dbraw/zinc/53/82/03/365538203.db2.gz BQIKJUJIWPPYTG-XHPSBEMXSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000342199709 343726076 /nfs/dbraw/zinc/72/60/76/343726076.db2.gz KXMJVWBMKGAQLQ-IYKSTZQJSA-N 1 3 238.419 3.149 20 0 BGADHO CC/C=C\CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000342199709 343726074 /nfs/dbraw/zinc/72/60/74/343726074.db2.gz KXMJVWBMKGAQLQ-IYKSTZQJSA-N 1 3 238.419 3.149 20 0 BGADHO CC/C=C\CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000342199711 346557928 /nfs/dbraw/zinc/55/79/28/346557928.db2.gz KXMJVWBMKGAQLQ-YVACAVLKSA-N 1 3 238.419 3.149 20 0 BGADHO CC/C=C\CCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000342199711 346557926 /nfs/dbraw/zinc/55/79/26/346557926.db2.gz KXMJVWBMKGAQLQ-YVACAVLKSA-N 1 3 238.419 3.149 20 0 BGADHO CC/C=C\CC[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000342242050 365540171 /nfs/dbraw/zinc/54/01/71/365540171.db2.gz YOODLCUESNXKOC-LZNQSLFOSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CC[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000342242050 365540164 /nfs/dbraw/zinc/54/01/64/365540164.db2.gz YOODLCUESNXKOC-LZNQSLFOSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000342242050 365540158 /nfs/dbraw/zinc/54/01/58/365540158.db2.gz YOODLCUESNXKOC-LZNQSLFOSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CC[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000342242051 365540462 /nfs/dbraw/zinc/54/04/62/365540462.db2.gz YOODLCUESNXKOC-ZPIQOJFGSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CC[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000342242051 365540458 /nfs/dbraw/zinc/54/04/58/365540458.db2.gz YOODLCUESNXKOC-ZPIQOJFGSA-N 1 3 238.419 3.006 20 0 BGADHO CC/C=C\CCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000342242051 365540452 /nfs/dbraw/zinc/54/04/52/365540452.db2.gz YOODLCUESNXKOC-ZPIQOJFGSA-N 1 3 238.419 3.006 20 0 BGADHO C[C@@H](CC[NH2+][C@H]1CCC1(C)C)N1CCCCC1 ZINC000342595568 135300169 /nfs/dbraw/zinc/30/01/69/135300169.db2.gz LODJFXWHIHKQMU-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CC[NH2+][C@H]1CCC1(C)C)N1CCCCC1 ZINC000342595570 135300558 /nfs/dbraw/zinc/30/05/58/135300558.db2.gz LODJFXWHIHKQMU-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H](CC[NH2+][C@@H]1CCC1(C)C)N1CCCCC1 ZINC000342595575 135300023 /nfs/dbraw/zinc/30/00/23/135300023.db2.gz LODJFXWHIHKQMU-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CC[NH2+][C@@H]1CCC1(C)C)N1CCCCC1 ZINC000342595577 135299915 /nfs/dbraw/zinc/29/99/15/135299915.db2.gz LODJFXWHIHKQMU-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CCC1CC([NH2+]CC[C@H](C)N2CCCCC2)C1 ZINC000342601158 135301785 /nfs/dbraw/zinc/30/17/85/135301785.db2.gz UWZONJWKWDWRCY-NFOMZHRRSA-N 1 3 238.419 3.029 20 0 BGADHO CCC1CC([NH2+]CC[C@@H](C)N2CCCCC2)C1 ZINC000342601160 135301930 /nfs/dbraw/zinc/30/19/30/135301930.db2.gz UWZONJWKWDWRCY-WLYUNCDWSA-N 1 3 238.419 3.029 20 0 BGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000342612930 536011369 /nfs/dbraw/zinc/01/13/69/536011369.db2.gz HNLAWNQADWCBCR-HNNXBMFYSA-N 1 3 246.398 3.026 20 0 BGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000342612931 536012166 /nfs/dbraw/zinc/01/21/66/536012166.db2.gz HNLAWNQADWCBCR-OAHLLOKOSA-N 1 3 246.398 3.026 20 0 BGADHO CCC1CC([NH2+]Cc2ccc(CN(C)C)cc2)C1 ZINC000342613597 135295491 /nfs/dbraw/zinc/29/54/91/135295491.db2.gz IDYBIFASZHYKFB-UHFFFAOYSA-N 1 3 246.398 3.026 20 0 BGADHO CCC1CC([NH2+]Cc2cccc(CN(C)C)c2)C1 ZINC000342613602 135295541 /nfs/dbraw/zinc/29/55/41/135295541.db2.gz IFSXKJNOVQQBQK-UHFFFAOYSA-N 1 3 246.398 3.026 20 0 BGADHO CCC1CC([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000342674354 135304057 /nfs/dbraw/zinc/30/40/57/135304057.db2.gz ULDZUEXZRWGUPR-NFOMZHRRSA-N 1 3 238.419 3.029 20 0 BGADHO CCC1CC([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000342674355 135304098 /nfs/dbraw/zinc/30/40/98/135304098.db2.gz ULDZUEXZRWGUPR-WLYUNCDWSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000342685859 365557047 /nfs/dbraw/zinc/55/70/47/365557047.db2.gz DZMDDGAEPRQEMW-CYBMUJFWSA-N 1 3 238.419 3.053 20 0 BGADHO C[C@@H](CCC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000342685888 365556203 /nfs/dbraw/zinc/55/62/03/365556203.db2.gz DZMDDGAEPRQEMW-ZDUSSCGKSA-N 1 3 238.419 3.053 20 0 BGADHO CC(C)[NH+](CCCN[C@H]1CCC1(C)C)C(C)C ZINC000342697228 535056718 /nfs/dbraw/zinc/05/67/18/535056718.db2.gz KCIJPYFLSHNPEN-AWEZNQCLSA-N 1 3 240.435 3.274 20 0 BGADHO CC(C)[NH+](CCCN[C@@H]1CCC1(C)C)C(C)C ZINC000342697229 535056158 /nfs/dbraw/zinc/05/61/58/535056158.db2.gz KCIJPYFLSHNPEN-CQSZACIVSA-N 1 3 240.435 3.274 20 0 BGADHO CCC1CC(NCCC[NH+](C(C)C)C(C)C)C1 ZINC000342702082 135306963 /nfs/dbraw/zinc/30/69/63/135306963.db2.gz SLHNNRODJUGING-UHFFFAOYSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@@H]1CCC[N@@H+]1CCCN1CCC[C@@H]1CC ZINC000343443367 353889062 /nfs/dbraw/zinc/88/90/62/353889062.db2.gz AVTDLCJNBIAANT-GASCZTMLSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@@H]1CCC[N@H+]1CCCN1CCC[C@@H]1CC ZINC000343443367 353889060 /nfs/dbraw/zinc/88/90/60/353889060.db2.gz AVTDLCJNBIAANT-GASCZTMLSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@@H]1CCCN1CCC[N@H+]1CCC[C@@H]1CC ZINC000343443367 353889057 /nfs/dbraw/zinc/88/90/57/353889057.db2.gz AVTDLCJNBIAANT-GASCZTMLSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@@H]1CCCN1CCC[N@@H+]1CCC[C@@H]1CC ZINC000343443367 353889055 /nfs/dbraw/zinc/88/90/55/353889055.db2.gz AVTDLCJNBIAANT-GASCZTMLSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@H]1CCCN1CCC[N@H+]1CCC[C@@H]1CC ZINC000343443368 353889119 /nfs/dbraw/zinc/88/91/19/353889119.db2.gz AVTDLCJNBIAANT-GJZGRUSLSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@H]1CCCN1CCC[N@@H+]1CCC[C@@H]1CC ZINC000343443368 353889116 /nfs/dbraw/zinc/88/91/16/353889116.db2.gz AVTDLCJNBIAANT-GJZGRUSLSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@@H]1CCCN1CCC[N@H+]1CCC[C@H]1CC ZINC000343443369 353889677 /nfs/dbraw/zinc/88/96/77/353889677.db2.gz AVTDLCJNBIAANT-HUUCEWRRSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@@H]1CCCN1CCC[N@@H+]1CCC[C@H]1CC ZINC000343443369 353889674 /nfs/dbraw/zinc/88/96/74/353889674.db2.gz AVTDLCJNBIAANT-HUUCEWRRSA-N 1 3 238.419 3.125 20 0 BGADHO CCCN(CCC[N@@H+](CCC)C1CC1)C1CC1 ZINC000343450676 353892833 /nfs/dbraw/zinc/89/28/33/353892833.db2.gz OHEUMNXCOQIJBB-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CCCN(CCC[N@H+](CCC)C1CC1)C1CC1 ZINC000343450676 353892830 /nfs/dbraw/zinc/89/28/30/353892830.db2.gz OHEUMNXCOQIJBB-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CCN(CCC[N@@H+](CC)C1CCC1)C1CCC1 ZINC000343784537 353990885 /nfs/dbraw/zinc/99/08/85/353990885.db2.gz QRTBDEVLBZISOE-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CCN(CCC[N@H+](CC)C1CCC1)C1CCC1 ZINC000343784537 353990883 /nfs/dbraw/zinc/99/08/83/353990883.db2.gz QRTBDEVLBZISOE-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@H](C[C@@H](C)CC)[NH2+]CC1=CCN(C)CC1 ZINC000344290562 365676675 /nfs/dbraw/zinc/67/66/75/365676675.db2.gz MBRVSNSEAQMPNC-DZGCQCFKSA-N 1 3 238.419 3.053 20 0 BGADHO CC[C@@H](C)C[C@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000344290563 365676642 /nfs/dbraw/zinc/67/66/42/365676642.db2.gz MBRVSNSEAQMPNC-HIFRSBDPSA-N 1 3 238.419 3.053 20 0 BGADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000344290564 365676828 /nfs/dbraw/zinc/67/68/28/365676828.db2.gz MBRVSNSEAQMPNC-UKRRQHHQSA-N 1 3 238.419 3.053 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000344290566 365676729 /nfs/dbraw/zinc/67/67/29/365676729.db2.gz MBRVSNSEAQMPNC-ZFWWWQNUSA-N 1 3 238.419 3.053 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000344297220 354210782 /nfs/dbraw/zinc/21/07/82/354210782.db2.gz AVNRGJRUOPYZIA-AWEZNQCLSA-N 1 3 238.419 3.053 20 0 BGADHO CC(C)CCC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000344297222 354210632 /nfs/dbraw/zinc/21/06/32/354210632.db2.gz AVNRGJRUOPYZIA-CQSZACIVSA-N 1 3 238.419 3.053 20 0 BGADHO CC[N@@H+](CCC(C)(C)CC)[C@H]1CCCNCC1 ZINC000345187263 386055313 /nfs/dbraw/zinc/05/53/13/386055313.db2.gz IJFRJKREIABVAE-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[N@H+](CCC(C)(C)CC)[C@H]1CCCNCC1 ZINC000345187263 386055309 /nfs/dbraw/zinc/05/53/09/386055309.db2.gz IJFRJKREIABVAE-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[N@@H+](CCC(C)(C)CC)[C@@H]1CCCNCC1 ZINC000345187272 386055897 /nfs/dbraw/zinc/05/58/97/386055897.db2.gz IJFRJKREIABVAE-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CC[N@H+](CCC(C)(C)CC)[C@@H]1CCCNCC1 ZINC000345187272 386055893 /nfs/dbraw/zinc/05/58/93/386055893.db2.gz IJFRJKREIABVAE-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346559392 354968350 /nfs/dbraw/zinc/96/83/50/354968350.db2.gz NZRSGOCWMNISLM-BFHYXJOUSA-N 1 3 238.419 3.028 20 0 BGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346559393 354968472 /nfs/dbraw/zinc/96/84/72/354968472.db2.gz NZRSGOCWMNISLM-HZSPNIEDSA-N 1 3 238.419 3.028 20 0 BGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346559395 354968243 /nfs/dbraw/zinc/96/82/43/354968243.db2.gz NZRSGOCWMNISLM-MELADBBJSA-N 1 3 238.419 3.028 20 0 BGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346559396 354968383 /nfs/dbraw/zinc/96/83/83/354968383.db2.gz NZRSGOCWMNISLM-MGPQQGTHSA-N 1 3 238.419 3.028 20 0 BGADHO CCCC1CCC(C[NH+]2CCC(N)CC2)CC1 ZINC000346628015 354997519 /nfs/dbraw/zinc/99/75/19/354997519.db2.gz AGJGZZIBBYQHTF-UHFFFAOYSA-N 1 3 238.419 3.016 20 0 BGADHO CCCC1CCC(CN2CCC([NH3+])CC2)CC1 ZINC000346628015 354997517 /nfs/dbraw/zinc/99/75/17/354997517.db2.gz AGJGZZIBBYQHTF-UHFFFAOYSA-N 1 3 238.419 3.016 20 0 BGADHO CCN(CC(C)C[N@@H+](CC)C(C)C)C(C)C ZINC000346649482 355018772 /nfs/dbraw/zinc/01/87/72/355018772.db2.gz UFQJQYQEUGSMSH-UHFFFAOYSA-N 1 3 228.424 3.083 20 0 BGADHO CCN(CC(C)C[N@H+](CC)C(C)C)C(C)C ZINC000346649482 355018770 /nfs/dbraw/zinc/01/87/70/355018770.db2.gz UFQJQYQEUGSMSH-UHFFFAOYSA-N 1 3 228.424 3.083 20 0 BGADHO CC[C@@H](CN(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000346662367 355005443 /nfs/dbraw/zinc/00/54/43/355005443.db2.gz BROATHFXJCGOJG-AWEZNQCLSA-N 1 3 248.414 3.097 20 0 BGADHO CC[C@H](CN(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000346662371 355005851 /nfs/dbraw/zinc/00/58/51/355005851.db2.gz BROATHFXJCGOJG-CQSZACIVSA-N 1 3 248.414 3.097 20 0 BGADHO C[C@H](CC1CCCCC1)CN1CCC([NH3+])CC1 ZINC000346665171 355006697 /nfs/dbraw/zinc/00/66/97/355006697.db2.gz XXYQQJVSBRTDOF-CYBMUJFWSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H](CC1CCCCC1)CN1CCC([NH3+])CC1 ZINC000346665172 355006450 /nfs/dbraw/zinc/00/64/50/355006450.db2.gz XXYQQJVSBRTDOF-ZDUSSCGKSA-N 1 3 238.419 3.016 20 0 BGADHO CCCN(CC(C)(C)[NH3+])[C@H]1CCc2ccccc21 ZINC000346847483 355136818 /nfs/dbraw/zinc/13/68/18/355136818.db2.gz MTEBBVWJRDCOJO-HNNXBMFYSA-N 1 3 246.398 3.123 20 0 BGADHO CCCN(CC(C)(C)[NH3+])[C@@H]1CCc2ccccc21 ZINC000346847486 355136768 /nfs/dbraw/zinc/13/67/68/355136768.db2.gz MTEBBVWJRDCOJO-OAHLLOKOSA-N 1 3 246.398 3.123 20 0 BGADHO Cc1ccc([C@@H]2CCC[N@H+]2CC(C)(C)N)cc1C ZINC000346851393 355137948 /nfs/dbraw/zinc/13/79/48/355137948.db2.gz JOHFKAYIIRZNNM-HNNXBMFYSA-N 1 3 246.398 3.178 20 0 BGADHO Cc1ccc([C@@H]2CCC[N@@H+]2CC(C)(C)N)cc1C ZINC000346851393 355137944 /nfs/dbraw/zinc/13/79/44/355137944.db2.gz JOHFKAYIIRZNNM-HNNXBMFYSA-N 1 3 246.398 3.178 20 0 BGADHO Cc1ccc([C@H]2CCC[N@H+]2CC(C)(C)N)cc1C ZINC000346851394 355137404 /nfs/dbraw/zinc/13/74/04/355137404.db2.gz JOHFKAYIIRZNNM-OAHLLOKOSA-N 1 3 246.398 3.178 20 0 BGADHO Cc1ccc([C@H]2CCC[N@@H+]2CC(C)(C)N)cc1C ZINC000346851394 355137401 /nfs/dbraw/zinc/13/74/01/355137401.db2.gz JOHFKAYIIRZNNM-OAHLLOKOSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CC1 ZINC000346868117 355157023 /nfs/dbraw/zinc/15/70/23/355157023.db2.gz QZLZTVPVCOMTBR-DZGCQCFKSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CC1 ZINC000346868120 355157494 /nfs/dbraw/zinc/15/74/94/355157494.db2.gz QZLZTVPVCOMTBR-HIFRSBDPSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CC1 ZINC000346868121 355157374 /nfs/dbraw/zinc/15/73/74/355157374.db2.gz QZLZTVPVCOMTBR-UKRRQHHQSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CC1 ZINC000346868124 355157141 /nfs/dbraw/zinc/15/71/41/355157141.db2.gz QZLZTVPVCOMTBR-ZFWWWQNUSA-N 1 3 238.419 3.029 20 0 BGADHO CCCCC[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000347000176 355198202 /nfs/dbraw/zinc/19/82/02/355198202.db2.gz YXIRZDWESIIJKH-CABCVRRESA-N 1 3 238.419 3.031 20 0 BGADHO CCCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000347000176 355198200 /nfs/dbraw/zinc/19/82/00/355198200.db2.gz YXIRZDWESIIJKH-CABCVRRESA-N 1 3 238.419 3.031 20 0 BGADHO CCCCC[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000347000178 355198024 /nfs/dbraw/zinc/19/80/24/355198024.db2.gz YXIRZDWESIIJKH-GJZGRUSLSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000347000178 355198022 /nfs/dbraw/zinc/19/80/22/355198022.db2.gz YXIRZDWESIIJKH-GJZGRUSLSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000347000179 355198015 /nfs/dbraw/zinc/19/80/15/355198015.db2.gz YXIRZDWESIIJKH-HUUCEWRRSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000347000179 355198012 /nfs/dbraw/zinc/19/80/12/355198012.db2.gz YXIRZDWESIIJKH-HUUCEWRRSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000347000180 355198005 /nfs/dbraw/zinc/19/80/05/355198005.db2.gz YXIRZDWESIIJKH-LSDHHAIUSA-N 1 3 238.419 3.031 20 0 BGADHO CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000347000180 355198002 /nfs/dbraw/zinc/19/80/02/355198002.db2.gz YXIRZDWESIIJKH-LSDHHAIUSA-N 1 3 238.419 3.031 20 0 BGADHO CC1(C)CC([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000347414807 383830079 /nfs/dbraw/zinc/83/00/79/383830079.db2.gz LYZXYDZBMIBTJD-UHFFFAOYSA-N 1 3 238.419 3.074 20 0 BGADHO Cc1cccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)c1C ZINC000347415648 386418228 /nfs/dbraw/zinc/41/82/28/386418228.db2.gz MRIPKOWZZYJIBH-DZGCQCFKSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1cccc([C@H](C)N[C@H](C)CC[NH+](C)C)c1C ZINC000347415649 386419582 /nfs/dbraw/zinc/41/95/82/386419582.db2.gz MRIPKOWZZYJIBH-HIFRSBDPSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1cccc([C@@H](C)N[C@H](C)CC[NH+](C)C)c1C ZINC000347415650 386419504 /nfs/dbraw/zinc/41/95/04/386419504.db2.gz MRIPKOWZZYJIBH-UKRRQHHQSA-N 1 3 248.414 3.294 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H](C)CC[NH+](C)C)c1C ZINC000347415651 386417903 /nfs/dbraw/zinc/41/79/03/386417903.db2.gz MRIPKOWZZYJIBH-ZFWWWQNUSA-N 1 3 248.414 3.294 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000348089590 136035149 /nfs/dbraw/zinc/03/51/49/136035149.db2.gz TVLIJDLPIAHBIF-KFWWJZLASA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000348089591 535824752 /nfs/dbraw/zinc/82/47/52/535824752.db2.gz TVLIJDLPIAHBIF-RBSFLKMASA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000348089592 535824761 /nfs/dbraw/zinc/82/47/61/535824761.db2.gz TVLIJDLPIAHBIF-RRFJBIMHSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000348089593 136035202 /nfs/dbraw/zinc/03/52/02/136035202.db2.gz TVLIJDLPIAHBIF-ZNMIVQPWSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000348098347 136036325 /nfs/dbraw/zinc/03/63/25/136036325.db2.gz ARWFJRQRDCANRG-CVEARBPZSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000348098349 136036044 /nfs/dbraw/zinc/03/60/44/136036044.db2.gz ARWFJRQRDCANRG-HOTGVXAUSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000348098351 136036366 /nfs/dbraw/zinc/03/63/66/136036366.db2.gz ARWFJRQRDCANRG-HZPDHXFCSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000348098353 536099724 /nfs/dbraw/zinc/09/97/24/536099724.db2.gz ARWFJRQRDCANRG-JKSUJKDBSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000348115151 136037828 /nfs/dbraw/zinc/03/78/28/136037828.db2.gz YRCBLBNTTJMBGU-CVEARBPZSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000348115152 136037560 /nfs/dbraw/zinc/03/75/60/136037560.db2.gz YRCBLBNTTJMBGU-HOTGVXAUSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000348115153 136037879 /nfs/dbraw/zinc/03/78/79/136037879.db2.gz YRCBLBNTTJMBGU-HZPDHXFCSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000348115154 536099759 /nfs/dbraw/zinc/09/97/59/536099759.db2.gz YRCBLBNTTJMBGU-JKSUJKDBSA-N 1 3 246.398 3.026 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000348123705 136033190 /nfs/dbraw/zinc/03/31/90/136033190.db2.gz MGXWPNYBCPERTO-CABCVRRESA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@@H]1CC[C@@H]1NCCC[NH+](C(C)C)C(C)C ZINC000348123705 136033189 /nfs/dbraw/zinc/03/31/89/136033189.db2.gz MGXWPNYBCPERTO-CABCVRRESA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@H]1CC[C@@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000348123706 136033032 /nfs/dbraw/zinc/03/30/32/136033032.db2.gz MGXWPNYBCPERTO-GJZGRUSLSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@H]1CC[C@@H]1NCCC[NH+](C(C)C)C(C)C ZINC000348123706 136033031 /nfs/dbraw/zinc/03/30/31/136033031.db2.gz MGXWPNYBCPERTO-GJZGRUSLSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000348123707 535824776 /nfs/dbraw/zinc/82/47/76/535824776.db2.gz MGXWPNYBCPERTO-HUUCEWRRSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@@H]1CC[C@H]1NCCC[NH+](C(C)C)C(C)C ZINC000348123707 535824775 /nfs/dbraw/zinc/82/47/75/535824775.db2.gz MGXWPNYBCPERTO-HUUCEWRRSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@H]1CC[C@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000348123708 136033258 /nfs/dbraw/zinc/03/32/58/136033258.db2.gz MGXWPNYBCPERTO-LSDHHAIUSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@H]1CC[C@H]1NCCC[NH+](C(C)C)C(C)C ZINC000348123708 136033257 /nfs/dbraw/zinc/03/32/57/136033257.db2.gz MGXWPNYBCPERTO-LSDHHAIUSA-N 1 3 240.435 3.274 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000348418265 136078041 /nfs/dbraw/zinc/07/80/41/136078041.db2.gz TZXVBBTZWZNGQZ-KFWWJZLASA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000348418267 136078127 /nfs/dbraw/zinc/07/81/27/136078127.db2.gz TZXVBBTZWZNGQZ-RBSFLKMASA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000348418271 136077956 /nfs/dbraw/zinc/07/79/56/136077956.db2.gz TZXVBBTZWZNGQZ-RRFJBIMHSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000348418274 136077849 /nfs/dbraw/zinc/07/78/49/136077849.db2.gz TZXVBBTZWZNGQZ-ZNMIVQPWSA-N 1 3 238.419 3.029 20 0 BGADHO CCN(CCC[NH+](CC)CC)CC(C)(C)C ZINC000349384813 535506420 /nfs/dbraw/zinc/50/64/20/535506420.db2.gz PMBRUPFESDEAGA-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+](CC)CC(C)(C)C ZINC000349384813 535506416 /nfs/dbraw/zinc/50/64/16/535506416.db2.gz PMBRUPFESDEAGA-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CCN(CC)CCC[N@H+](CC)CC(C)(C)C ZINC000349384813 535506414 /nfs/dbraw/zinc/50/64/14/535506414.db2.gz PMBRUPFESDEAGA-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CCN(CCC[NH+](CC)CC)CC1(C)CCC1 ZINC000349422365 537830787 /nfs/dbraw/zinc/83/07/87/537830787.db2.gz VGJJPOWLUCAFLD-UHFFFAOYSA-N 1 3 240.435 3.230 20 0 BGADHO CCN(CC)CCC[N@@H+](CC)CC1(C)CCC1 ZINC000349422365 537830782 /nfs/dbraw/zinc/83/07/82/537830782.db2.gz VGJJPOWLUCAFLD-UHFFFAOYSA-N 1 3 240.435 3.230 20 0 BGADHO CCN(CC)CCC[N@H+](CC)CC1(C)CCC1 ZINC000349422365 537830773 /nfs/dbraw/zinc/83/07/73/537830773.db2.gz VGJJPOWLUCAFLD-UHFFFAOYSA-N 1 3 240.435 3.230 20 0 BGADHO CCN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000349803254 355465728 /nfs/dbraw/zinc/46/57/28/355465728.db2.gz WRNYYOOVCUOQLS-UHFFFAOYSA-N 1 3 248.414 3.096 20 0 BGADHO CCN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000349803254 355465725 /nfs/dbraw/zinc/46/57/25/355465725.db2.gz WRNYYOOVCUOQLS-UHFFFAOYSA-N 1 3 248.414 3.096 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000353243961 387164170 /nfs/dbraw/zinc/16/41/70/387164170.db2.gz NWWHZZCRYJZVBZ-AWEZNQCLSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000353243962 387163504 /nfs/dbraw/zinc/16/35/04/387163504.db2.gz NWWHZZCRYJZVBZ-CQSZACIVSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)(C)N1CCC([NH2+]CCC2(C)CC2)CC1 ZINC000355136222 168021101 /nfs/dbraw/zinc/02/11/01/168021101.db2.gz RCXXPMBPZMXROQ-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(CC)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000360167843 168360021 /nfs/dbraw/zinc/36/00/21/168360021.db2.gz FQAHYJDYXDZVJY-UHFFFAOYSA-N 1 3 240.435 3.134 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000360338664 356905905 /nfs/dbraw/zinc/90/59/05/356905905.db2.gz RBTBCGZQKSZIHY-KFWWJZLASA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000360338665 356905959 /nfs/dbraw/zinc/90/59/59/356905959.db2.gz RBTBCGZQKSZIHY-RBSFLKMASA-N 1 3 238.419 3.029 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000361010100 169147220 /nfs/dbraw/zinc/14/72/20/169147220.db2.gz XAMYZTXWMZGGDG-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[NH+](CCC)CCCN[C@@H](C)C1(C)CC1 ZINC000361010100 169147219 /nfs/dbraw/zinc/14/72/19/169147219.db2.gz XAMYZTXWMZGGDG-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@H](C)C1(C)CC1 ZINC000361010108 169147966 /nfs/dbraw/zinc/14/79/66/169147966.db2.gz XAMYZTXWMZGGDG-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[NH+](CCC)CCCN[C@H](C)C1(C)CC1 ZINC000361010108 169147964 /nfs/dbraw/zinc/14/79/64/169147964.db2.gz XAMYZTXWMZGGDG-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)(C)CC[NH2+]CC(C)(C)CN1CCCC1 ZINC000361648910 387517732 /nfs/dbraw/zinc/51/77/32/387517732.db2.gz VMPICNJCLPITHQ-UHFFFAOYSA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000362921821 387672075 /nfs/dbraw/zinc/67/20/75/387672075.db2.gz JRFVCEZXCUYQEO-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CCN(CC)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000362925328 387673995 /nfs/dbraw/zinc/67/39/95/387673995.db2.gz SGTRDHPVJLTXOR-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CC(C)[NH2+]C1CCN(C2CCC(C)CC2)CC1 ZINC000375851249 168159752 /nfs/dbraw/zinc/15/97/52/168159752.db2.gz RDLUTZZEDZJGFL-UHFFFAOYSA-N 1 3 238.419 3.028 20 0 BGADHO N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)c2ccccc21 ZINC000379582855 359554072 /nfs/dbraw/zinc/55/40/72/359554072.db2.gz QANRINMMTPDJPR-CVEARBPZSA-N 1 3 242.366 3.221 20 0 BGADHO N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)c2ccccc21 ZINC000379582857 359553564 /nfs/dbraw/zinc/55/35/64/359553564.db2.gz QANRINMMTPDJPR-HOTGVXAUSA-N 1 3 242.366 3.221 20 0 BGADHO N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)c2ccccc21 ZINC000379582858 359553928 /nfs/dbraw/zinc/55/39/28/359553928.db2.gz QANRINMMTPDJPR-HZPDHXFCSA-N 1 3 242.366 3.221 20 0 BGADHO N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)c2ccccc21 ZINC000379582859 359553880 /nfs/dbraw/zinc/55/38/80/359553880.db2.gz QANRINMMTPDJPR-JKSUJKDBSA-N 1 3 242.366 3.221 20 0 BGADHO CCCC1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000380075079 365852737 /nfs/dbraw/zinc/85/27/37/365852737.db2.gz QZTJPOXMMOJOER-NFOMZHRRSA-N 1 3 240.435 3.133 20 0 BGADHO CCCC1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000380075080 365852299 /nfs/dbraw/zinc/85/22/99/365852299.db2.gz QZTJPOXMMOJOER-WLYUNCDWSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](N)[C@@H]2C)cc1 ZINC000380631683 367262878 /nfs/dbraw/zinc/26/28/78/367262878.db2.gz PTONTQXZJJZYME-XEZPLFJOSA-N 1 3 246.398 3.293 20 0 BGADHO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](N)[C@@H]2C)cc1 ZINC000380631683 367262871 /nfs/dbraw/zinc/26/28/71/367262871.db2.gz PTONTQXZJJZYME-XEZPLFJOSA-N 1 3 246.398 3.293 20 0 BGADHO CC(C)[C@@H](NC[C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000380907139 348231084 /nfs/dbraw/zinc/23/10/84/348231084.db2.gz RJJCIFMJZIGPPY-GDBMZVCRSA-N 1 3 248.414 3.171 20 0 BGADHO CC(C)[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccccc1 ZINC000380907139 348231080 /nfs/dbraw/zinc/23/10/80/348231080.db2.gz RJJCIFMJZIGPPY-GDBMZVCRSA-N 1 3 248.414 3.171 20 0 BGADHO CC(C)[C@@H](NC[C@H](C)C[NH+](C)C)c1ccccc1 ZINC000380907140 348231130 /nfs/dbraw/zinc/23/11/30/348231130.db2.gz RJJCIFMJZIGPPY-GOEBONIOSA-N 1 3 248.414 3.171 20 0 BGADHO CC(C)[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccccc1 ZINC000380907140 348231128 /nfs/dbraw/zinc/23/11/28/348231128.db2.gz RJJCIFMJZIGPPY-GOEBONIOSA-N 1 3 248.414 3.171 20 0 BGADHO CC(C)[C@H](NC[C@H](C)C[NH+](C)C)c1ccccc1 ZINC000380907141 348231204 /nfs/dbraw/zinc/23/12/04/348231204.db2.gz RJJCIFMJZIGPPY-HOCLYGCPSA-N 1 3 248.414 3.171 20 0 BGADHO CC(C)[C@H]([NH2+]C[C@H](C)CN(C)C)c1ccccc1 ZINC000380907141 348231202 /nfs/dbraw/zinc/23/12/02/348231202.db2.gz RJJCIFMJZIGPPY-HOCLYGCPSA-N 1 3 248.414 3.171 20 0 BGADHO CC(C)[C@H](NC[C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000380907144 348231099 /nfs/dbraw/zinc/23/10/99/348231099.db2.gz RJJCIFMJZIGPPY-ZBFHGGJFSA-N 1 3 248.414 3.171 20 0 BGADHO CC(C)[C@H]([NH2+]C[C@@H](C)CN(C)C)c1ccccc1 ZINC000380907144 348231097 /nfs/dbraw/zinc/23/10/97/348231097.db2.gz RJJCIFMJZIGPPY-ZBFHGGJFSA-N 1 3 248.414 3.171 20 0 BGADHO CCN(CC)CCC[NH2+]C(CC)(CC)CC ZINC000381763229 367455669 /nfs/dbraw/zinc/45/56/69/367455669.db2.gz ULXWRSRLPOOLTQ-UHFFFAOYSA-N 1 3 228.424 3.277 20 0 BGADHO CCCC1CCC([NH2+]CCCNC2CC2)CC1 ZINC000382525345 367532413 /nfs/dbraw/zinc/53/24/13/367532413.db2.gz FPHWYHQSHZVSIY-UHFFFAOYSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@H]([NH2+]CCCNC1CC1)C1CCCCC1 ZINC000382528308 367533604 /nfs/dbraw/zinc/53/36/04/367533604.db2.gz IOVSOYWOEQEUOI-HNNXBMFYSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@@H]([NH2+]CCCNC1CC1)C1CCCCC1 ZINC000382528309 367533430 /nfs/dbraw/zinc/53/34/30/367533430.db2.gz IOVSOYWOEQEUOI-OAHLLOKOSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H]([NH2+]CCCNC1CC1)C1CCCCCC1 ZINC000382539401 367534716 /nfs/dbraw/zinc/53/47/16/367534716.db2.gz SGTBHTJEUPHHES-CYBMUJFWSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H]([NH2+]CCCNC1CC1)C1CCCCCC1 ZINC000382539408 367534489 /nfs/dbraw/zinc/53/44/89/367534489.db2.gz SGTBHTJEUPHHES-ZDUSSCGKSA-N 1 3 238.419 3.077 20 0 BGADHO Cc1ccc(C)c([C@@H](C)NCCC(C)(C)[NH3+])c1 ZINC000383990637 710987195 /nfs/dbraw/zinc/98/71/95/710987195.db2.gz LLRZOOAAHSHEOM-CYBMUJFWSA-N 1 3 234.387 3.081 20 0 BGADHO Cc1ccc(C)c([C@H](C)NCCC(C)(C)[NH3+])c1 ZINC000383990645 710987320 /nfs/dbraw/zinc/98/73/20/710987320.db2.gz LLRZOOAAHSHEOM-ZDUSSCGKSA-N 1 3 234.387 3.081 20 0 BGADHO CCN(CC)CCC[NH2+][C@H](C)CC(C)(C)C ZINC000384676541 367715253 /nfs/dbraw/zinc/71/52/53/367715253.db2.gz ZHXQCLKYIPGVEI-CYBMUJFWSA-N 1 3 228.424 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000384676542 367715627 /nfs/dbraw/zinc/71/56/27/367715627.db2.gz ZHXQCLKYIPGVEI-ZDUSSCGKSA-N 1 3 228.424 3.133 20 0 BGADHO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)CN1CCCC1 ZINC000385072258 367782719 /nfs/dbraw/zinc/78/27/19/367782719.db2.gz DRBOPONRYYKDBQ-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)CN1CCCC1 ZINC000385072302 367783061 /nfs/dbraw/zinc/78/30/61/367783061.db2.gz DRBOPONRYYKDBQ-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000385072318 367783201 /nfs/dbraw/zinc/78/32/01/367783201.db2.gz DRBOPONRYYKDBQ-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](C[NH2+][C@H](C)CC(C)(C)C)CN1CCCC1 ZINC000385072330 367782591 /nfs/dbraw/zinc/78/25/91/367782591.db2.gz DRBOPONRYYKDBQ-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000385087291 367786624 /nfs/dbraw/zinc/78/66/24/367786624.db2.gz FVCGXSKZOIGVBZ-KBPBESRZSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000385087297 367786520 /nfs/dbraw/zinc/78/65/20/367786520.db2.gz FVCGXSKZOIGVBZ-KGLIPLIRSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000385087299 367786430 /nfs/dbraw/zinc/78/64/30/367786430.db2.gz FVCGXSKZOIGVBZ-UONOGXRCSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000385087300 367786327 /nfs/dbraw/zinc/78/63/27/367786327.db2.gz FVCGXSKZOIGVBZ-ZIAGYGMSSA-N 1 3 240.435 3.131 20 0 BGADHO C[C@H](NC1CCC(C)(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000386036834 367902018 /nfs/dbraw/zinc/90/20/18/367902018.db2.gz RVKOOBYUFIDWOZ-GXTWGEPZSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](NC1CCC(C)(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386036837 367901979 /nfs/dbraw/zinc/90/19/79/367901979.db2.gz RVKOOBYUFIDWOZ-JSGCOSHPSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](NC1CCC(C)(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386036840 342903958 /nfs/dbraw/zinc/90/39/58/342903958.db2.gz RVKOOBYUFIDWOZ-OCCSQVGLSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](NC1CCC(C)(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000386036845 367902495 /nfs/dbraw/zinc/90/24/95/367902495.db2.gz RVKOOBYUFIDWOZ-TZMCWYRMSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000386178456 367924024 /nfs/dbraw/zinc/92/40/24/367924024.db2.gz BXPZEDSCTHIALB-HZSPNIEDSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000386178458 367924345 /nfs/dbraw/zinc/92/43/45/367924345.db2.gz BXPZEDSCTHIALB-MCIONIFRSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000386178459 367923677 /nfs/dbraw/zinc/92/36/77/367923677.db2.gz BXPZEDSCTHIALB-MGPQQGTHSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000386178460 367924239 /nfs/dbraw/zinc/92/42/39/367924239.db2.gz BXPZEDSCTHIALB-RDBSUJKOSA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000388604934 349251913 /nfs/dbraw/zinc/25/19/13/349251913.db2.gz UVHOYMLTJDSAMM-BQDHKBFISA-N 1 3 244.382 3.300 20 0 BGADHO CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000388604935 349251989 /nfs/dbraw/zinc/25/19/89/349251989.db2.gz UVHOYMLTJDSAMM-FWYOQMDTSA-N 1 3 244.382 3.300 20 0 BGADHO CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000388604939 349251950 /nfs/dbraw/zinc/25/19/50/349251950.db2.gz UVHOYMLTJDSAMM-IPOQPSJVSA-N 1 3 244.382 3.300 20 0 BGADHO CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000388604943 349251809 /nfs/dbraw/zinc/25/18/09/349251809.db2.gz UVHOYMLTJDSAMM-MEYUZBJRSA-N 1 3 244.382 3.300 20 0 BGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000389631352 357006597 /nfs/dbraw/zinc/00/65/97/357006597.db2.gz KDGBYJMMBYHULI-CABCVRRESA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000389631353 357006459 /nfs/dbraw/zinc/00/64/59/357006459.db2.gz KDGBYJMMBYHULI-GJZGRUSLSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000389631354 357006400 /nfs/dbraw/zinc/00/64/00/357006400.db2.gz KDGBYJMMBYHULI-HUUCEWRRSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000389631355 357006091 /nfs/dbraw/zinc/00/60/91/357006091.db2.gz KDGBYJMMBYHULI-LSDHHAIUSA-N 1 3 238.419 3.064 20 0 BGADHO CCCCCC[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000390363062 711114143 /nfs/dbraw/zinc/11/41/43/711114143.db2.gz SIAOPGJUFJVLOK-KBPBESRZSA-N 1 3 228.424 3.133 20 0 BGADHO CCCCCC[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000390363063 711113912 /nfs/dbraw/zinc/11/39/12/711113912.db2.gz SIAOPGJUFJVLOK-KGLIPLIRSA-N 1 3 228.424 3.133 20 0 BGADHO CCCCCC[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000390363064 711113607 /nfs/dbraw/zinc/11/36/07/711113607.db2.gz SIAOPGJUFJVLOK-UONOGXRCSA-N 1 3 228.424 3.133 20 0 BGADHO CCCCCC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000390363065 711114337 /nfs/dbraw/zinc/11/43/37/711114337.db2.gz SIAOPGJUFJVLOK-ZIAGYGMSSA-N 1 3 228.424 3.133 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000391172227 386464393 /nfs/dbraw/zinc/46/43/93/386464393.db2.gz HZFLWMUKKAIIDT-KBPBESRZSA-N 1 3 240.435 3.310 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000391172228 386464106 /nfs/dbraw/zinc/46/41/06/386464106.db2.gz HZFLWMUKKAIIDT-KGLIPLIRSA-N 1 3 240.435 3.310 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000391172231 386463919 /nfs/dbraw/zinc/46/39/19/386463919.db2.gz HZFLWMUKKAIIDT-UONOGXRCSA-N 1 3 240.435 3.310 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000391172232 386463686 /nfs/dbraw/zinc/46/36/86/386463686.db2.gz HZFLWMUKKAIIDT-ZIAGYGMSSA-N 1 3 240.435 3.310 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000391208423 386480868 /nfs/dbraw/zinc/48/08/68/386480868.db2.gz RBRQVYJRDUPHEY-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000391208424 386481052 /nfs/dbraw/zinc/48/10/52/386481052.db2.gz RBRQVYJRDUPHEY-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000391208426 386482406 /nfs/dbraw/zinc/48/24/06/386482406.db2.gz RBRQVYJRDUPHEY-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000391208428 386482164 /nfs/dbraw/zinc/48/21/64/386482164.db2.gz RBRQVYJRDUPHEY-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO CC(C)CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000391239130 386495272 /nfs/dbraw/zinc/49/52/72/386495272.db2.gz YBOMXTYLQGVHSM-KBPBESRZSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000391239131 386494818 /nfs/dbraw/zinc/49/48/18/386494818.db2.gz YBOMXTYLQGVHSM-KGLIPLIRSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000391239132 259421599 /nfs/dbraw/zinc/42/15/99/259421599.db2.gz YBOMXTYLQGVHSM-UONOGXRCSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000391239133 386495698 /nfs/dbraw/zinc/49/56/98/386495698.db2.gz YBOMXTYLQGVHSM-ZIAGYGMSSA-N 1 3 240.435 3.166 20 0 BGADHO CCC(CC)(CC)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000391239774 259421408 /nfs/dbraw/zinc/42/14/08/259421408.db2.gz NQSOTHKNIAQQKN-AWEZNQCLSA-N 1 3 240.435 3.182 20 0 BGADHO CCC(CC)(CC)C[NH2+]C[C@]1(C)CCCNC1 ZINC000391239775 386496846 /nfs/dbraw/zinc/49/68/46/386496846.db2.gz NQSOTHKNIAQQKN-CQSZACIVSA-N 1 3 240.435 3.182 20 0 BGADHO CCC(CC)(CC)C[NH2+]CC[C@@H](N)C(C)C ZINC000391241401 487475156 /nfs/dbraw/zinc/47/51/56/487475156.db2.gz JIRBORCSCBYPCZ-CYBMUJFWSA-N 1 3 228.424 3.166 20 0 BGADHO CCCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCC1 ZINC000391881944 386693513 /nfs/dbraw/zinc/69/35/13/386693513.db2.gz YPWUWMAHSRFKGV-KBPBESRZSA-N 1 3 238.419 3.064 20 0 BGADHO CCCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCC1 ZINC000391881945 386692100 /nfs/dbraw/zinc/69/21/00/386692100.db2.gz YPWUWMAHSRFKGV-KGLIPLIRSA-N 1 3 238.419 3.064 20 0 BGADHO CCCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCC1 ZINC000391881946 386693117 /nfs/dbraw/zinc/69/31/17/386693117.db2.gz YPWUWMAHSRFKGV-UONOGXRCSA-N 1 3 238.419 3.064 20 0 BGADHO CCCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCC1 ZINC000391881947 386691519 /nfs/dbraw/zinc/69/15/19/386691519.db2.gz YPWUWMAHSRFKGV-ZIAGYGMSSA-N 1 3 238.419 3.064 20 0 BGADHO CC(C)C(C[NH2+]CCCN(C)C(C)C)C(C)C ZINC000393851173 388444176 /nfs/dbraw/zinc/44/41/76/388444176.db2.gz RZJPQRHZNKVQRF-UHFFFAOYSA-N 1 3 242.451 3.235 20 0 BGADHO CC(C)CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000394039815 357316945 /nfs/dbraw/zinc/31/69/45/357316945.db2.gz JKZYYYIPSYHISQ-UHFFFAOYSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)CCC[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000394049981 357319237 /nfs/dbraw/zinc/31/92/37/357319237.db2.gz OMADHRGAMRWJKD-UHFFFAOYSA-N 1 3 240.435 3.321 20 0 BGADHO CC[C@@H](C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000394464503 487696565 /nfs/dbraw/zinc/69/65/65/487696565.db2.gz UZJTZUZPSFOXQM-CYBMUJFWSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000394464506 487696663 /nfs/dbraw/zinc/69/66/63/487696663.db2.gz UZJTZUZPSFOXQM-ZDUSSCGKSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)(C)N1CCC([NH2+]CCCC2CC2)CC1 ZINC000394496088 582987852 /nfs/dbraw/zinc/98/78/52/582987852.db2.gz VROVTGOUJFRYJX-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H](C[NH2+]CC1(C)CCCCCC1)CN(C)C ZINC000394585281 259375147 /nfs/dbraw/zinc/37/51/47/259375147.db2.gz GASAKOJYYHCCHO-AWEZNQCLSA-N 1 3 240.435 3.134 20 0 BGADHO C[C@H](C[NH2+]CC1(C)CCCCCC1)CN(C)C ZINC000394585282 259375096 /nfs/dbraw/zinc/37/50/96/259375096.db2.gz GASAKOJYYHCCHO-CQSZACIVSA-N 1 3 240.435 3.134 20 0 BGADHO C[C@@]1(CN)CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394604334 385319243 /nfs/dbraw/zinc/31/92/43/385319243.db2.gz FMAKKUPHOVJMFN-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO C[C@@]1(CN)CC[N@H+](CCC2CCCCCC2)C1 ZINC000394604334 385319232 /nfs/dbraw/zinc/31/92/32/385319232.db2.gz FMAKKUPHOVJMFN-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO C[C@]1(CN)CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394604339 262740456 /nfs/dbraw/zinc/74/04/56/262740456.db2.gz FMAKKUPHOVJMFN-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO C[C@]1(CN)CC[N@H+](CCC2CCCCCC2)C1 ZINC000394604339 262740454 /nfs/dbraw/zinc/74/04/54/262740454.db2.gz FMAKKUPHOVJMFN-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO [NH3+]C[C@@H]1CCCN(CCC2CCCCCC2)C1 ZINC000394606742 357367944 /nfs/dbraw/zinc/36/79/44/357367944.db2.gz GFCKHIODFJPEAV-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO NC[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394606742 357367940 /nfs/dbraw/zinc/36/79/40/357367940.db2.gz GFCKHIODFJPEAV-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO NC[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000394606742 357367937 /nfs/dbraw/zinc/36/79/37/357367937.db2.gz GFCKHIODFJPEAV-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO [NH3+]C[C@H]1CCCN(CCC2CCCCCC2)C1 ZINC000394606754 357367677 /nfs/dbraw/zinc/36/76/77/357367677.db2.gz GFCKHIODFJPEAV-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO NC[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394606754 357367673 /nfs/dbraw/zinc/36/76/73/357367673.db2.gz GFCKHIODFJPEAV-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO NC[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000394606754 357367667 /nfs/dbraw/zinc/36/76/67/357367667.db2.gz GFCKHIODFJPEAV-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO C[C@H]1C[C@H](N)CC[N@H+]1CCC1CCCCCC1 ZINC000394611926 357368853 /nfs/dbraw/zinc/36/88/53/357368853.db2.gz IFSNRZWZYMLMMV-DZGCQCFKSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@H]1C[C@H](N)CC[N@@H+]1CCC1CCCCCC1 ZINC000394611926 357368850 /nfs/dbraw/zinc/36/88/50/357368850.db2.gz IFSNRZWZYMLMMV-DZGCQCFKSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@H]1C[C@H]([NH3+])CCN1CCC1CCCCCC1 ZINC000394611926 357368848 /nfs/dbraw/zinc/36/88/48/357368848.db2.gz IFSNRZWZYMLMMV-DZGCQCFKSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CCC1CCCCCC1 ZINC000394611933 357368964 /nfs/dbraw/zinc/36/89/64/357368964.db2.gz IFSNRZWZYMLMMV-HIFRSBDPSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CCC1CCCCCC1 ZINC000394611933 357368963 /nfs/dbraw/zinc/36/89/63/357368963.db2.gz IFSNRZWZYMLMMV-HIFRSBDPSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC1CCCCCC1 ZINC000394611933 357368962 /nfs/dbraw/zinc/36/89/62/357368962.db2.gz IFSNRZWZYMLMMV-HIFRSBDPSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@H+]1CCC1CCCCCC1 ZINC000394611941 357368923 /nfs/dbraw/zinc/36/89/23/357368923.db2.gz IFSNRZWZYMLMMV-UKRRQHHQSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CCC1CCCCCC1 ZINC000394611941 357368920 /nfs/dbraw/zinc/36/89/20/357368920.db2.gz IFSNRZWZYMLMMV-UKRRQHHQSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC1CCCCCC1 ZINC000394611941 357368918 /nfs/dbraw/zinc/36/89/18/357368918.db2.gz IFSNRZWZYMLMMV-UKRRQHHQSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@H]1C[C@@H](N)CC[N@H+]1CCC1CCCCCC1 ZINC000394611945 357368959 /nfs/dbraw/zinc/36/89/59/357368959.db2.gz IFSNRZWZYMLMMV-ZFWWWQNUSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CCC1CCCCCC1 ZINC000394611945 357368958 /nfs/dbraw/zinc/36/89/58/357368958.db2.gz IFSNRZWZYMLMMV-ZFWWWQNUSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC1CCCCCC1 ZINC000394611945 357368957 /nfs/dbraw/zinc/36/89/57/357368957.db2.gz IFSNRZWZYMLMMV-ZFWWWQNUSA-N 1 3 238.419 3.159 20 0 BGADHO CC[C@@H]1CCC[C@H](CN2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000394628645 357364698 /nfs/dbraw/zinc/36/46/98/357364698.db2.gz OSTQYYPSUMZVOF-APIJFGDWSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N)C[C@H]2C)C1 ZINC000394628645 357364695 /nfs/dbraw/zinc/36/46/95/357364695.db2.gz OSTQYYPSUMZVOF-APIJFGDWSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N)C[C@H]2C)C1 ZINC000394628645 357364692 /nfs/dbraw/zinc/36/46/92/357364692.db2.gz OSTQYYPSUMZVOF-APIJFGDWSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](CN2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000394628647 357365300 /nfs/dbraw/zinc/36/53/00/357365300.db2.gz OSTQYYPSUMZVOF-KBXIAJHMSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N)C[C@H]2C)C1 ZINC000394628647 357365298 /nfs/dbraw/zinc/36/52/98/357365298.db2.gz OSTQYYPSUMZVOF-KBXIAJHMSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N)C[C@H]2C)C1 ZINC000394628647 357365294 /nfs/dbraw/zinc/36/52/94/357365294.db2.gz OSTQYYPSUMZVOF-KBXIAJHMSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](CN2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000394628650 357365130 /nfs/dbraw/zinc/36/51/30/357365130.db2.gz OSTQYYPSUMZVOF-LJISPDSOSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N)C[C@@H]2C)C1 ZINC000394628650 357365125 /nfs/dbraw/zinc/36/51/25/357365125.db2.gz OSTQYYPSUMZVOF-LJISPDSOSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N)C[C@@H]2C)C1 ZINC000394628650 357365121 /nfs/dbraw/zinc/36/51/21/357365121.db2.gz OSTQYYPSUMZVOF-LJISPDSOSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](CN2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000394628652 357365419 /nfs/dbraw/zinc/36/54/19/357365419.db2.gz OSTQYYPSUMZVOF-XGUBFFRZSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N)C[C@@H]2C)C1 ZINC000394628652 357365415 /nfs/dbraw/zinc/36/54/15/357365415.db2.gz OSTQYYPSUMZVOF-XGUBFFRZSA-N 1 3 238.419 3.014 20 0 BGADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N)C[C@@H]2C)C1 ZINC000394628652 357365413 /nfs/dbraw/zinc/36/54/13/357365413.db2.gz OSTQYYPSUMZVOF-XGUBFFRZSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@H]1CN(CCC2CCCCCC2)CC[C@H]1[NH3+] ZINC000394629573 347607273 /nfs/dbraw/zinc/60/72/73/347607273.db2.gz PKOJWZDJBJZXEU-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1CN(CCC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000394629574 347607415 /nfs/dbraw/zinc/60/74/15/347607415.db2.gz PKOJWZDJBJZXEU-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1CN(CCC2CCCCCC2)CC[C@H]1[NH3+] ZINC000394629575 347607492 /nfs/dbraw/zinc/60/74/92/347607492.db2.gz PKOJWZDJBJZXEU-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1CN(CCC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000394629577 347607612 /nfs/dbraw/zinc/60/76/12/347607612.db2.gz PKOJWZDJBJZXEU-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC1CCCCCC1 ZINC000394643926 348625497 /nfs/dbraw/zinc/62/54/97/348625497.db2.gz WCMNENSKPKGMLD-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC1CCCCCC1 ZINC000394643926 348625495 /nfs/dbraw/zinc/62/54/95/348625495.db2.gz WCMNENSKPKGMLD-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC1CCCCCC1 ZINC000394643927 348625693 /nfs/dbraw/zinc/62/56/93/348625693.db2.gz WCMNENSKPKGMLD-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC1CCCCCC1 ZINC000394643927 348625691 /nfs/dbraw/zinc/62/56/91/348625691.db2.gz WCMNENSKPKGMLD-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC1CCCCCC1 ZINC000394643930 348625531 /nfs/dbraw/zinc/62/55/31/348625531.db2.gz WCMNENSKPKGMLD-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC1CCCCCC1 ZINC000394643930 348625529 /nfs/dbraw/zinc/62/55/29/348625529.db2.gz WCMNENSKPKGMLD-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC1CCCCCC1 ZINC000394643932 348625559 /nfs/dbraw/zinc/62/55/59/348625559.db2.gz WCMNENSKPKGMLD-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC1CCCCCC1 ZINC000394643932 348625557 /nfs/dbraw/zinc/62/55/57/348625557.db2.gz WCMNENSKPKGMLD-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CCCC12CCC2 ZINC000394805538 386430020 /nfs/dbraw/zinc/43/00/20/386430020.db2.gz WEYKSNRCSAGLMC-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394805541 386431248 /nfs/dbraw/zinc/43/12/48/386431248.db2.gz WEYKSNRCSAGLMC-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CCCC12CCC2 ZINC000394824039 397925660 /nfs/dbraw/zinc/92/56/60/397925660.db2.gz VYUQYRYHLQRQDN-AWEZNQCLSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394824040 397925603 /nfs/dbraw/zinc/92/56/03/397925603.db2.gz VYUQYRYHLQRQDN-CQSZACIVSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000395004765 386802510 /nfs/dbraw/zinc/80/25/10/386802510.db2.gz HBBBUYGKKKZWQM-HZSPNIEDSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000395004767 386803243 /nfs/dbraw/zinc/80/32/43/386803243.db2.gz HBBBUYGKKKZWQM-MCIONIFRSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000395004768 386802635 /nfs/dbraw/zinc/80/26/35/386802635.db2.gz HBBBUYGKKKZWQM-MGPQQGTHSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000395004770 386802974 /nfs/dbraw/zinc/80/29/74/386802974.db2.gz HBBBUYGKKKZWQM-RDBSUJKOSA-N 1 3 238.419 3.028 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H](C)CC(C)(C)C ZINC000395030632 323185314 /nfs/dbraw/zinc/18/53/14/323185314.db2.gz HECVUZZHMJBFPP-CYBMUJFWSA-N 1 3 228.424 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000395030634 323185285 /nfs/dbraw/zinc/18/52/85/323185285.db2.gz HECVUZZHMJBFPP-ZDUSSCGKSA-N 1 3 228.424 3.131 20 0 BGADHO C[C@H]1CN(CCCC2CCCCC2)CC[C@H]1[NH3+] ZINC000395154627 386949008 /nfs/dbraw/zinc/94/90/08/386949008.db2.gz FWCUIJRRPSRRQM-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1CN(CCCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000395154628 386948112 /nfs/dbraw/zinc/94/81/12/386948112.db2.gz FWCUIJRRPSRRQM-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1CN(CCCC2CCCCC2)CC[C@H]1[NH3+] ZINC000395154630 386949123 /nfs/dbraw/zinc/94/91/23/386949123.db2.gz FWCUIJRRPSRRQM-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1CN(CCCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000395154631 386948835 /nfs/dbraw/zinc/94/88/35/386948835.db2.gz FWCUIJRRPSRRQM-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1CCCCN1CCC[NH2+]C1CC(C)(C)C1 ZINC000395166876 262766566 /nfs/dbraw/zinc/76/65/66/262766566.db2.gz DEQVVLPHSBBXRN-CYBMUJFWSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]1CCCCN1CCC[NH2+]C1CC(C)(C)C1 ZINC000395166878 386954783 /nfs/dbraw/zinc/95/47/83/386954783.db2.gz DEQVVLPHSBBXRN-ZDUSSCGKSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCC1CCCCC1 ZINC000395191057 386981391 /nfs/dbraw/zinc/98/13/91/386981391.db2.gz IJQAJMOAVSTWGI-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCC1CCCCC1 ZINC000395191057 386981386 /nfs/dbraw/zinc/98/13/86/386981386.db2.gz IJQAJMOAVSTWGI-DZGCQCFKSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCC1CCCCC1 ZINC000395191059 386981329 /nfs/dbraw/zinc/98/13/29/386981329.db2.gz IJQAJMOAVSTWGI-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCC1CCCCC1 ZINC000395191059 386981326 /nfs/dbraw/zinc/98/13/26/386981326.db2.gz IJQAJMOAVSTWGI-HIFRSBDPSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCC1CCCCC1 ZINC000395191061 386980562 /nfs/dbraw/zinc/98/05/62/386980562.db2.gz IJQAJMOAVSTWGI-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCC1CCCCC1 ZINC000395191061 386980557 /nfs/dbraw/zinc/98/05/57/386980557.db2.gz IJQAJMOAVSTWGI-UKRRQHHQSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCC1CCCCC1 ZINC000395191062 386979737 /nfs/dbraw/zinc/97/97/37/386979737.db2.gz IJQAJMOAVSTWGI-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCC1CCCCC1 ZINC000395191062 386979726 /nfs/dbraw/zinc/97/97/26/386979726.db2.gz IJQAJMOAVSTWGI-ZFWWWQNUSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@]1(CN)CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395196521 262768496 /nfs/dbraw/zinc/76/84/96/262768496.db2.gz KKEBKLWMXNYLRD-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO C[C@@]1(CN)CC[N@H+](CCCC2CCCCC2)C1 ZINC000395196521 262768495 /nfs/dbraw/zinc/76/84/95/262768495.db2.gz KKEBKLWMXNYLRD-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO C[C@]1(CN)CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395196522 386985065 /nfs/dbraw/zinc/98/50/65/386985065.db2.gz KKEBKLWMXNYLRD-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO C[C@]1(CN)CC[N@H+](CCCC2CCCCC2)C1 ZINC000395196522 386985062 /nfs/dbraw/zinc/98/50/62/386985062.db2.gz KKEBKLWMXNYLRD-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO C[C@H]1C[C@H]([NH3+])CCN1CCCC1CCCCC1 ZINC000395215053 357428442 /nfs/dbraw/zinc/42/84/42/357428442.db2.gz REYMCHUFBZCBLG-DZGCQCFKSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCC1CCCCC1 ZINC000395215055 357427956 /nfs/dbraw/zinc/42/79/56/357427956.db2.gz REYMCHUFBZCBLG-HIFRSBDPSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCC1CCCCC1 ZINC000395215058 357428122 /nfs/dbraw/zinc/42/81/22/357428122.db2.gz REYMCHUFBZCBLG-UKRRQHHQSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCC1CCCCC1 ZINC000395215059 357428291 /nfs/dbraw/zinc/42/82/91/357428291.db2.gz REYMCHUFBZCBLG-ZFWWWQNUSA-N 1 3 238.419 3.159 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000395230994 323222314 /nfs/dbraw/zinc/22/23/14/323222314.db2.gz VVPDHAPSUXOYDU-AGIUHOORSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000395230995 323222354 /nfs/dbraw/zinc/22/23/54/323222354.db2.gz VVPDHAPSUXOYDU-FRRDWIJNSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000395230999 323222432 /nfs/dbraw/zinc/22/24/32/323222432.db2.gz VVPDHAPSUXOYDU-JHJVBQTASA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000395231002 323222369 /nfs/dbraw/zinc/22/23/69/323222369.db2.gz VVPDHAPSUXOYDU-UPJWGTAASA-N 1 3 226.408 3.061 20 0 BGADHO [NH3+]C[C@@H]1CCCN(CCCC2CCCCC2)C1 ZINC000395234485 357429035 /nfs/dbraw/zinc/42/90/35/357429035.db2.gz WTDQTCQFVPKDJF-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO NC[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395234485 357429033 /nfs/dbraw/zinc/42/90/33/357429033.db2.gz WTDQTCQFVPKDJF-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO NC[C@@H]1CCC[N@H+](CCCC2CCCCC2)C1 ZINC000395234485 357429026 /nfs/dbraw/zinc/42/90/26/357429026.db2.gz WTDQTCQFVPKDJF-HNNXBMFYSA-N 1 3 238.419 3.018 20 0 BGADHO [NH3+]C[C@H]1CCCN(CCCC2CCCCC2)C1 ZINC000395234486 357429224 /nfs/dbraw/zinc/42/92/24/357429224.db2.gz WTDQTCQFVPKDJF-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO NC[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395234486 357429219 /nfs/dbraw/zinc/42/92/19/357429219.db2.gz WTDQTCQFVPKDJF-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO NC[C@H]1CCC[N@H+](CCCC2CCCCC2)C1 ZINC000395234486 357429216 /nfs/dbraw/zinc/42/92/16/357429216.db2.gz WTDQTCQFVPKDJF-OAHLLOKOSA-N 1 3 238.419 3.018 20 0 BGADHO CCC(CC)(CC)C[N@H+]1CCC[C@@H](CNC)C1 ZINC000395237800 323222775 /nfs/dbraw/zinc/22/27/75/323222775.db2.gz SJXITIIXWWZWAA-AWEZNQCLSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)(CC)C[N@@H+]1CCC[C@@H](CNC)C1 ZINC000395237800 323222773 /nfs/dbraw/zinc/22/27/73/323222773.db2.gz SJXITIIXWWZWAA-AWEZNQCLSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)(CC)C[N@H+]1CCC[C@H](CNC)C1 ZINC000395237802 323222793 /nfs/dbraw/zinc/22/27/93/323222793.db2.gz SJXITIIXWWZWAA-CQSZACIVSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)(CC)C[N@@H+]1CCC[C@H](CNC)C1 ZINC000395237802 323222792 /nfs/dbraw/zinc/22/27/92/323222792.db2.gz SJXITIIXWWZWAA-CQSZACIVSA-N 1 3 240.435 3.134 20 0 BGADHO CC[C@H]([NH2+]CCCN1CCCC1)C1CCCC1 ZINC000395701117 387308960 /nfs/dbraw/zinc/30/89/60/387308960.db2.gz LGXQGQUNOHEMQU-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@@H]([NH2+]CCCN1CCCC1)C1CCCC1 ZINC000395701119 387309681 /nfs/dbraw/zinc/30/96/81/387309681.db2.gz LGXQGQUNOHEMQU-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CC(C)c1ccc(C[NH2+][C@H]2CCCN[C@H]2C)cc1 ZINC000396690291 387482468 /nfs/dbraw/zinc/48/24/68/387482468.db2.gz KQZXNQYIXCRJBF-BBRMVZONSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)c1ccc(C[NH2+][C@H]2CCCN[C@@H]2C)cc1 ZINC000396690297 387481829 /nfs/dbraw/zinc/48/18/29/387481829.db2.gz KQZXNQYIXCRJBF-CJNGLKHVSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)c1ccc(C[NH2+][C@@H]2CCCN[C@@H]2C)cc1 ZINC000396690300 387482724 /nfs/dbraw/zinc/48/27/24/387482724.db2.gz KQZXNQYIXCRJBF-CZUORRHYSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)c1ccc(C[NH2+][C@@H]2CCCN[C@H]2C)cc1 ZINC000396690305 387482443 /nfs/dbraw/zinc/48/24/43/387482443.db2.gz KQZXNQYIXCRJBF-XJKSGUPXSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)=CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000397746437 388495919 /nfs/dbraw/zinc/49/59/19/388495919.db2.gz NCTJCVHGSUZGDN-CABCVRRESA-N 1 3 238.419 3.243 20 0 BGADHO CC(C)=CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000397746438 388495762 /nfs/dbraw/zinc/49/57/62/388495762.db2.gz NCTJCVHGSUZGDN-GJZGRUSLSA-N 1 3 238.419 3.243 20 0 BGADHO CC(C)=CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000397746440 388495840 /nfs/dbraw/zinc/49/58/40/388495840.db2.gz NCTJCVHGSUZGDN-HUUCEWRRSA-N 1 3 238.419 3.243 20 0 BGADHO CC(C)=CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000397746442 388495827 /nfs/dbraw/zinc/49/58/27/388495827.db2.gz NCTJCVHGSUZGDN-LSDHHAIUSA-N 1 3 238.419 3.243 20 0 BGADHO C[C@H](CCC1CC1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398020529 388514544 /nfs/dbraw/zinc/51/45/44/388514544.db2.gz CVWSJVOIUVNUHT-HFBAOOFYSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](CCC1CC1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398020531 388515077 /nfs/dbraw/zinc/51/50/77/388515077.db2.gz CVWSJVOIUVNUHT-LYRGGWFBSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](CCC1CC1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398020533 388515052 /nfs/dbraw/zinc/51/50/52/388515052.db2.gz CVWSJVOIUVNUHT-RLCCDNCMSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](CCC1CC1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398020535 388514474 /nfs/dbraw/zinc/51/44/74/388514474.db2.gz CVWSJVOIUVNUHT-XFBWCDHKSA-N 1 3 244.382 3.300 20 0 BGADHO [NH3+]CCCN(CCC1CCC1)Cc1ccccc1 ZINC000398928454 488225248 /nfs/dbraw/zinc/22/52/48/488225248.db2.gz QIBOPYJCUGJPFZ-UHFFFAOYSA-N 1 3 246.398 3.028 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)NC2)c(C)c1 ZINC000399015545 364722634 /nfs/dbraw/zinc/72/26/34/364722634.db2.gz DDXPUWOKRPPGPO-ILXRZTDVSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)NC2)c(C)c1 ZINC000399015546 364722522 /nfs/dbraw/zinc/72/25/22/364722522.db2.gz DDXPUWOKRPPGPO-KKUMJFAQSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)NC2)c(C)c1 ZINC000399015547 364722580 /nfs/dbraw/zinc/72/25/80/364722580.db2.gz DDXPUWOKRPPGPO-QLFBSQMISA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)NC2)c(C)c1 ZINC000399015548 364722880 /nfs/dbraw/zinc/72/28/80/364722880.db2.gz DDXPUWOKRPPGPO-SOUVJXGZSA-N 1 3 246.398 3.095 20 0 BGADHO CCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399018784 711419209 /nfs/dbraw/zinc/41/92/09/711419209.db2.gz DHCDWMFJSFRHFL-HZSPNIEDSA-N 1 3 226.408 3.075 20 0 BGADHO CCCCCC[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000399018787 711418772 /nfs/dbraw/zinc/41/87/72/711418772.db2.gz DHCDWMFJSFRHFL-IHRRRGAJSA-N 1 3 226.408 3.075 20 0 BGADHO CCCCCC[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399018789 711418922 /nfs/dbraw/zinc/41/89/22/711418922.db2.gz DHCDWMFJSFRHFL-MELADBBJSA-N 1 3 226.408 3.075 20 0 BGADHO CCCCCC[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399018791 711418431 /nfs/dbraw/zinc/41/84/31/711418431.db2.gz DHCDWMFJSFRHFL-RDBSUJKOSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCCN1 ZINC000400337903 528927488 /nfs/dbraw/zinc/92/74/88/528927488.db2.gz GQCAHHNKDFIQTG-HZSPNIEDSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400337903 528927484 /nfs/dbraw/zinc/92/74/84/528927484.db2.gz GQCAHHNKDFIQTG-HZSPNIEDSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000400337904 528927797 /nfs/dbraw/zinc/92/77/97/528927797.db2.gz GQCAHHNKDFIQTG-IHRRRGAJSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337904 528927791 /nfs/dbraw/zinc/92/77/91/528927791.db2.gz GQCAHHNKDFIQTG-IHRRRGAJSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000400337905 528927426 /nfs/dbraw/zinc/92/74/26/528927426.db2.gz GQCAHHNKDFIQTG-MELADBBJSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400337905 528927424 /nfs/dbraw/zinc/92/74/24/528927424.db2.gz GQCAHHNKDFIQTG-MELADBBJSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000400337906 528928151 /nfs/dbraw/zinc/92/81/51/528928151.db2.gz GQCAHHNKDFIQTG-RDBSUJKOSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337906 528928149 /nfs/dbraw/zinc/92/81/49/528928149.db2.gz GQCAHHNKDFIQTG-RDBSUJKOSA-N 1 3 226.408 3.075 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCCCC1 ZINC000400482340 410051680 /nfs/dbraw/zinc/05/16/80/410051680.db2.gz CJSYTYPGAPRYBF-AEGPPILISA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000400482340 410051675 /nfs/dbraw/zinc/05/16/75/410051675.db2.gz CJSYTYPGAPRYBF-AEGPPILISA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCCCC1 ZINC000400482341 410052039 /nfs/dbraw/zinc/05/20/39/410052039.db2.gz CJSYTYPGAPRYBF-QEJZJMRPSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000400482341 410052033 /nfs/dbraw/zinc/05/20/33/410052033.db2.gz CJSYTYPGAPRYBF-QEJZJMRPSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCCCC1 ZINC000400482342 410051885 /nfs/dbraw/zinc/05/18/85/410051885.db2.gz CJSYTYPGAPRYBF-SNPRPXQTSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000400482342 410051882 /nfs/dbraw/zinc/05/18/82/410051882.db2.gz CJSYTYPGAPRYBF-SNPRPXQTSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCCCC1 ZINC000400482345 410052022 /nfs/dbraw/zinc/05/20/22/410052022.db2.gz CJSYTYPGAPRYBF-VHDGCEQUSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000400482345 410052018 /nfs/dbraw/zinc/05/20/18/410052018.db2.gz CJSYTYPGAPRYBF-VHDGCEQUSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC1CCC([NH2+][C@@H](C)[C@@H]2CCCN2)CC1 ZINC000400620540 359346828 /nfs/dbraw/zinc/34/68/28/359346828.db2.gz JJVDBTKXQPBTND-PPWQZUPISA-N 1 3 238.419 3.075 20 0 BGADHO CCCC1CCC([NH2+][C@H](C)[C@@H]2CCCN2)CC1 ZINC000400620548 528079224 /nfs/dbraw/zinc/07/92/24/528079224.db2.gz JJVDBTKXQPBTND-URGYJCLVSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC1CCC([NH2+][C@@H](C)[C@H]2CCCN2)CC1 ZINC000400620554 528079885 /nfs/dbraw/zinc/07/98/85/528079885.db2.gz JJVDBTKXQPBTND-VXGQWTEUSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC1CCC([NH2+][C@H](C)[C@H]2CCCN2)CC1 ZINC000400620559 528080236 /nfs/dbraw/zinc/08/02/36/528080236.db2.gz JJVDBTKXQPBTND-XSCHDIRWSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)(CC[N@H+]1CCCC[C@H]1CCN)C1CC1 ZINC000405982728 487585603 /nfs/dbraw/zinc/58/56/03/487585603.db2.gz BCANGPODXSZIML-AWEZNQCLSA-N 1 3 238.419 3.016 20 0 BGADHO CC(C)(CC[N@@H+]1CCCC[C@H]1CCN)C1CC1 ZINC000405982728 487585597 /nfs/dbraw/zinc/58/55/97/487585597.db2.gz BCANGPODXSZIML-AWEZNQCLSA-N 1 3 238.419 3.016 20 0 BGADHO CC(C)(CC[N@H+]1CCCC[C@@H]1CCN)C1CC1 ZINC000405982731 487495432 /nfs/dbraw/zinc/49/54/32/487495432.db2.gz BCANGPODXSZIML-CQSZACIVSA-N 1 3 238.419 3.016 20 0 BGADHO CC(C)(CC[N@@H+]1CCCC[C@@H]1CCN)C1CC1 ZINC000405982731 487495426 /nfs/dbraw/zinc/49/54/26/487495426.db2.gz BCANGPODXSZIML-CQSZACIVSA-N 1 3 238.419 3.016 20 0 BGADHO CN(CCCC1CCCCC1)C1CC[NH2+]CC1 ZINC000414659105 398007474 /nfs/dbraw/zinc/00/74/74/398007474.db2.gz RUBOGPUIOKSLAA-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CN(CCC1CCCCCC1)C1CC[NH2+]CC1 ZINC000414662879 386102084 /nfs/dbraw/zinc/10/20/84/386102084.db2.gz ZYHLXIOQZAIGST-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CCCN(CCC[NH3+])[C@@H](CC)c1ccccc1 ZINC000414675563 386154221 /nfs/dbraw/zinc/15/42/21/386154221.db2.gz MDMZXDJYTBTQEL-HNNXBMFYSA-N 1 3 234.387 3.199 20 0 BGADHO CCC[N@@H+](CCCN)[C@@H](CC)c1ccccc1 ZINC000414675563 386154217 /nfs/dbraw/zinc/15/42/17/386154217.db2.gz MDMZXDJYTBTQEL-HNNXBMFYSA-N 1 3 234.387 3.199 20 0 BGADHO CCC[N@H+](CCCN)[C@@H](CC)c1ccccc1 ZINC000414675563 386154214 /nfs/dbraw/zinc/15/42/14/386154214.db2.gz MDMZXDJYTBTQEL-HNNXBMFYSA-N 1 3 234.387 3.199 20 0 BGADHO CCCN(CCC[NH3+])[C@H](CC)c1ccccc1 ZINC000414675564 386155670 /nfs/dbraw/zinc/15/56/70/386155670.db2.gz MDMZXDJYTBTQEL-OAHLLOKOSA-N 1 3 234.387 3.199 20 0 BGADHO CCC[N@@H+](CCCN)[C@H](CC)c1ccccc1 ZINC000414675564 386155666 /nfs/dbraw/zinc/15/56/66/386155666.db2.gz MDMZXDJYTBTQEL-OAHLLOKOSA-N 1 3 234.387 3.199 20 0 BGADHO CCC[N@H+](CCCN)[C@H](CC)c1ccccc1 ZINC000414675564 386155660 /nfs/dbraw/zinc/15/56/60/386155660.db2.gz MDMZXDJYTBTQEL-OAHLLOKOSA-N 1 3 234.387 3.199 20 0 BGADHO CCN(CCC[NH3+])Cc1ccc2ccccc2c1 ZINC000414679890 386162429 /nfs/dbraw/zinc/16/24/29/386162429.db2.gz SIUGCFMKBKSIEZ-UHFFFAOYSA-N 1 3 242.366 3.011 20 0 BGADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000414682107 386167867 /nfs/dbraw/zinc/16/78/67/386167867.db2.gz QPJDQGYFGAJRCD-CVEARBPZSA-N 1 3 246.398 3.197 20 0 BGADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000414682107 386167866 /nfs/dbraw/zinc/16/78/66/386167866.db2.gz QPJDQGYFGAJRCD-CVEARBPZSA-N 1 3 246.398 3.197 20 0 BGADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000414682109 386166992 /nfs/dbraw/zinc/16/69/92/386166992.db2.gz QPJDQGYFGAJRCD-HOTGVXAUSA-N 1 3 246.398 3.197 20 0 BGADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000414682109 386166987 /nfs/dbraw/zinc/16/69/87/386166987.db2.gz QPJDQGYFGAJRCD-HOTGVXAUSA-N 1 3 246.398 3.197 20 0 BGADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000414682111 386168397 /nfs/dbraw/zinc/16/83/97/386168397.db2.gz QPJDQGYFGAJRCD-HZPDHXFCSA-N 1 3 246.398 3.197 20 0 BGADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000414682111 386168391 /nfs/dbraw/zinc/16/83/91/386168391.db2.gz QPJDQGYFGAJRCD-HZPDHXFCSA-N 1 3 246.398 3.197 20 0 BGADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000414682112 386167983 /nfs/dbraw/zinc/16/79/83/386167983.db2.gz QPJDQGYFGAJRCD-JKSUJKDBSA-N 1 3 246.398 3.197 20 0 BGADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000414682112 386167979 /nfs/dbraw/zinc/16/79/79/386167979.db2.gz QPJDQGYFGAJRCD-JKSUJKDBSA-N 1 3 246.398 3.197 20 0 BGADHO CCCCC[N@@H+](CCCN)[C@H](C)CCC ZINC000414686951 386177429 /nfs/dbraw/zinc/17/74/29/386177429.db2.gz GOWJHBPAXUNBED-CYBMUJFWSA-N 1 3 214.397 3.016 20 0 BGADHO CCCCC[N@H+](CCCN)[C@H](C)CCC ZINC000414686951 386177423 /nfs/dbraw/zinc/17/74/23/386177423.db2.gz GOWJHBPAXUNBED-CYBMUJFWSA-N 1 3 214.397 3.016 20 0 BGADHO CCCCC[N@@H+](CCCN)[C@@H](C)CCC ZINC000414686952 386177204 /nfs/dbraw/zinc/17/72/04/386177204.db2.gz GOWJHBPAXUNBED-ZDUSSCGKSA-N 1 3 214.397 3.016 20 0 BGADHO CCCCC[N@H+](CCCN)[C@@H](C)CCC ZINC000414686952 386177198 /nfs/dbraw/zinc/17/71/98/386177198.db2.gz GOWJHBPAXUNBED-ZDUSSCGKSA-N 1 3 214.397 3.016 20 0 BGADHO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCNC(C)(C)C ZINC000414687889 386180982 /nfs/dbraw/zinc/18/09/82/386180982.db2.gz CPZDARJYDDZCLA-HZSPNIEDSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCNC(C)(C)C ZINC000414687889 386180980 /nfs/dbraw/zinc/18/09/80/386180980.db2.gz CPZDARJYDDZCLA-HZSPNIEDSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCNC(C)(C)C ZINC000414687891 386180596 /nfs/dbraw/zinc/18/05/96/386180596.db2.gz CPZDARJYDDZCLA-MCIONIFRSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCNC(C)(C)C ZINC000414687891 386180594 /nfs/dbraw/zinc/18/05/94/386180594.db2.gz CPZDARJYDDZCLA-MCIONIFRSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCNC(C)(C)C ZINC000414687894 386180562 /nfs/dbraw/zinc/18/05/62/386180562.db2.gz CPZDARJYDDZCLA-MGPQQGTHSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCNC(C)(C)C ZINC000414687894 386180560 /nfs/dbraw/zinc/18/05/60/386180560.db2.gz CPZDARJYDDZCLA-MGPQQGTHSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCNC(C)(C)C ZINC000414687896 386180218 /nfs/dbraw/zinc/18/02/18/386180218.db2.gz CPZDARJYDDZCLA-RDBSUJKOSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCNC(C)(C)C ZINC000414687896 386180211 /nfs/dbraw/zinc/18/02/11/386180211.db2.gz CPZDARJYDDZCLA-RDBSUJKOSA-N 1 3 238.419 3.028 20 0 BGADHO CCN(CCC[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000414690795 386186340 /nfs/dbraw/zinc/18/63/40/386186340.db2.gz NUOAGVYZMONRPM-GFCCVEGCSA-N 1 3 246.354 3.165 20 0 BGADHO CCN(CCC[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000414690804 386185533 /nfs/dbraw/zinc/18/55/33/386185533.db2.gz NUOAGVYZMONRPM-LBPRGKRZSA-N 1 3 246.354 3.165 20 0 BGADHO Cc1cccc([C@@H]2CCCCCN2CCC[NH3+])c1 ZINC000414693841 386191999 /nfs/dbraw/zinc/19/19/99/386191999.db2.gz FLHVPDAJTQIGCN-INIZCTEOSA-N 1 3 246.398 3.261 20 0 BGADHO Cc1cccc([C@@H]2CCCCC[N@H+]2CCCN)c1 ZINC000414693841 386191988 /nfs/dbraw/zinc/19/19/88/386191988.db2.gz FLHVPDAJTQIGCN-INIZCTEOSA-N 1 3 246.398 3.261 20 0 BGADHO Cc1cccc([C@@H]2CCCCC[N@@H+]2CCCN)c1 ZINC000414693841 386191985 /nfs/dbraw/zinc/19/19/85/386191985.db2.gz FLHVPDAJTQIGCN-INIZCTEOSA-N 1 3 246.398 3.261 20 0 BGADHO Cc1cccc([C@H]2CCCCCN2CCC[NH3+])c1 ZINC000414693846 386190474 /nfs/dbraw/zinc/19/04/74/386190474.db2.gz FLHVPDAJTQIGCN-MRXNPFEDSA-N 1 3 246.398 3.261 20 0 BGADHO Cc1cccc([C@H]2CCCCC[N@H+]2CCCN)c1 ZINC000414693846 386190467 /nfs/dbraw/zinc/19/04/67/386190467.db2.gz FLHVPDAJTQIGCN-MRXNPFEDSA-N 1 3 246.398 3.261 20 0 BGADHO Cc1cccc([C@H]2CCCCC[N@@H+]2CCCN)c1 ZINC000414693846 386190462 /nfs/dbraw/zinc/19/04/62/386190462.db2.gz FLHVPDAJTQIGCN-MRXNPFEDSA-N 1 3 246.398 3.261 20 0 BGADHO CC(C)(C)c1ccc(C(C)(C)NCCC[NH3+])cc1 ZINC000414696916 487817324 /nfs/dbraw/zinc/81/73/24/487817324.db2.gz BSCGHTDBCFAZNN-UHFFFAOYSA-N 1 3 248.414 3.158 20 0 BGADHO Cc1ccc([C@H]2[C@H](C)CCCN2CCC[NH3+])cc1 ZINC000414706932 386222555 /nfs/dbraw/zinc/22/25/55/386222555.db2.gz OVDWROXCENOJHU-GDBMZVCRSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CCCN)cc1 ZINC000414706932 386222547 /nfs/dbraw/zinc/22/25/47/386222547.db2.gz OVDWROXCENOJHU-GDBMZVCRSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCCN)cc1 ZINC000414706932 386222540 /nfs/dbraw/zinc/22/25/40/386222540.db2.gz OVDWROXCENOJHU-GDBMZVCRSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@H]2[C@@H](C)CCCN2CCC[NH3+])cc1 ZINC000414706936 386223340 /nfs/dbraw/zinc/22/33/40/386223340.db2.gz OVDWROXCENOJHU-GOEBONIOSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CCCN)cc1 ZINC000414706936 386223336 /nfs/dbraw/zinc/22/33/36/386223336.db2.gz OVDWROXCENOJHU-GOEBONIOSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCCN)cc1 ZINC000414706936 386223331 /nfs/dbraw/zinc/22/33/31/386223331.db2.gz OVDWROXCENOJHU-GOEBONIOSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@@H]2[C@@H](C)CCCN2CCC[NH3+])cc1 ZINC000414706940 386221976 /nfs/dbraw/zinc/22/19/76/386221976.db2.gz OVDWROXCENOJHU-HOCLYGCPSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CCCN)cc1 ZINC000414706940 386221975 /nfs/dbraw/zinc/22/19/75/386221975.db2.gz OVDWROXCENOJHU-HOCLYGCPSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCCN)cc1 ZINC000414706940 386221974 /nfs/dbraw/zinc/22/19/74/386221974.db2.gz OVDWROXCENOJHU-HOCLYGCPSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@@H]2[C@H](C)CCCN2CCC[NH3+])cc1 ZINC000414706944 386221502 /nfs/dbraw/zinc/22/15/02/386221502.db2.gz OVDWROXCENOJHU-ZBFHGGJFSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CCCN)cc1 ZINC000414706944 386221499 /nfs/dbraw/zinc/22/14/99/386221499.db2.gz OVDWROXCENOJHU-ZBFHGGJFSA-N 1 3 246.398 3.117 20 0 BGADHO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCCN)cc1 ZINC000414706944 386221496 /nfs/dbraw/zinc/22/14/96/386221496.db2.gz OVDWROXCENOJHU-ZBFHGGJFSA-N 1 3 246.398 3.117 20 0 BGADHO CC(C)c1ccc([C@@H]2CCCN2CCC[NH3+])cc1 ZINC000414707570 487818942 /nfs/dbraw/zinc/81/89/42/487818942.db2.gz OGHZSIILGNIZBJ-INIZCTEOSA-N 1 3 246.398 3.296 20 0 BGADHO CC(C)c1ccc([C@H]2CCCN2CCC[NH3+])cc1 ZINC000414707574 487819072 /nfs/dbraw/zinc/81/90/72/487819072.db2.gz OGHZSIILGNIZBJ-MRXNPFEDSA-N 1 3 246.398 3.296 20 0 BGADHO CC[N@@H+](C[C@H](C)CC(C)C)[C@H]1CCCNCC1 ZINC000414707819 386218537 /nfs/dbraw/zinc/21/85/37/386218537.db2.gz CGDXREAVJPHIGO-CABCVRRESA-N 1 3 240.435 3.133 20 0 BGADHO CC[N@H+](C[C@H](C)CC(C)C)[C@H]1CCCNCC1 ZINC000414707819 386218531 /nfs/dbraw/zinc/21/85/31/386218531.db2.gz CGDXREAVJPHIGO-CABCVRRESA-N 1 3 240.435 3.133 20 0 BGADHO CC[N@@H+](C[C@@H](C)CC(C)C)[C@H]1CCCNCC1 ZINC000414707827 386218725 /nfs/dbraw/zinc/21/87/25/386218725.db2.gz CGDXREAVJPHIGO-GJZGRUSLSA-N 1 3 240.435 3.133 20 0 BGADHO CC[N@H+](C[C@@H](C)CC(C)C)[C@H]1CCCNCC1 ZINC000414707827 386218719 /nfs/dbraw/zinc/21/87/19/386218719.db2.gz CGDXREAVJPHIGO-GJZGRUSLSA-N 1 3 240.435 3.133 20 0 BGADHO CC[N@@H+](C[C@H](C)CC(C)C)[C@@H]1CCCNCC1 ZINC000414707829 386218744 /nfs/dbraw/zinc/21/87/44/386218744.db2.gz CGDXREAVJPHIGO-HUUCEWRRSA-N 1 3 240.435 3.133 20 0 BGADHO CC[N@H+](C[C@H](C)CC(C)C)[C@@H]1CCCNCC1 ZINC000414707829 386218740 /nfs/dbraw/zinc/21/87/40/386218740.db2.gz CGDXREAVJPHIGO-HUUCEWRRSA-N 1 3 240.435 3.133 20 0 BGADHO CC[N@@H+](C[C@@H](C)CC(C)C)[C@@H]1CCCNCC1 ZINC000414707831 386220571 /nfs/dbraw/zinc/22/05/71/386220571.db2.gz CGDXREAVJPHIGO-LSDHHAIUSA-N 1 3 240.435 3.133 20 0 BGADHO CC[N@H+](C[C@@H](C)CC(C)C)[C@@H]1CCCNCC1 ZINC000414707831 386220567 /nfs/dbraw/zinc/22/05/67/386220567.db2.gz CGDXREAVJPHIGO-LSDHHAIUSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)C[C@H](N)C[NH2+]C1(c2ccccc2)CCC1 ZINC000414708976 386221934 /nfs/dbraw/zinc/22/19/34/386221934.db2.gz OHPNZOQRJCPSNS-HNNXBMFYSA-N 1 3 246.398 3.029 20 0 BGADHO CC(C)C[C@@H](N)C[NH2+]C1(c2ccccc2)CCC1 ZINC000414708979 386221828 /nfs/dbraw/zinc/22/18/28/386221828.db2.gz OHPNZOQRJCPSNS-OAHLLOKOSA-N 1 3 246.398 3.029 20 0 BGADHO Cc1cccc([C@@H]2CCCCN2CCC[NH3+])c1C ZINC000414713531 386233711 /nfs/dbraw/zinc/23/37/11/386233711.db2.gz WBGDYEDRHUQPPQ-INIZCTEOSA-N 1 3 246.398 3.179 20 0 BGADHO Cc1cccc([C@@H]2CCCC[N@H+]2CCCN)c1C ZINC000414713531 386233708 /nfs/dbraw/zinc/23/37/08/386233708.db2.gz WBGDYEDRHUQPPQ-INIZCTEOSA-N 1 3 246.398 3.179 20 0 BGADHO Cc1cccc([C@@H]2CCCC[N@@H+]2CCCN)c1C ZINC000414713531 386233704 /nfs/dbraw/zinc/23/37/04/386233704.db2.gz WBGDYEDRHUQPPQ-INIZCTEOSA-N 1 3 246.398 3.179 20 0 BGADHO Cc1cccc([C@H]2CCCCN2CCC[NH3+])c1C ZINC000414713537 386233979 /nfs/dbraw/zinc/23/39/79/386233979.db2.gz WBGDYEDRHUQPPQ-MRXNPFEDSA-N 1 3 246.398 3.179 20 0 BGADHO Cc1cccc([C@H]2CCCC[N@H+]2CCCN)c1C ZINC000414713537 386233978 /nfs/dbraw/zinc/23/39/78/386233978.db2.gz WBGDYEDRHUQPPQ-MRXNPFEDSA-N 1 3 246.398 3.179 20 0 BGADHO Cc1cccc([C@H]2CCCC[N@@H+]2CCCN)c1C ZINC000414713537 386233976 /nfs/dbraw/zinc/23/39/76/386233976.db2.gz WBGDYEDRHUQPPQ-MRXNPFEDSA-N 1 3 246.398 3.179 20 0 BGADHO C[C@@H](c1ccccc1)N(CCC[NH3+])CC1CCC1 ZINC000414715999 386243996 /nfs/dbraw/zinc/24/39/96/386243996.db2.gz WKHMPVWWRFQNDM-AWEZNQCLSA-N 1 3 246.398 3.199 20 0 BGADHO C[C@@H](c1ccccc1)[N@@H+](CCCN)CC1CCC1 ZINC000414715999 386243991 /nfs/dbraw/zinc/24/39/91/386243991.db2.gz WKHMPVWWRFQNDM-AWEZNQCLSA-N 1 3 246.398 3.199 20 0 BGADHO C[C@@H](c1ccccc1)[N@H+](CCCN)CC1CCC1 ZINC000414715999 386243986 /nfs/dbraw/zinc/24/39/86/386243986.db2.gz WKHMPVWWRFQNDM-AWEZNQCLSA-N 1 3 246.398 3.199 20 0 BGADHO C[C@H](c1ccccc1)N(CCC[NH3+])CC1CCC1 ZINC000414716002 386244561 /nfs/dbraw/zinc/24/45/61/386244561.db2.gz WKHMPVWWRFQNDM-CQSZACIVSA-N 1 3 246.398 3.199 20 0 BGADHO C[C@H](c1ccccc1)[N@@H+](CCCN)CC1CCC1 ZINC000414716002 386244557 /nfs/dbraw/zinc/24/45/57/386244557.db2.gz WKHMPVWWRFQNDM-CQSZACIVSA-N 1 3 246.398 3.199 20 0 BGADHO C[C@H](c1ccccc1)[N@H+](CCCN)CC1CCC1 ZINC000414716002 386244552 /nfs/dbraw/zinc/24/45/52/386244552.db2.gz WKHMPVWWRFQNDM-CQSZACIVSA-N 1 3 246.398 3.199 20 0 BGADHO CCCCN(CCC[NH3+])[C@@H](C)c1ccccc1 ZINC000414717080 386240089 /nfs/dbraw/zinc/24/00/89/386240089.db2.gz XNYMOZXPDXWQLE-AWEZNQCLSA-N 1 3 234.387 3.199 20 0 BGADHO CCCC[N@@H+](CCCN)[C@@H](C)c1ccccc1 ZINC000414717080 386240083 /nfs/dbraw/zinc/24/00/83/386240083.db2.gz XNYMOZXPDXWQLE-AWEZNQCLSA-N 1 3 234.387 3.199 20 0 BGADHO CCCC[N@H+](CCCN)[C@@H](C)c1ccccc1 ZINC000414717080 386240075 /nfs/dbraw/zinc/24/00/75/386240075.db2.gz XNYMOZXPDXWQLE-AWEZNQCLSA-N 1 3 234.387 3.199 20 0 BGADHO CCCCN(CCC[NH3+])[C@H](C)c1ccccc1 ZINC000414717081 386241756 /nfs/dbraw/zinc/24/17/56/386241756.db2.gz XNYMOZXPDXWQLE-CQSZACIVSA-N 1 3 234.387 3.199 20 0 BGADHO CCCC[N@@H+](CCCN)[C@H](C)c1ccccc1 ZINC000414717081 386241754 /nfs/dbraw/zinc/24/17/54/386241754.db2.gz XNYMOZXPDXWQLE-CQSZACIVSA-N 1 3 234.387 3.199 20 0 BGADHO CCCC[N@H+](CCCN)[C@H](C)c1ccccc1 ZINC000414717081 386241751 /nfs/dbraw/zinc/24/17/51/386241751.db2.gz XNYMOZXPDXWQLE-CQSZACIVSA-N 1 3 234.387 3.199 20 0 BGADHO Cc1cccc(C(C)(C)[NH2+]C[C@@H](N)CC(C)C)c1 ZINC000414717640 386243760 /nfs/dbraw/zinc/24/37/60/386243760.db2.gz ZSTWXQVKMBFOEC-HNNXBMFYSA-N 1 3 248.414 3.193 20 0 BGADHO Cc1cccc(C(C)(C)[NH2+]C[C@H](N)CC(C)C)c1 ZINC000414717645 386244821 /nfs/dbraw/zinc/24/48/21/386244821.db2.gz ZSTWXQVKMBFOEC-OAHLLOKOSA-N 1 3 248.414 3.193 20 0 BGADHO CC(C)(C)NCC[N@H+]1CCCC12CCCCC2 ZINC000414733005 386292028 /nfs/dbraw/zinc/29/20/28/386292028.db2.gz CBTLZEFBHCODIL-UHFFFAOYSA-N 1 3 238.419 3.173 20 0 BGADHO CC(C)(C)NCC[N@@H+]1CCCC12CCCCC2 ZINC000414733005 386292023 /nfs/dbraw/zinc/29/20/23/386292023.db2.gz CBTLZEFBHCODIL-UHFFFAOYSA-N 1 3 238.419 3.173 20 0 BGADHO C[C@H](CCC1CCCCC1)[NH2+]C1CCNCC1 ZINC000414785322 386509942 /nfs/dbraw/zinc/50/99/42/386509942.db2.gz VBYRIANGWDOZOK-CYBMUJFWSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H](CCC1CCCCC1)[NH2+]C1CCNCC1 ZINC000414785324 191567911 /nfs/dbraw/zinc/56/79/11/191567911.db2.gz VBYRIANGWDOZOK-ZDUSSCGKSA-N 1 3 238.419 3.077 20 0 BGADHO CCC[C@H](CNC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000414791324 386544540 /nfs/dbraw/zinc/54/45/40/386544540.db2.gz HPRQHVWPGFEZEU-CVEARBPZSA-N 1 3 248.414 3.143 20 0 BGADHO CCC[C@@H](CNC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000414791326 386546505 /nfs/dbraw/zinc/54/65/05/386546505.db2.gz HPRQHVWPGFEZEU-HOTGVXAUSA-N 1 3 248.414 3.143 20 0 BGADHO CCC[C@H](CNC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000414791327 386547046 /nfs/dbraw/zinc/54/70/46/386547046.db2.gz HPRQHVWPGFEZEU-HZPDHXFCSA-N 1 3 248.414 3.143 20 0 BGADHO CCC[C@@H](CNC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000414791328 386546772 /nfs/dbraw/zinc/54/67/72/386546772.db2.gz HPRQHVWPGFEZEU-JKSUJKDBSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414794421 386559588 /nfs/dbraw/zinc/55/95/88/386559588.db2.gz FQHUBHOLCCRWNS-AJNGGQMLSA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414794426 386561877 /nfs/dbraw/zinc/56/18/77/386561877.db2.gz FQHUBHOLCCRWNS-LJISPDSOSA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414794427 386560768 /nfs/dbraw/zinc/56/07/68/386560768.db2.gz FQHUBHOLCCRWNS-XGUBFFRZSA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414794429 386560508 /nfs/dbraw/zinc/56/05/08/386560508.db2.gz FQHUBHOLCCRWNS-ZQDZILKHSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)C[C@@H](CNCC(C)(C)[NH3+])c1ccccc1 ZINC000414799865 386594316 /nfs/dbraw/zinc/59/43/16/386594316.db2.gz HKTDUXMOHVKTRX-HNNXBMFYSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)C[C@H](CNCC(C)(C)[NH3+])c1ccccc1 ZINC000414800293 386587478 /nfs/dbraw/zinc/58/74/78/386587478.db2.gz HKTDUXMOHVKTRX-OAHLLOKOSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@@H](CNCC([NH3+])(CC)CC)c1ccccc1 ZINC000414803590 386600367 /nfs/dbraw/zinc/60/03/67/386600367.db2.gz DEOUUKPWFRLVJU-AWEZNQCLSA-N 1 3 248.414 3.287 20 0 BGADHO CC[C@H](CNCC([NH3+])(CC)CC)c1ccccc1 ZINC000414803592 386599420 /nfs/dbraw/zinc/59/94/20/386599420.db2.gz DEOUUKPWFRLVJU-CQSZACIVSA-N 1 3 248.414 3.287 20 0 BGADHO CCCC(CCC)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414803833 386606441 /nfs/dbraw/zinc/60/64/41/386606441.db2.gz OHOIKLVDOQGDMB-GXTWGEPZSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC(CCC)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414803834 386605818 /nfs/dbraw/zinc/60/58/18/386605818.db2.gz OHOIKLVDOQGDMB-JSGCOSHPSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC(CCC)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414803835 386606812 /nfs/dbraw/zinc/60/68/12/386606812.db2.gz OHOIKLVDOQGDMB-OCCSQVGLSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC(CCC)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414803837 386606865 /nfs/dbraw/zinc/60/68/65/386606865.db2.gz OHOIKLVDOQGDMB-TZMCWYRMSA-N 1 3 226.408 3.062 20 0 BGADHO CC[C@@H](Cc1ccccc1)NCC([NH3+])(CC)CC ZINC000414804932 386609041 /nfs/dbraw/zinc/60/90/41/386609041.db2.gz FPBWJEUQUVVHMX-HNNXBMFYSA-N 1 3 248.414 3.115 20 0 BGADHO CC[C@H](Cc1ccccc1)NCC([NH3+])(CC)CC ZINC000414804933 386608204 /nfs/dbraw/zinc/60/82/04/386608204.db2.gz FPBWJEUQUVVHMX-OAHLLOKOSA-N 1 3 248.414 3.115 20 0 BGADHO C[C@@H]([NH3+])c1ccc(CNCc2cccs2)cc1 ZINC000414804957 386609341 /nfs/dbraw/zinc/60/93/41/386609341.db2.gz FTMMYGFETREJHZ-LLVKDONJSA-N 1 3 246.379 3.058 20 0 BGADHO C[C@H]([NH3+])c1ccc(CNCc2cccs2)cc1 ZINC000414804958 386609225 /nfs/dbraw/zinc/60/92/25/386609225.db2.gz FTMMYGFETREJHZ-NSHDSACASA-N 1 3 246.379 3.058 20 0 BGADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccccc1C ZINC000414805010 386609883 /nfs/dbraw/zinc/60/98/83/386609883.db2.gz GCVJSWYYIXAQEQ-AWEZNQCLSA-N 1 3 248.414 3.033 20 0 BGADHO CCC([NH3+])(CC)CN[C@H](C)Cc1ccccc1C ZINC000414805011 386608181 /nfs/dbraw/zinc/60/81/81/386608181.db2.gz GCVJSWYYIXAQEQ-CQSZACIVSA-N 1 3 248.414 3.033 20 0 BGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1ccccc1 ZINC000414806032 386606503 /nfs/dbraw/zinc/60/65/03/386606503.db2.gz GWZRFSVRBHYATL-AWEZNQCLSA-N 1 3 248.414 3.115 20 0 BGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1ccccc1 ZINC000414806035 386606178 /nfs/dbraw/zinc/60/61/78/386606178.db2.gz GWZRFSVRBHYATL-CQSZACIVSA-N 1 3 248.414 3.115 20 0 BGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000414806373 386607057 /nfs/dbraw/zinc/60/70/57/386607057.db2.gz QAWLTLXKRAACPH-CABCVRRESA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000414806375 386606592 /nfs/dbraw/zinc/60/65/92/386606592.db2.gz QAWLTLXKRAACPH-GJZGRUSLSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000414806376 191573808 /nfs/dbraw/zinc/57/38/08/191573808.db2.gz QAWLTLXKRAACPH-HUUCEWRRSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000414806378 386605310 /nfs/dbraw/zinc/60/53/10/386605310.db2.gz QAWLTLXKRAACPH-LSDHHAIUSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(C)CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000414807508 386617511 /nfs/dbraw/zinc/61/75/11/386617511.db2.gz RDEFZSXWVIXODF-FEWQNLEASA-N 1 3 238.419 3.062 20 0 BGADHO CCC1(C)CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000414807510 386618760 /nfs/dbraw/zinc/61/87/60/386618760.db2.gz RDEFZSXWVIXODF-FGZQJIAISA-N 1 3 238.419 3.062 20 0 BGADHO CCC1(C)CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000414807512 386617753 /nfs/dbraw/zinc/61/77/53/386617753.db2.gz RDEFZSXWVIXODF-JLVJUDLZSA-N 1 3 238.419 3.062 20 0 BGADHO CCC1(C)CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000414807515 386618363 /nfs/dbraw/zinc/61/83/63/386618363.db2.gz RDEFZSXWVIXODF-LQULJDIASA-N 1 3 238.419 3.062 20 0 BGADHO CCC([NH3+])(CC)CNCC[C@H](C)c1ccccc1 ZINC000414807643 386611585 /nfs/dbraw/zinc/61/15/85/386611585.db2.gz IYYDEFMKEQJJHP-AWEZNQCLSA-N 1 3 248.414 3.287 20 0 BGADHO CCC([NH3+])(CC)CNCC[C@@H](C)c1ccccc1 ZINC000414807644 386612334 /nfs/dbraw/zinc/61/23/34/386612334.db2.gz IYYDEFMKEQJJHP-CQSZACIVSA-N 1 3 248.414 3.287 20 0 BGADHO CCC([NH3+])(CC)CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000414807661 386611843 /nfs/dbraw/zinc/61/18/43/386611843.db2.gz JAGDJXIGJGUSBI-KBPBESRZSA-N 1 3 248.414 3.286 20 0 BGADHO CCC([NH3+])(CC)CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000414807662 386612195 /nfs/dbraw/zinc/61/21/95/386612195.db2.gz JAGDJXIGJGUSBI-KGLIPLIRSA-N 1 3 248.414 3.286 20 0 BGADHO CCC([NH3+])(CC)CN[C@H](C)[C@H](C)c1ccccc1 ZINC000414807663 386611295 /nfs/dbraw/zinc/61/12/95/386611295.db2.gz JAGDJXIGJGUSBI-UONOGXRCSA-N 1 3 248.414 3.286 20 0 BGADHO CCC([NH3+])(CC)CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000414807664 386612856 /nfs/dbraw/zinc/61/28/56/386612856.db2.gz JAGDJXIGJGUSBI-ZIAGYGMSSA-N 1 3 248.414 3.286 20 0 BGADHO C[C@H](CC(C)(C)c1ccccc1)NCC(C)(C)[NH3+] ZINC000414810497 386631324 /nfs/dbraw/zinc/63/13/24/386631324.db2.gz XDAMOHKVPJQZQW-CYBMUJFWSA-N 1 3 248.414 3.070 20 0 BGADHO C[C@@H](CC(C)(C)c1ccccc1)NCC(C)(C)[NH3+] ZINC000414810498 386630868 /nfs/dbraw/zinc/63/08/68/386630868.db2.gz XDAMOHKVPJQZQW-ZDUSSCGKSA-N 1 3 248.414 3.070 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414811903 386628908 /nfs/dbraw/zinc/62/89/08/386628908.db2.gz WWXRVVWGAJORNJ-HZSPNIEDSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414811904 386628025 /nfs/dbraw/zinc/62/80/25/386628025.db2.gz WWXRVVWGAJORNJ-IHRRRGAJSA-N 1 3 226.408 3.062 20 0 BGADHO CCC(N)(CC)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414812130 386638814 /nfs/dbraw/zinc/63/88/14/386638814.db2.gz QXBAHYJAXQODFQ-UHFFFAOYSA-N 1 3 246.398 3.171 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414812143 386630297 /nfs/dbraw/zinc/63/02/97/386630297.db2.gz WWXRVVWGAJORNJ-MELADBBJSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414812144 386630661 /nfs/dbraw/zinc/63/06/61/386630661.db2.gz WWXRVVWGAJORNJ-RDBSUJKOSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414813030 386643402 /nfs/dbraw/zinc/64/34/02/386643402.db2.gz YCGTWXLRMJCAME-BPLDGKMQSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H](CC1CCCC1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414813031 386642040 /nfs/dbraw/zinc/64/20/40/386642040.db2.gz YCGTWXLRMJCAME-SNPRPXQTSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414813033 386644053 /nfs/dbraw/zinc/64/40/53/386644053.db2.gz YCGTWXLRMJCAME-VHDGCEQUSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H](CC1CCCC1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414813035 386642530 /nfs/dbraw/zinc/64/25/30/386642530.db2.gz YCGTWXLRMJCAME-YUELXQCFSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@@H]([NH3+])c1ccc(CNCc2ccsc2)cc1 ZINC000414816275 386653141 /nfs/dbraw/zinc/65/31/41/386653141.db2.gz ZTYIIWFWINETLW-LLVKDONJSA-N 1 3 246.379 3.058 20 0 BGADHO C[C@H]([NH3+])c1ccc(CNCc2ccsc2)cc1 ZINC000414816276 386652912 /nfs/dbraw/zinc/65/29/12/386652912.db2.gz ZTYIIWFWINETLW-NSHDSACASA-N 1 3 246.379 3.058 20 0 BGADHO CCC[C@H](CCc1ccccc1)[NH2+]CC[C@H](C)N ZINC000414818664 386659184 /nfs/dbraw/zinc/65/91/84/386659184.db2.gz FQNYMXJSPAHODZ-GOEBONIOSA-N 1 3 248.414 3.115 20 0 BGADHO CCC[C@@H](CCc1ccccc1)[NH2+]CC[C@H](C)N ZINC000414818665 386658923 /nfs/dbraw/zinc/65/89/23/386658923.db2.gz FQNYMXJSPAHODZ-HOCLYGCPSA-N 1 3 248.414 3.115 20 0 BGADHO CCCC[C@H](CN)[NH2+]Cc1ccc(Cl)s1 ZINC000414818822 386667399 /nfs/dbraw/zinc/66/73/99/386667399.db2.gz WRUKYEYYLNLOMF-SECBINFHSA-N 1 3 246.807 3.009 20 0 BGADHO CCCC[C@@H](CN)[NH2+]Cc1ccc(Cl)s1 ZINC000414818823 386667652 /nfs/dbraw/zinc/66/76/52/386667652.db2.gz WRUKYEYYLNLOMF-VIFPVBQESA-N 1 3 246.807 3.009 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000414818959 386668895 /nfs/dbraw/zinc/66/88/95/386668895.db2.gz GIIJTPWDHYCDDA-KBPBESRZSA-N 1 3 248.414 3.070 20 0 BGADHO C[C@H](N)CC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000414818959 386668890 /nfs/dbraw/zinc/66/88/90/386668890.db2.gz GIIJTPWDHYCDDA-KBPBESRZSA-N 1 3 248.414 3.070 20 0 BGADHO C[C@H](CC(C)(C)c1ccccc1)NCC[C@H](C)[NH3+] ZINC000414818964 386668723 /nfs/dbraw/zinc/66/87/23/386668723.db2.gz GIIJTPWDHYCDDA-UONOGXRCSA-N 1 3 248.414 3.070 20 0 BGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[C@H](C)N ZINC000414818964 386668720 /nfs/dbraw/zinc/66/87/20/386668720.db2.gz GIIJTPWDHYCDDA-UONOGXRCSA-N 1 3 248.414 3.070 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414819038 411447435 /nfs/dbraw/zinc/44/74/35/411447435.db2.gz GLIMHXMFIJKRIQ-KKUMJFAQSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414819040 411446524 /nfs/dbraw/zinc/44/65/24/411446524.db2.gz GLIMHXMFIJKRIQ-RRFJBIMHSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414819041 411446412 /nfs/dbraw/zinc/44/64/12/411446412.db2.gz GLIMHXMFIJKRIQ-SOUVJXGZSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414819042 411446852 /nfs/dbraw/zinc/44/68/52/411446852.db2.gz GLIMHXMFIJKRIQ-ZNMIVQPWSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000414821863 386679139 /nfs/dbraw/zinc/67/91/39/386679139.db2.gz MFJFITHAOQLDQI-BFHYXJOUSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000414821866 386678679 /nfs/dbraw/zinc/67/86/79/386678679.db2.gz MFJFITHAOQLDQI-IHRRRGAJSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000414821868 386676410 /nfs/dbraw/zinc/67/64/10/386676410.db2.gz MFJFITHAOQLDQI-MELADBBJSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000414821870 386677449 /nfs/dbraw/zinc/67/74/49/386677449.db2.gz MFJFITHAOQLDQI-MJBXVCDLSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](N)CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414823630 386676431 /nfs/dbraw/zinc/67/64/31/386676431.db2.gz OVZXREIHMRNNIU-JEYLPNPQSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H](CCC1CCCCC1)[NH2+]CC[C@H](C)N ZINC000414825948 398049697 /nfs/dbraw/zinc/04/96/97/398049697.db2.gz USSAWEXTDLNESD-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](N)CC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000414825951 398049580 /nfs/dbraw/zinc/04/95/80/398049580.db2.gz USSAWEXTDLNESD-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO CCC(C)(C)C1CCC([NH2+]CC[C@H](C)N)CC1 ZINC000414827564 386694859 /nfs/dbraw/zinc/69/48/59/386694859.db2.gz XWYMQZOLDHDDEW-HSBZDZAISA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)CCC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414831848 386718530 /nfs/dbraw/zinc/71/85/30/386718530.db2.gz QAYAGHDSRVUXKV-JKXDFHQYSA-N 1 3 238.419 3.074 20 0 BGADHO CC(C)CCC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414831849 386716197 /nfs/dbraw/zinc/71/61/97/386716197.db2.gz QAYAGHDSRVUXKV-RDGKXADDSA-N 1 3 238.419 3.074 20 0 BGADHO Cc1ccc(C[NH2+]CC2(N)CCCCC2)cc1C ZINC000414835091 386726295 /nfs/dbraw/zinc/72/62/95/386726295.db2.gz CXZSATOEZZBJDT-UHFFFAOYSA-N 1 3 246.398 3.055 20 0 BGADHO CCC[C@H](CNC[C@H](C)C[NH2+]C)c1ccccc1 ZINC000414835285 386726457 /nfs/dbraw/zinc/72/64/57/386726457.db2.gz IHORRQXEQOCVQU-GDBMZVCRSA-N 1 3 248.414 3.015 20 0 BGADHO CCC[C@H](C[NH2+]C[C@H](C)CNC)c1ccccc1 ZINC000414835285 386726456 /nfs/dbraw/zinc/72/64/56/386726456.db2.gz IHORRQXEQOCVQU-GDBMZVCRSA-N 1 3 248.414 3.015 20 0 BGADHO CCC[C@H](CNC[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000414835287 386727658 /nfs/dbraw/zinc/72/76/58/386727658.db2.gz IHORRQXEQOCVQU-GOEBONIOSA-N 1 3 248.414 3.015 20 0 BGADHO CCC[C@H](C[NH2+]C[C@@H](C)CNC)c1ccccc1 ZINC000414835287 386727651 /nfs/dbraw/zinc/72/76/51/386727651.db2.gz IHORRQXEQOCVQU-GOEBONIOSA-N 1 3 248.414 3.015 20 0 BGADHO CCC[C@@H](CNC[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000414835288 386727838 /nfs/dbraw/zinc/72/78/38/386727838.db2.gz IHORRQXEQOCVQU-HOCLYGCPSA-N 1 3 248.414 3.015 20 0 BGADHO CCC[C@@H](C[NH2+]C[C@@H](C)CNC)c1ccccc1 ZINC000414835288 386727831 /nfs/dbraw/zinc/72/78/31/386727831.db2.gz IHORRQXEQOCVQU-HOCLYGCPSA-N 1 3 248.414 3.015 20 0 BGADHO CCC[C@@H](CNC[C@H](C)C[NH2+]C)c1ccccc1 ZINC000414835289 386729180 /nfs/dbraw/zinc/72/91/80/386729180.db2.gz IHORRQXEQOCVQU-ZBFHGGJFSA-N 1 3 248.414 3.015 20 0 BGADHO CCC[C@@H](C[NH2+]C[C@H](C)CNC)c1ccccc1 ZINC000414835289 386729175 /nfs/dbraw/zinc/72/91/75/386729175.db2.gz IHORRQXEQOCVQU-ZBFHGGJFSA-N 1 3 248.414 3.015 20 0 BGADHO Cc1cccc(C[NH2+]CC2(N)CCCCC2)c1C ZINC000414843959 386766421 /nfs/dbraw/zinc/76/64/21/386766421.db2.gz OZMQPVQXDVINHE-UHFFFAOYSA-N 1 3 246.398 3.055 20 0 BGADHO Cc1ccc(C)c(C[NH2+]CC2(N)CCCCC2)c1 ZINC000414844042 386768766 /nfs/dbraw/zinc/76/87/66/386768766.db2.gz PAKVQPZQYPJETK-UHFFFAOYSA-N 1 3 246.398 3.055 20 0 BGADHO Cc1cccc(C)c1C[NH2+]CC1(N)CCCCC1 ZINC000414847484 351856848 /nfs/dbraw/zinc/85/68/48/351856848.db2.gz VANNDKMQGDZSQG-UHFFFAOYSA-N 1 3 246.398 3.055 20 0 BGADHO Cc1ccc(C[NH2+]CC2(N)CCCCC2)c(C)c1 ZINC000414848463 385609983 /nfs/dbraw/zinc/60/99/83/385609983.db2.gz WDWDSKCRTMGHKC-UHFFFAOYSA-N 1 3 246.398 3.055 20 0 BGADHO C[C@@H](CNCC1([NH3+])CCCCC1)c1ccccc1 ZINC000414848607 385613699 /nfs/dbraw/zinc/61/36/99/385613699.db2.gz WMWNWQIMDSTTEF-AWEZNQCLSA-N 1 3 246.398 3.041 20 0 BGADHO C[C@H](CNCC1([NH3+])CCCCC1)c1ccccc1 ZINC000414848609 385611904 /nfs/dbraw/zinc/61/19/04/385611904.db2.gz WMWNWQIMDSTTEF-CQSZACIVSA-N 1 3 246.398 3.041 20 0 BGADHO CNC[C@H](C)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414850152 385635880 /nfs/dbraw/zinc/63/58/80/385635880.db2.gz YVYLWKCFBIMGRU-HSBZDZAISA-N 1 3 240.435 3.036 20 0 BGADHO CNC[C@@H](C)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414850154 191599663 /nfs/dbraw/zinc/59/96/63/191599663.db2.gz YVYLWKCFBIMGRU-IYXRBSQSSA-N 1 3 240.435 3.036 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414859401 191603692 /nfs/dbraw/zinc/60/36/92/191603692.db2.gz UEUVORQFOVVEKG-AJNGGQMLSA-N 1 3 240.435 3.179 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414859405 385741865 /nfs/dbraw/zinc/74/18/65/385741865.db2.gz UEUVORQFOVVEKG-XGUBFFRZSA-N 1 3 240.435 3.179 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414859407 385740539 /nfs/dbraw/zinc/74/05/39/385740539.db2.gz UEUVORQFOVVEKG-XQLPTFJDSA-N 1 3 240.435 3.179 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414859411 385741001 /nfs/dbraw/zinc/74/10/01/385741001.db2.gz UEUVORQFOVVEKG-YJNKXOJESA-N 1 3 240.435 3.179 20 0 BGADHO CNCCC[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000414859701 385743459 /nfs/dbraw/zinc/74/34/59/385743459.db2.gz MZAYNQODXNPKNY-INIZCTEOSA-N 1 3 248.414 3.015 20 0 BGADHO C[NH2+]CCCNC[C@H](CC(C)C)c1ccccc1 ZINC000414859701 385743456 /nfs/dbraw/zinc/74/34/56/385743456.db2.gz MZAYNQODXNPKNY-INIZCTEOSA-N 1 3 248.414 3.015 20 0 BGADHO CNCCC[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000414859702 385743514 /nfs/dbraw/zinc/74/35/14/385743514.db2.gz MZAYNQODXNPKNY-MRXNPFEDSA-N 1 3 248.414 3.015 20 0 BGADHO C[NH2+]CCCNC[C@@H](CC(C)C)c1ccccc1 ZINC000414859702 385743511 /nfs/dbraw/zinc/74/35/11/385743511.db2.gz MZAYNQODXNPKNY-MRXNPFEDSA-N 1 3 248.414 3.015 20 0 BGADHO CCCC[C@@H](CC)CC[NH2+]C[C@H]1CCCNC1 ZINC000414861403 487826795 /nfs/dbraw/zinc/82/67/95/487826795.db2.gz WOYNMJPCIGSAEH-CABCVRRESA-N 1 3 240.435 3.182 20 0 BGADHO CCCC[C@H](CC)CC[NH2+]C[C@H]1CCCNC1 ZINC000414861404 487827194 /nfs/dbraw/zinc/82/71/94/487827194.db2.gz WOYNMJPCIGSAEH-GJZGRUSLSA-N 1 3 240.435 3.182 20 0 BGADHO CCCC[C@@H](CC)CC[NH2+]C[C@@H]1CCCNC1 ZINC000414861406 487827328 /nfs/dbraw/zinc/82/73/28/487827328.db2.gz WOYNMJPCIGSAEH-HUUCEWRRSA-N 1 3 240.435 3.182 20 0 BGADHO CCCC[C@H](CC)CC[NH2+]C[C@@H]1CCCNC1 ZINC000414861408 487826779 /nfs/dbraw/zinc/82/67/79/487826779.db2.gz WOYNMJPCIGSAEH-LSDHHAIUSA-N 1 3 240.435 3.182 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000414862328 385750296 /nfs/dbraw/zinc/75/02/96/385750296.db2.gz XHLIJIUCLXNXBB-KKUMJFAQSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000414862329 385750740 /nfs/dbraw/zinc/75/07/40/385750740.db2.gz XHLIJIUCLXNXBB-RRFJBIMHSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000414862330 385749343 /nfs/dbraw/zinc/74/93/43/385749343.db2.gz XHLIJIUCLXNXBB-SOUVJXGZSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000414862331 385750816 /nfs/dbraw/zinc/75/08/16/385750816.db2.gz XHLIJIUCLXNXBB-ZNMIVQPWSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000414871570 385854058 /nfs/dbraw/zinc/85/40/58/385854058.db2.gz DFZYLKGRMDWGIL-HZSPNIEDSA-N 1 3 240.435 3.166 20 0 BGADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000414871571 385854417 /nfs/dbraw/zinc/85/44/17/385854417.db2.gz DFZYLKGRMDWGIL-MCIONIFRSA-N 1 3 240.435 3.166 20 0 BGADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000414871572 385853300 /nfs/dbraw/zinc/85/33/00/385853300.db2.gz DFZYLKGRMDWGIL-MGPQQGTHSA-N 1 3 240.435 3.166 20 0 BGADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000414871573 385854152 /nfs/dbraw/zinc/85/41/52/385854152.db2.gz DFZYLKGRMDWGIL-RDBSUJKOSA-N 1 3 240.435 3.166 20 0 BGADHO C[C@@H](CN)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000414875284 385891378 /nfs/dbraw/zinc/89/13/78/385891378.db2.gz JSUNPHVNGQPUMW-HSBZDZAISA-N 1 3 240.435 3.023 20 0 BGADHO C[C@H](CN)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000414875285 385891033 /nfs/dbraw/zinc/89/10/33/385891033.db2.gz JSUNPHVNGQPUMW-IYXRBSQSSA-N 1 3 240.435 3.023 20 0 BGADHO CCC[C@@H](CNCC1([NH3+])CCC1)c1ccccc1 ZINC000414882289 386011144 /nfs/dbraw/zinc/01/11/44/386011144.db2.gz TXULVHMGYXEECJ-HNNXBMFYSA-N 1 3 246.398 3.041 20 0 BGADHO CCC[C@H](CNCC1([NH3+])CCC1)c1ccccc1 ZINC000414882290 386011902 /nfs/dbraw/zinc/01/19/02/386011902.db2.gz TXULVHMGYXEECJ-OAHLLOKOSA-N 1 3 246.398 3.041 20 0 BGADHO CC(C)C[C@H](C[NH2+]C[C@H](C)CN)c1ccccc1 ZINC000414884863 411459048 /nfs/dbraw/zinc/45/90/48/411459048.db2.gz WLRZOCZEXZJWTF-GDBMZVCRSA-N 1 3 248.414 3.001 20 0 BGADHO CC(C)C[C@H](C[NH2+]C[C@@H](C)CN)c1ccccc1 ZINC000414884864 411459181 /nfs/dbraw/zinc/45/91/81/411459181.db2.gz WLRZOCZEXZJWTF-GOEBONIOSA-N 1 3 248.414 3.001 20 0 BGADHO CC(C)C[C@@H](C[NH2+]C[C@@H](C)CN)c1ccccc1 ZINC000414884866 386052553 /nfs/dbraw/zinc/05/25/53/386052553.db2.gz WLRZOCZEXZJWTF-HOCLYGCPSA-N 1 3 248.414 3.001 20 0 BGADHO CC(C)C[C@@H](C[NH2+]C[C@H](C)CN)c1ccccc1 ZINC000414884868 386053492 /nfs/dbraw/zinc/05/34/92/386053492.db2.gz WLRZOCZEXZJWTF-ZBFHGGJFSA-N 1 3 248.414 3.001 20 0 BGADHO CC(C)C[C@H](C[NH2+][C@H](C)CCN)c1ccccc1 ZINC000414886193 386072272 /nfs/dbraw/zinc/07/22/72/386072272.db2.gz CNRBRUPAXWOEMY-GDBMZVCRSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)C[C@H](C[NH2+][C@@H](C)CCN)c1ccccc1 ZINC000414886194 386071989 /nfs/dbraw/zinc/07/19/89/386071989.db2.gz CNRBRUPAXWOEMY-GOEBONIOSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)C[C@@H](C[NH2+][C@@H](C)CCN)c1ccccc1 ZINC000414886457 386069501 /nfs/dbraw/zinc/06/95/01/386069501.db2.gz CNRBRUPAXWOEMY-HOCLYGCPSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)C[C@@H](C[NH2+][C@H](C)CCN)c1ccccc1 ZINC000414886460 386070052 /nfs/dbraw/zinc/07/00/52/386070052.db2.gz CNRBRUPAXWOEMY-ZBFHGGJFSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414898799 191620478 /nfs/dbraw/zinc/62/04/78/191620478.db2.gz BZBVSDYYTPGHKS-KKUMJFAQSA-N 1 3 240.435 3.181 20 0 BGADHO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(C)CCCNC1 ZINC000414898801 386235677 /nfs/dbraw/zinc/23/56/77/386235677.db2.gz BZBVSDYYTPGHKS-RRFJBIMHSA-N 1 3 240.435 3.181 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(C)CCCNC1 ZINC000414898803 386234603 /nfs/dbraw/zinc/23/46/03/386234603.db2.gz BZBVSDYYTPGHKS-SOUVJXGZSA-N 1 3 240.435 3.181 20 0 BGADHO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414898805 386234429 /nfs/dbraw/zinc/23/44/29/386234429.db2.gz BZBVSDYYTPGHKS-ZNMIVQPWSA-N 1 3 240.435 3.181 20 0 BGADHO C(CNCC[C@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000414901723 386309370 /nfs/dbraw/zinc/30/93/70/386309370.db2.gz GSEZGQWALDMYQL-OAHLLOKOSA-N 1 3 238.419 3.079 20 0 BGADHO CC(C)CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414903587 386341682 /nfs/dbraw/zinc/34/16/82/386341682.db2.gz IPRCNXBXBFEVFM-CABCVRRESA-N 1 3 240.435 3.181 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414903588 386341529 /nfs/dbraw/zinc/34/15/29/386341529.db2.gz IPRCNXBXBFEVFM-GJZGRUSLSA-N 1 3 240.435 3.181 20 0 BGADHO CC(C)CCC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414903589 386341322 /nfs/dbraw/zinc/34/13/22/386341322.db2.gz IPRCNXBXBFEVFM-HUUCEWRRSA-N 1 3 240.435 3.181 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414903590 386342362 /nfs/dbraw/zinc/34/23/62/386342362.db2.gz IPRCNXBXBFEVFM-LSDHHAIUSA-N 1 3 240.435 3.181 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414906989 487827805 /nfs/dbraw/zinc/82/78/05/487827805.db2.gz ADTDAPIRTKDTAJ-AJNGGQMLSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414906992 487828155 /nfs/dbraw/zinc/82/81/55/487828155.db2.gz ADTDAPIRTKDTAJ-BYNSBNAKSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414906993 487828060 /nfs/dbraw/zinc/82/80/60/487828060.db2.gz ADTDAPIRTKDTAJ-XQLPTFJDSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414906995 487827794 /nfs/dbraw/zinc/82/77/94/487827794.db2.gz ADTDAPIRTKDTAJ-ZQDZILKHSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@@H](CCC1CCCC1)NCC[C@H]1CCC[NH2+]1 ZINC000414907007 490307672 /nfs/dbraw/zinc/30/76/72/490307672.db2.gz QHICHNQVSDLZOT-DZGCQCFKSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H](CCC1CCCC1)NCC[C@H]1CCC[NH2+]1 ZINC000414907010 490307858 /nfs/dbraw/zinc/30/78/58/490307858.db2.gz QHICHNQVSDLZOT-UKRRQHHQSA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000414907187 386386903 /nfs/dbraw/zinc/38/69/03/386386903.db2.gz BUSNDQDHPHDGEJ-ILXRZTDVSA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000414907188 386386479 /nfs/dbraw/zinc/38/64/79/386386479.db2.gz BUSNDQDHPHDGEJ-KFWWJZLASA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000414907189 386388405 /nfs/dbraw/zinc/38/84/05/386388405.db2.gz BUSNDQDHPHDGEJ-QLFBSQMISA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000414907190 386388423 /nfs/dbraw/zinc/38/84/23/386388423.db2.gz BUSNDQDHPHDGEJ-RBSFLKMASA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000414909777 386416223 /nfs/dbraw/zinc/41/62/23/386416223.db2.gz CKPYEYUBHITVKQ-BMFZPTHFSA-N 1 3 246.398 3.040 20 0 BGADHO CC[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000414909779 386415169 /nfs/dbraw/zinc/41/51/69/386415169.db2.gz CKPYEYUBHITVKQ-FVQBIDKESA-N 1 3 246.398 3.040 20 0 BGADHO CC[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000414909781 386416098 /nfs/dbraw/zinc/41/60/98/386416098.db2.gz CKPYEYUBHITVKQ-KBMXLJTQSA-N 1 3 246.398 3.040 20 0 BGADHO CC[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000414909782 386417034 /nfs/dbraw/zinc/41/70/34/386417034.db2.gz CKPYEYUBHITVKQ-VNQPRFMTSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H](C)c1ccccc1 ZINC000414910427 386434821 /nfs/dbraw/zinc/43/48/21/386434821.db2.gz CULASFRKAAEURN-BFJAYTPKSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414910429 386436830 /nfs/dbraw/zinc/43/68/30/386436830.db2.gz CULASFRKAAEURN-DARAHFNDSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H](C)c1ccccc1 ZINC000414910430 386435327 /nfs/dbraw/zinc/43/53/27/386435327.db2.gz CULASFRKAAEURN-OCVGTWLNSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414910432 386435054 /nfs/dbraw/zinc/43/50/54/386435054.db2.gz CULASFRKAAEURN-WMHQRMGPSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414910458 386438268 /nfs/dbraw/zinc/43/82/68/386438268.db2.gz CWGFBQLQCSPASR-BPLDGKMQSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414910460 386440237 /nfs/dbraw/zinc/44/02/37/386440237.db2.gz CWGFBQLQCSPASR-SNPRPXQTSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414910461 386440027 /nfs/dbraw/zinc/44/00/27/386440027.db2.gz CWGFBQLQCSPASR-VHDGCEQUSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414910463 386440265 /nfs/dbraw/zinc/44/02/65/386440265.db2.gz CWGFBQLQCSPASR-YUELXQCFSA-N 1 3 238.419 3.205 20 0 BGADHO N[C@@H]1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000414914266 487828029 /nfs/dbraw/zinc/82/80/29/487828029.db2.gz KHOFDVBMJWFDJC-CABCVRRESA-N 1 3 238.419 3.206 20 0 BGADHO N[C@H]1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000414914268 487827979 /nfs/dbraw/zinc/82/79/79/487827979.db2.gz KHOFDVBMJWFDJC-GJZGRUSLSA-N 1 3 238.419 3.206 20 0 BGADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000414914269 487827547 /nfs/dbraw/zinc/82/75/47/487827547.db2.gz KHOFDVBMJWFDJC-HUUCEWRRSA-N 1 3 238.419 3.206 20 0 BGADHO N[C@H]1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000414914270 487827678 /nfs/dbraw/zinc/82/76/78/487827678.db2.gz KHOFDVBMJWFDJC-LSDHHAIUSA-N 1 3 238.419 3.206 20 0 BGADHO C(C[NH2+][C@H]1CCCNCC1)CC1CCCCC1 ZINC000414918346 352273981 /nfs/dbraw/zinc/27/39/81/352273981.db2.gz SCYKULJBTVQBRC-HNNXBMFYSA-N 1 3 238.419 3.079 20 0 BGADHO C(C[NH2+][C@@H]1CCCNCC1)CC1CCCCC1 ZINC000414918347 352273585 /nfs/dbraw/zinc/27/35/85/352273585.db2.gz SCYKULJBTVQBRC-OAHLLOKOSA-N 1 3 238.419 3.079 20 0 BGADHO N[C@@H]1CCC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000414918573 352274015 /nfs/dbraw/zinc/27/40/15/352274015.db2.gz SIHOCAXKABZNCM-CABCVRRESA-N 1 3 238.419 3.206 20 0 BGADHO N[C@H]1CCC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000414918574 352273796 /nfs/dbraw/zinc/27/37/96/352273796.db2.gz SIHOCAXKABZNCM-GJZGRUSLSA-N 1 3 238.419 3.206 20 0 BGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000414918575 352273680 /nfs/dbraw/zinc/27/36/80/352273680.db2.gz SIHOCAXKABZNCM-HUUCEWRRSA-N 1 3 238.419 3.206 20 0 BGADHO N[C@H]1CCC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000414918576 352273572 /nfs/dbraw/zinc/27/35/72/352273572.db2.gz SIHOCAXKABZNCM-LSDHHAIUSA-N 1 3 238.419 3.206 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414922051 386589980 /nfs/dbraw/zinc/58/99/80/386589980.db2.gz GFHKPOLYRHROGZ-BARDWOONSA-N 1 3 238.419 3.205 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414922053 386590443 /nfs/dbraw/zinc/59/04/43/386590443.db2.gz GFHKPOLYRHROGZ-KBXIAJHMSA-N 1 3 238.419 3.205 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414922054 386591403 /nfs/dbraw/zinc/59/14/03/386591403.db2.gz GFHKPOLYRHROGZ-QPSCCSFWSA-N 1 3 238.419 3.205 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414922056 386589767 /nfs/dbraw/zinc/58/97/67/386589767.db2.gz GFHKPOLYRHROGZ-TUVASFSCSA-N 1 3 238.419 3.205 20 0 BGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000414925456 487828885 /nfs/dbraw/zinc/82/88/85/487828885.db2.gz LVDDJTAQFRPQHM-BARDWOONSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000414925459 487828710 /nfs/dbraw/zinc/82/87/10/487828710.db2.gz LVDDJTAQFRPQHM-CBBWQLFWSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000414925461 487828896 /nfs/dbraw/zinc/82/88/96/487828896.db2.gz LVDDJTAQFRPQHM-LXTVHRRPSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000414925466 487828848 /nfs/dbraw/zinc/82/88/48/487828848.db2.gz LVDDJTAQFRPQHM-QPSCCSFWSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000414926584 386665433 /nfs/dbraw/zinc/66/54/33/386665433.db2.gz NODUZCGLLVDJJY-HXSCFSKGSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)C1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000414926586 386664361 /nfs/dbraw/zinc/66/43/61/386664361.db2.gz NODUZCGLLVDJJY-JYVUQVBGSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)C1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000414926588 386664324 /nfs/dbraw/zinc/66/43/24/386664324.db2.gz NODUZCGLLVDJJY-OOJKYFRXSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)C1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000414926589 386665857 /nfs/dbraw/zinc/66/58/57/386665857.db2.gz NODUZCGLLVDJJY-SHWKFHJASA-N 1 3 238.419 3.061 20 0 BGADHO CCCC1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC000414928408 386715267 /nfs/dbraw/zinc/71/52/67/386715267.db2.gz BCASCYBDIKMSQX-PPWQZUPISA-N 1 3 238.419 3.075 20 0 BGADHO CCCC1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC000414928409 386713944 /nfs/dbraw/zinc/71/39/44/386713944.db2.gz BCASCYBDIKMSQX-URGYJCLVSA-N 1 3 238.419 3.075 20 0 BGADHO CCC1(C)CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000414931211 386762414 /nfs/dbraw/zinc/76/24/14/386762414.db2.gz UHGKJMAKSPAFKL-FEWQNLEASA-N 1 3 238.419 3.205 20 0 BGADHO CCC1(C)CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000414931212 386761894 /nfs/dbraw/zinc/76/18/94/386761894.db2.gz UHGKJMAKSPAFKL-FGZQJIAISA-N 1 3 238.419 3.205 20 0 BGADHO CCC1(C)CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000414931214 386760592 /nfs/dbraw/zinc/76/05/92/386760592.db2.gz UHGKJMAKSPAFKL-JLVJUDLZSA-N 1 3 238.419 3.205 20 0 BGADHO CCC1(C)CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000414931217 386760855 /nfs/dbraw/zinc/76/08/55/386760855.db2.gz UHGKJMAKSPAFKL-LQULJDIASA-N 1 3 238.419 3.205 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H]1CCNC[C@H]1C ZINC000414932266 487830139 /nfs/dbraw/zinc/83/01/39/487830139.db2.gz CQVHQWCDONXFFH-ILXRZTDVSA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H]1CCNC[C@@H]1C ZINC000414932268 487829979 /nfs/dbraw/zinc/82/99/79/487829979.db2.gz CQVHQWCDONXFFH-KKUMJFAQSA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H]1CCNC[C@H]1C ZINC000414932269 487830093 /nfs/dbraw/zinc/83/00/93/487830093.db2.gz CQVHQWCDONXFFH-QLFBSQMISA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414932271 487830561 /nfs/dbraw/zinc/83/05/61/487830561.db2.gz CQVHQWCDONXFFH-SOUVJXGZSA-N 1 3 240.435 3.181 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414933016 487830464 /nfs/dbraw/zinc/83/04/64/487830464.db2.gz WJOGZFVTSOALLT-CRWXNKLISA-N 1 3 226.408 3.061 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414933018 487830674 /nfs/dbraw/zinc/83/06/74/487830674.db2.gz WJOGZFVTSOALLT-RFQIPJPRSA-N 1 3 226.408 3.061 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414933022 487830661 /nfs/dbraw/zinc/83/06/61/487830661.db2.gz WJOGZFVTSOALLT-XDQVBPFNSA-N 1 3 226.408 3.061 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414933025 487830243 /nfs/dbraw/zinc/83/02/43/487830243.db2.gz WJOGZFVTSOALLT-XUXIUFHCSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414933441 386784321 /nfs/dbraw/zinc/78/43/21/386784321.db2.gz WWWNVFVNJHXPLB-MQYQWHSLSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414933444 386783324 /nfs/dbraw/zinc/78/33/24/386783324.db2.gz WWWNVFVNJHXPLB-RFGFWPKPSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414933447 386783948 /nfs/dbraw/zinc/78/39/48/386783948.db2.gz WWWNVFVNJHXPLB-RQJABVFESA-N 1 3 238.419 3.061 20 0 BGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414933450 386782996 /nfs/dbraw/zinc/78/29/96/386782996.db2.gz WWWNVFVNJHXPLB-SYQHCUMBSA-N 1 3 238.419 3.061 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414935374 487831419 /nfs/dbraw/zinc/83/14/19/487831419.db2.gz YKMQHPPZTBZZGK-KKUMJFAQSA-N 1 3 240.435 3.452 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414935375 487831464 /nfs/dbraw/zinc/83/14/64/487831464.db2.gz YKMQHPPZTBZZGK-RRFJBIMHSA-N 1 3 240.435 3.452 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414935377 487831511 /nfs/dbraw/zinc/83/15/11/487831511.db2.gz YKMQHPPZTBZZGK-SOUVJXGZSA-N 1 3 240.435 3.452 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414935380 487831328 /nfs/dbraw/zinc/83/13/28/487831328.db2.gz YKMQHPPZTBZZGK-ZNMIVQPWSA-N 1 3 240.435 3.452 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414937588 386847736 /nfs/dbraw/zinc/84/77/36/386847736.db2.gz HVKNITAEEWLMDJ-AJNGGQMLSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414937589 386849988 /nfs/dbraw/zinc/84/99/88/386849988.db2.gz HVKNITAEEWLMDJ-LJISPDSOSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000414937591 386848631 /nfs/dbraw/zinc/84/86/31/386848631.db2.gz HVKNITAEEWLMDJ-XGUBFFRZSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414937593 386849513 /nfs/dbraw/zinc/84/95/13/386849513.db2.gz HVKNITAEEWLMDJ-ZQDZILKHSA-N 1 3 240.435 3.035 20 0 BGADHO CCCC1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC000414939747 386717959 /nfs/dbraw/zinc/71/79/59/386717959.db2.gz BCASCYBDIKMSQX-VXGQWTEUSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC000414939754 386716833 /nfs/dbraw/zinc/71/68/33/386716833.db2.gz BCASCYBDIKMSQX-XSCHDIRWSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414943696 385774206 /nfs/dbraw/zinc/77/42/06/385774206.db2.gz FSZVKJWVFZIXQI-KBXIAJHMSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414943698 385775235 /nfs/dbraw/zinc/77/52/35/385775235.db2.gz FSZVKJWVFZIXQI-TUVASFSCSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414943700 191628916 /nfs/dbraw/zinc/62/89/16/191628916.db2.gz FSZVKJWVFZIXQI-XGUBFFRZSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414943702 385774710 /nfs/dbraw/zinc/77/47/10/385774710.db2.gz FSZVKJWVFZIXQI-YJNKXOJESA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@H](CC)CC[NH2+]C1(C)CCNCC1 ZINC000414944617 487829959 /nfs/dbraw/zinc/82/99/59/487829959.db2.gz QGKLYYMYNDAAQY-AWEZNQCLSA-N 1 3 240.435 3.325 20 0 BGADHO CCCC[C@@H](CC)CC[NH2+]C1(C)CCNCC1 ZINC000414944619 487830479 /nfs/dbraw/zinc/83/04/79/487830479.db2.gz QGKLYYMYNDAAQY-CQSZACIVSA-N 1 3 240.435 3.325 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414944805 385785298 /nfs/dbraw/zinc/78/52/98/385785298.db2.gz HILRIVYRLSYRGS-AJNGGQMLSA-N 1 3 240.435 3.177 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414944808 385783890 /nfs/dbraw/zinc/78/38/90/385783890.db2.gz HILRIVYRLSYRGS-LJISPDSOSA-N 1 3 240.435 3.177 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414944810 385785405 /nfs/dbraw/zinc/78/54/05/385785405.db2.gz HILRIVYRLSYRGS-XGUBFFRZSA-N 1 3 240.435 3.177 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414944813 385784340 /nfs/dbraw/zinc/78/43/40/385784340.db2.gz HILRIVYRLSYRGS-ZQDZILKHSA-N 1 3 240.435 3.177 20 0 BGADHO CC(C)c1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414944877 385783850 /nfs/dbraw/zinc/78/38/50/385783850.db2.gz QPKFUIHXMFFGFI-UHFFFAOYSA-N 1 3 246.398 3.042 20 0 BGADHO CC1([NH2+]CCC2CCCCCC2)CCNCC1 ZINC000414945200 385800744 /nfs/dbraw/zinc/80/07/44/385800744.db2.gz RDULMYDQJRLSST-UHFFFAOYSA-N 1 3 238.419 3.079 20 0 BGADHO CC1([NH2+]CCCC2CCCCC2)CCNCC1 ZINC000414945847 385793867 /nfs/dbraw/zinc/79/38/67/385793867.db2.gz SIMJXXRPFXJKRO-UHFFFAOYSA-N 1 3 238.419 3.079 20 0 BGADHO C[C@H]1C[C@H]([NH2+]CCCC2CCCCC2)CCN1 ZINC000414947290 385802300 /nfs/dbraw/zinc/80/23/00/385802300.db2.gz KPHYMKKFQUXGOK-DZGCQCFKSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H]1C[C@@H]([NH2+]CCCC2CCCCC2)CCN1 ZINC000414947291 385801922 /nfs/dbraw/zinc/80/19/22/385801922.db2.gz KPHYMKKFQUXGOK-HIFRSBDPSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H]1C[C@H]([NH2+]CCCC2CCCCC2)CCN1 ZINC000414947292 385803206 /nfs/dbraw/zinc/80/32/06/385803206.db2.gz KPHYMKKFQUXGOK-UKRRQHHQSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H]1C[C@@H]([NH2+]CCCC2CCCCC2)CCN1 ZINC000414947293 385803443 /nfs/dbraw/zinc/80/34/43/385803443.db2.gz KPHYMKKFQUXGOK-ZFWWWQNUSA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414950476 487831236 /nfs/dbraw/zinc/83/12/36/487831236.db2.gz OORLKXHKCLFUBJ-ILXRZTDVSA-N 1 3 240.435 3.323 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414950477 487831390 /nfs/dbraw/zinc/83/13/90/487831390.db2.gz OORLKXHKCLFUBJ-KKUMJFAQSA-N 1 3 240.435 3.323 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414950478 487831052 /nfs/dbraw/zinc/83/10/52/487831052.db2.gz OORLKXHKCLFUBJ-QLFBSQMISA-N 1 3 240.435 3.323 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414950479 487831336 /nfs/dbraw/zinc/83/13/36/487831336.db2.gz OORLKXHKCLFUBJ-SOUVJXGZSA-N 1 3 240.435 3.323 20 0 BGADHO C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414954207 385834909 /nfs/dbraw/zinc/83/49/09/385834909.db2.gz SJTBTHPIEPMAIE-GUTXKFCHSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414954210 385835293 /nfs/dbraw/zinc/83/52/93/385835293.db2.gz SJTBTHPIEPMAIE-GZBFAFLISA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414954213 200785333 /nfs/dbraw/zinc/78/53/33/200785333.db2.gz SJTBTHPIEPMAIE-NFAWXSAZSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414954215 385834290 /nfs/dbraw/zinc/83/42/90/385834290.db2.gz SJTBTHPIEPMAIE-UMVBOHGHSA-N 1 3 238.419 3.075 20 0 BGADHO CCC1(C)CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC000414955354 385835999 /nfs/dbraw/zinc/83/59/99/385835999.db2.gz UCZQPNDSKZZTHT-FEWQNLEASA-N 1 3 238.419 3.075 20 0 BGADHO CCC1(C)CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC000414955356 385836657 /nfs/dbraw/zinc/83/66/57/385836657.db2.gz UCZQPNDSKZZTHT-FGZQJIAISA-N 1 3 238.419 3.075 20 0 BGADHO CCC1(C)CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC000414955358 191632966 /nfs/dbraw/zinc/63/29/66/191632966.db2.gz UCZQPNDSKZZTHT-JLVJUDLZSA-N 1 3 238.419 3.075 20 0 BGADHO CCC1(C)CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC000414955361 385836508 /nfs/dbraw/zinc/83/65/08/385836508.db2.gz UCZQPNDSKZZTHT-LQULJDIASA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC000414962698 385893674 /nfs/dbraw/zinc/89/36/74/385893674.db2.gz ZWMMOTABYBGBOW-DZGCQCFKSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC000414962702 385893224 /nfs/dbraw/zinc/89/32/24/385893224.db2.gz ZWMMOTABYBGBOW-HIFRSBDPSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC000414962705 385894259 /nfs/dbraw/zinc/89/42/59/385894259.db2.gz ZWMMOTABYBGBOW-UKRRQHHQSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC000414962709 385892964 /nfs/dbraw/zinc/89/29/64/385892964.db2.gz ZWMMOTABYBGBOW-ZFWWWQNUSA-N 1 3 238.419 3.077 20 0 BGADHO CC[NH2+][C@H](C)CN[C@H](C)C[C@@H](C)CC(C)C ZINC000414969970 385955538 /nfs/dbraw/zinc/95/55/38/385955538.db2.gz ZRGDNRPGFKPUNY-BFHYXJOUSA-N 1 3 228.424 3.035 20 0 BGADHO CC[NH2+][C@H](C)CN[C@@H](C)C[C@H](C)CC(C)C ZINC000414969972 385953983 /nfs/dbraw/zinc/95/39/83/385953983.db2.gz ZRGDNRPGFKPUNY-HZSPNIEDSA-N 1 3 228.424 3.035 20 0 BGADHO CC[NH2+][C@H](C)CN[C@@H](C)C[C@@H](C)CC(C)C ZINC000414969974 385955452 /nfs/dbraw/zinc/95/54/52/385955452.db2.gz ZRGDNRPGFKPUNY-MELADBBJSA-N 1 3 228.424 3.035 20 0 BGADHO CC[NH2+][C@H](C)CN[C@H](C)C[C@H](C)CC(C)C ZINC000414969975 385954644 /nfs/dbraw/zinc/95/46/44/385954644.db2.gz ZRGDNRPGFKPUNY-MGPQQGTHSA-N 1 3 228.424 3.035 20 0 BGADHO CC[C@H]([NH3+])CNC[C@@H](CC(C)C)c1ccccc1 ZINC000414983580 386084141 /nfs/dbraw/zinc/08/41/41/386084141.db2.gz FCAABIQTJZBZKM-CVEARBPZSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@H]([NH3+])CNC[C@H](CC(C)C)c1ccccc1 ZINC000414983581 386084565 /nfs/dbraw/zinc/08/45/65/386084565.db2.gz FCAABIQTJZBZKM-HOTGVXAUSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@@H]([NH3+])CNC[C@@H](CC(C)C)c1ccccc1 ZINC000414983582 386085096 /nfs/dbraw/zinc/08/50/96/386085096.db2.gz FCAABIQTJZBZKM-HZPDHXFCSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@@H]([NH3+])CNC[C@H](CC(C)C)c1ccccc1 ZINC000414983583 386084766 /nfs/dbraw/zinc/08/47/66/386084766.db2.gz FCAABIQTJZBZKM-JKSUJKDBSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@@H]([NH3+])CN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000414988889 386135509 /nfs/dbraw/zinc/13/55/09/386135509.db2.gz MNWFZDYLGVYDIM-DZGCQCFKSA-N 1 3 248.414 3.070 20 0 BGADHO CC[C@H]([NH3+])CN[C@H](C)CC(C)(C)c1ccccc1 ZINC000414988890 386134551 /nfs/dbraw/zinc/13/45/51/386134551.db2.gz MNWFZDYLGVYDIM-HIFRSBDPSA-N 1 3 248.414 3.070 20 0 BGADHO CC[C@@H]([NH3+])CN[C@H](C)CC(C)(C)c1ccccc1 ZINC000414988891 386134283 /nfs/dbraw/zinc/13/42/83/386134283.db2.gz MNWFZDYLGVYDIM-UKRRQHHQSA-N 1 3 248.414 3.070 20 0 BGADHO CC[C@H]([NH3+])CN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000414988892 386134707 /nfs/dbraw/zinc/13/47/07/386134707.db2.gz MNWFZDYLGVYDIM-ZFWWWQNUSA-N 1 3 248.414 3.070 20 0 BGADHO C[C@H](CCCC[NH3+])NCc1sccc1Cl ZINC000415007227 386356182 /nfs/dbraw/zinc/35/61/82/386356182.db2.gz AZMGMQMBHSLOCH-SECBINFHSA-N 1 3 246.807 3.009 20 0 BGADHO C[C@@H](CCCC[NH3+])NCc1sccc1Cl ZINC000415007229 386354959 /nfs/dbraw/zinc/35/49/59/386354959.db2.gz AZMGMQMBHSLOCH-VIFPVBQESA-N 1 3 246.807 3.009 20 0 BGADHO CC(C)C[C@H](CN[C@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000415025184 386514686 /nfs/dbraw/zinc/51/46/86/386514686.db2.gz ZSALIHWRYUERSO-IIAWOOMASA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)C[C@H](CN[C@@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000415025187 386515153 /nfs/dbraw/zinc/51/51/53/386515153.db2.gz ZSALIHWRYUERSO-IJEWVQPXSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)C[C@H](CN[C@@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000415025190 386514968 /nfs/dbraw/zinc/51/49/68/386514968.db2.gz ZSALIHWRYUERSO-OFQRWUPVSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)C[C@H](CN[C@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000415025192 386514562 /nfs/dbraw/zinc/51/45/62/386514562.db2.gz ZSALIHWRYUERSO-SQWLQELKSA-N 1 3 248.414 3.142 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+]CCCNC1CC1 ZINC000415064042 386545920 /nfs/dbraw/zinc/54/59/20/386545920.db2.gz BMWGSVUXBRSYIH-CYBMUJFWSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H](CCC1CCCC1)[NH2+]CCCNC1CC1 ZINC000415064043 386543857 /nfs/dbraw/zinc/54/38/57/386543857.db2.gz BMWGSVUXBRSYIH-ZDUSSCGKSA-N 1 3 238.419 3.077 20 0 BGADHO CCC1(C)CCC([NH2+]CCCNC2CC2)CC1 ZINC000415064790 386545728 /nfs/dbraw/zinc/54/57/28/386545728.db2.gz DMHCTPXHFWXQQL-UHFFFAOYSA-N 1 3 238.419 3.077 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCCNC1CC1 ZINC000415067984 386551846 /nfs/dbraw/zinc/55/18/46/386551846.db2.gz LWJVZZIZELQKQX-KBPBESRZSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCCNC1CC1 ZINC000415067985 386551124 /nfs/dbraw/zinc/55/11/24/386551124.db2.gz LWJVZZIZELQKQX-KGLIPLIRSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCCNC1CC1 ZINC000415067987 386551389 /nfs/dbraw/zinc/55/13/89/386551389.db2.gz LWJVZZIZELQKQX-UONOGXRCSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCCNC1CC1 ZINC000415067988 191667251 /nfs/dbraw/zinc/66/72/51/191667251.db2.gz LWJVZZIZELQKQX-ZIAGYGMSSA-N 1 3 240.435 3.179 20 0 BGADHO CCCC[C@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000415068603 386550424 /nfs/dbraw/zinc/55/04/24/386550424.db2.gz NFWFXDHOGKWDJH-DZGCQCFKSA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000415068606 386551376 /nfs/dbraw/zinc/55/13/76/386551376.db2.gz NFWFXDHOGKWDJH-HIFRSBDPSA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000415068608 386551014 /nfs/dbraw/zinc/55/10/14/386551014.db2.gz NFWFXDHOGKWDJH-UKRRQHHQSA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000415068610 386552292 /nfs/dbraw/zinc/55/22/92/386552292.db2.gz NFWFXDHOGKWDJH-ZFWWWQNUSA-N 1 3 238.419 3.077 20 0 BGADHO Cc1cccc([C@H](NCCC[NH3+])C(C)(C)C)c1 ZINC000415075031 386569205 /nfs/dbraw/zinc/56/92/05/386569205.db2.gz DRIGIVRBEFWGOV-AWEZNQCLSA-N 1 3 234.387 3.021 20 0 BGADHO Cc1cccc([C@@H](NCCC[NH3+])C(C)(C)C)c1 ZINC000415075032 386568410 /nfs/dbraw/zinc/56/84/10/386568410.db2.gz DRIGIVRBEFWGOV-CQSZACIVSA-N 1 3 234.387 3.021 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415075554 386568864 /nfs/dbraw/zinc/56/88/64/386568864.db2.gz BQDVHHPCQIYRIB-ILXRZTDVSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415075557 386569770 /nfs/dbraw/zinc/56/97/70/386569770.db2.gz BQDVHHPCQIYRIB-KKUMJFAQSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415075560 386568333 /nfs/dbraw/zinc/56/83/33/386568333.db2.gz BQDVHHPCQIYRIB-QLFBSQMISA-N 1 3 246.398 3.034 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415075562 386568322 /nfs/dbraw/zinc/56/83/22/386568322.db2.gz BQDVHHPCQIYRIB-SOUVJXGZSA-N 1 3 246.398 3.034 20 0 BGADHO CC(C)c1ccc([C@@H](NCCC[NH3+])C(C)C)cc1 ZINC000415078107 487836052 /nfs/dbraw/zinc/83/60/52/487836052.db2.gz IIBBAXJEKOTMFG-INIZCTEOSA-N 1 3 248.414 3.446 20 0 BGADHO CC(C)c1ccc([C@H](NCCC[NH3+])C(C)C)cc1 ZINC000415078108 487835971 /nfs/dbraw/zinc/83/59/71/487835971.db2.gz IIBBAXJEKOTMFG-MRXNPFEDSA-N 1 3 248.414 3.446 20 0 BGADHO CCCCC1CCC([NH2+]C2CCNCC2)CC1 ZINC000415079616 386580939 /nfs/dbraw/zinc/58/09/39/386580939.db2.gz IOCAJURXGHVSCO-UHFFFAOYSA-N 1 3 238.419 3.077 20 0 BGADHO CC(C)CC[C@H]([NH2+]C1CCNCC1)C(C)(C)C ZINC000415088657 398158289 /nfs/dbraw/zinc/15/82/89/398158289.db2.gz WOKIYNYQRZHESM-AWEZNQCLSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)CC[C@@H]([NH2+]C1CCNCC1)C(C)(C)C ZINC000415088658 398158444 /nfs/dbraw/zinc/15/84/44/398158444.db2.gz WOKIYNYQRZHESM-CQSZACIVSA-N 1 3 240.435 3.179 20 0 BGADHO CC[C@H]([NH2+]C[C@H](N)CC(C)C)c1cccs1 ZINC000415090252 386610918 /nfs/dbraw/zinc/61/09/18/386610918.db2.gz YSMXDWFOWFGGKT-NEPJUHHUSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](N)CC(C)C)c1cccs1 ZINC000415090253 386609570 /nfs/dbraw/zinc/60/95/70/386609570.db2.gz YSMXDWFOWFGGKT-NWDGAFQWSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@H]([NH2+]C[C@@H](N)CC(C)C)c1cccs1 ZINC000415090254 386609902 /nfs/dbraw/zinc/60/99/02/386609902.db2.gz YSMXDWFOWFGGKT-RYUDHWBXSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@@H]([NH2+]C[C@H](N)CC(C)C)c1cccs1 ZINC000415090255 386609746 /nfs/dbraw/zinc/60/97/46/386609746.db2.gz YSMXDWFOWFGGKT-VXGBXAGGSA-N 1 3 240.416 3.162 20 0 BGADHO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCCNCC1 ZINC000415094598 411490565 /nfs/dbraw/zinc/49/05/65/411490565.db2.gz FDKFIMHDQDXHDU-HIFRSBDPSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000415094600 411491138 /nfs/dbraw/zinc/49/11/38/411491138.db2.gz FDKFIMHDQDXHDU-UKRRQHHQSA-N 1 3 238.419 3.077 20 0 BGADHO Cc1ccccc1[C@H](CC(C)C)NCCC[NH3+] ZINC000415098478 398162354 /nfs/dbraw/zinc/16/23/54/398162354.db2.gz FEELILBDKFUQHG-HNNXBMFYSA-N 1 3 234.387 3.021 20 0 BGADHO Cc1ccccc1[C@@H](CC(C)C)NCCC[NH3+] ZINC000415098479 191678262 /nfs/dbraw/zinc/67/82/62/191678262.db2.gz FEELILBDKFUQHG-OAHLLOKOSA-N 1 3 234.387 3.021 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000415109426 386617894 /nfs/dbraw/zinc/61/78/94/386617894.db2.gz LUWHKIDWWURLNG-DZKIICNBSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1cccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000415109428 386618420 /nfs/dbraw/zinc/61/84/20/386618420.db2.gz LUWHKIDWWURLNG-LZWOXQAQSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000415109430 386618062 /nfs/dbraw/zinc/61/80/62/386618062.db2.gz LUWHKIDWWURLNG-OFQRWUPVSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1cccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000415109432 386622031 /nfs/dbraw/zinc/62/20/31/386622031.db2.gz LUWHKIDWWURLNG-SQWLQELKSA-N 1 3 246.398 3.034 20 0 BGADHO CC(C)(C)[NH2+]CCN[C@@H]1CCC[C@H]1C(C)(C)C ZINC000415120649 386632625 /nfs/dbraw/zinc/63/26/25/386632625.db2.gz IZPGOIIILGXQDJ-CHWSQXEVSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)(C)[NH2+]CCN[C@H]1CCC[C@H]1C(C)(C)C ZINC000415120651 386632763 /nfs/dbraw/zinc/63/27/63/386632763.db2.gz IZPGOIIILGXQDJ-OLZOCXBDSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)(C)[NH2+]CCN[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000415120653 386631766 /nfs/dbraw/zinc/63/17/66/386631766.db2.gz IZPGOIIILGXQDJ-QWHCGFSZSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)(C)[NH2+]CCN[C@H]1CCC[C@@H]1C(C)(C)C ZINC000415120655 386632982 /nfs/dbraw/zinc/63/29/82/386632982.db2.gz IZPGOIIILGXQDJ-STQMWFEESA-N 1 3 240.435 3.179 20 0 BGADHO CCC[C@@H](CN(C)CCC[NH2+]C)c1ccccc1 ZINC000415135333 386631365 /nfs/dbraw/zinc/63/13/65/386631365.db2.gz QFNRGEZMRAETBF-INIZCTEOSA-N 1 3 248.414 3.112 20 0 BGADHO CCC[C@H](CN(C)CCC[NH2+]C)c1ccccc1 ZINC000415135335 386633674 /nfs/dbraw/zinc/63/36/74/386633674.db2.gz QFNRGEZMRAETBF-MRXNPFEDSA-N 1 3 248.414 3.112 20 0 BGADHO CCCN(C[C@H](C)[NH3+])[C@H](CC)c1ccccc1 ZINC000420295858 192205268 /nfs/dbraw/zinc/20/52/68/192205268.db2.gz BAXVFVJPCMSTNV-DZGCQCFKSA-N 1 3 234.387 3.197 20 0 BGADHO CCCN(C[C@@H](C)[NH3+])[C@@H](CC)c1ccccc1 ZINC000420295862 192204483 /nfs/dbraw/zinc/20/44/83/192204483.db2.gz BAXVFVJPCMSTNV-HIFRSBDPSA-N 1 3 234.387 3.197 20 0 BGADHO CCCN(C[C@@H](C)[NH3+])[C@H](CC)c1ccccc1 ZINC000420295864 192205629 /nfs/dbraw/zinc/20/56/29/192205629.db2.gz BAXVFVJPCMSTNV-UKRRQHHQSA-N 1 3 234.387 3.197 20 0 BGADHO CCCN(C[C@H](C)[NH3+])[C@@H](CC)c1ccccc1 ZINC000420295866 192205982 /nfs/dbraw/zinc/20/59/82/192205982.db2.gz BAXVFVJPCMSTNV-ZFWWWQNUSA-N 1 3 234.387 3.197 20 0 BGADHO CC[N@@H+](CCCC(C)(C)C)[C@H]1CCCNCC1 ZINC000420308409 192210590 /nfs/dbraw/zinc/21/05/90/192210590.db2.gz KAEGWSHIOQTRSI-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[N@H+](CCCC(C)(C)C)[C@H]1CCCNCC1 ZINC000420308409 192210589 /nfs/dbraw/zinc/21/05/89/192210589.db2.gz KAEGWSHIOQTRSI-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CC[N@@H+](CCCC(C)(C)C)[C@@H]1CCCNCC1 ZINC000420308411 192211666 /nfs/dbraw/zinc/21/16/66/192211666.db2.gz KAEGWSHIOQTRSI-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CC[N@H+](CCCC(C)(C)C)[C@@H]1CCCNCC1 ZINC000420308411 192211663 /nfs/dbraw/zinc/21/16/63/192211663.db2.gz KAEGWSHIOQTRSI-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000420314711 192213162 /nfs/dbraw/zinc/21/31/62/192213162.db2.gz WCPBTKCFINLWID-CYBMUJFWSA-N 1 3 246.398 3.342 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000420314713 192212019 /nfs/dbraw/zinc/21/20/19/192212019.db2.gz WCPBTKCFINLWID-ZDUSSCGKSA-N 1 3 246.398 3.342 20 0 BGADHO CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](N)[C@@H]2C)cc1 ZINC000420355524 192219112 /nfs/dbraw/zinc/21/91/12/192219112.db2.gz PTONTQXZJJZYME-WWGRRREGSA-N 1 3 246.398 3.293 20 0 BGADHO CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](N)[C@@H]2C)cc1 ZINC000420355524 192219110 /nfs/dbraw/zinc/21/91/10/192219110.db2.gz PTONTQXZJJZYME-WWGRRREGSA-N 1 3 246.398 3.293 20 0 BGADHO C[NH2+]CCCN1CCC[C@H]1c1cc(C)ccc1C ZINC000420366333 192224037 /nfs/dbraw/zinc/22/40/37/192224037.db2.gz UBTRSBLKVYGGAT-INIZCTEOSA-N 1 3 246.398 3.050 20 0 BGADHO C[NH2+]CCCN1CCC[C@@H]1c1cc(C)ccc1C ZINC000420366335 192224359 /nfs/dbraw/zinc/22/43/59/192224359.db2.gz UBTRSBLKVYGGAT-MRXNPFEDSA-N 1 3 246.398 3.050 20 0 BGADHO CCc1ccc([C@@H](NCCC[NH2+]C)C(C)C)cc1 ZINC000420366628 192225861 /nfs/dbraw/zinc/22/58/61/192225861.db2.gz GHPVEYFZMMMZGA-INIZCTEOSA-N 1 3 248.414 3.145 20 0 BGADHO CCc1ccc([C@H](NCCC[NH2+]C)C(C)C)cc1 ZINC000420366630 192225938 /nfs/dbraw/zinc/22/59/38/192225938.db2.gz GHPVEYFZMMMZGA-MRXNPFEDSA-N 1 3 248.414 3.145 20 0 BGADHO C[NH2+]CCCNC1(c2ccccc2)CCCCC1 ZINC000420368187 192225491 /nfs/dbraw/zinc/22/54/91/192225491.db2.gz HNQGZLSTHFYSPC-UHFFFAOYSA-N 1 3 246.398 3.045 20 0 BGADHO C[NH2+]CCCN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000420403143 192238625 /nfs/dbraw/zinc/23/86/25/192238625.db2.gz KRFIFAWBNKKRSX-HNNXBMFYSA-N 1 3 248.414 3.281 20 0 BGADHO C[NH2+]CCCN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000420403145 192238275 /nfs/dbraw/zinc/23/82/75/192238275.db2.gz KRFIFAWBNKKRSX-OAHLLOKOSA-N 1 3 248.414 3.281 20 0 BGADHO C[NH2+]CCCN[C@@H](CC(C)C)c1ccccc1C ZINC000420408571 192239182 /nfs/dbraw/zinc/23/91/82/192239182.db2.gz POFPICJOWGHQLN-INIZCTEOSA-N 1 3 248.414 3.281 20 0 BGADHO C[NH2+]CCCN[C@H](CC(C)C)c1ccccc1C ZINC000420408572 192239844 /nfs/dbraw/zinc/23/98/44/192239844.db2.gz POFPICJOWGHQLN-MRXNPFEDSA-N 1 3 248.414 3.281 20 0 BGADHO CCC(N)(CC)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555102 387599463 /nfs/dbraw/zinc/59/94/63/387599463.db2.gz OHPAERNGNKOHMI-UHFFFAOYSA-N 1 3 246.398 3.171 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422701152 387614428 /nfs/dbraw/zinc/61/44/28/387614428.db2.gz CURWEEJQVGPOTG-DZKIICNBSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422701172 387615904 /nfs/dbraw/zinc/61/59/04/387615904.db2.gz CURWEEJQVGPOTG-LZWOXQAQSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422701173 387616318 /nfs/dbraw/zinc/61/63/18/387616318.db2.gz CURWEEJQVGPOTG-OFQRWUPVSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422701175 387614457 /nfs/dbraw/zinc/61/44/57/387614457.db2.gz CURWEEJQVGPOTG-SQWLQELKSA-N 1 3 246.398 3.034 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000422701692 387615390 /nfs/dbraw/zinc/61/53/90/387615390.db2.gz CHHUBFRDHYKLDR-APIJFGDWSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422701692 387615387 /nfs/dbraw/zinc/61/53/87/387615387.db2.gz CHHUBFRDHYKLDR-APIJFGDWSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000422701693 387615770 /nfs/dbraw/zinc/61/57/70/387615770.db2.gz CHHUBFRDHYKLDR-GBJTYRQASA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422701693 387615766 /nfs/dbraw/zinc/61/57/66/387615766.db2.gz CHHUBFRDHYKLDR-GBJTYRQASA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@H]1CCCN1 ZINC000422701694 387616459 /nfs/dbraw/zinc/61/64/59/387616459.db2.gz CHHUBFRDHYKLDR-KBUPBQIOSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422701694 387616454 /nfs/dbraw/zinc/61/64/54/387616454.db2.gz CHHUBFRDHYKLDR-KBUPBQIOSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000422701695 387616272 /nfs/dbraw/zinc/61/62/72/387616272.db2.gz CHHUBFRDHYKLDR-KBXIAJHMSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422701695 387616268 /nfs/dbraw/zinc/61/62/68/387616268.db2.gz CHHUBFRDHYKLDR-KBXIAJHMSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000422701696 387615467 /nfs/dbraw/zinc/61/54/67/387615467.db2.gz CHHUBFRDHYKLDR-LJISPDSOSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422701696 387615463 /nfs/dbraw/zinc/61/54/63/387615463.db2.gz CHHUBFRDHYKLDR-LJISPDSOSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCN1 ZINC000422701698 387615491 /nfs/dbraw/zinc/61/54/91/387615491.db2.gz CHHUBFRDHYKLDR-TUVASFSCSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422701698 387615489 /nfs/dbraw/zinc/61/54/89/387615489.db2.gz CHHUBFRDHYKLDR-TUVASFSCSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000422701699 387615939 /nfs/dbraw/zinc/61/59/39/387615939.db2.gz CHHUBFRDHYKLDR-XGUBFFRZSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422701699 387615935 /nfs/dbraw/zinc/61/59/35/387615935.db2.gz CHHUBFRDHYKLDR-XGUBFFRZSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000422701701 387616533 /nfs/dbraw/zinc/61/65/33/387616533.db2.gz CHHUBFRDHYKLDR-YJNKXOJESA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422701701 387616531 /nfs/dbraw/zinc/61/65/31/387616531.db2.gz CHHUBFRDHYKLDR-YJNKXOJESA-N 1 3 238.419 3.075 20 0 BGADHO Cc1ccccc1[C@H](N[C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422703432 387618841 /nfs/dbraw/zinc/61/88/41/387618841.db2.gz HTKGOXQZICMFJM-IIAWOOMASA-N 1 3 248.414 3.408 20 0 BGADHO Cc1ccccc1[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422703433 387618314 /nfs/dbraw/zinc/61/83/14/387618314.db2.gz HTKGOXQZICMFJM-IJEWVQPXSA-N 1 3 248.414 3.408 20 0 BGADHO Cc1ccccc1[C@H](N[C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422703434 387618660 /nfs/dbraw/zinc/61/86/60/387618660.db2.gz HTKGOXQZICMFJM-OFQRWUPVSA-N 1 3 248.414 3.408 20 0 BGADHO Cc1ccccc1[C@H](N[C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422703435 387619136 /nfs/dbraw/zinc/61/91/36/387619136.db2.gz HTKGOXQZICMFJM-SQWLQELKSA-N 1 3 248.414 3.408 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2ccccc2c1 ZINC000422703503 387617825 /nfs/dbraw/zinc/61/78/25/387617825.db2.gz NGWPTPGNVDSJCC-CHWSQXEVSA-N 1 3 242.366 3.055 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2ccccc2c1 ZINC000422703506 387617390 /nfs/dbraw/zinc/61/73/90/387617390.db2.gz NGWPTPGNVDSJCC-OLZOCXBDSA-N 1 3 242.366 3.055 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2ccccc2c1 ZINC000422703508 387619048 /nfs/dbraw/zinc/61/90/48/387619048.db2.gz NGWPTPGNVDSJCC-QWHCGFSZSA-N 1 3 242.366 3.055 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2ccccc2c1 ZINC000422703510 387619163 /nfs/dbraw/zinc/61/91/63/387619163.db2.gz NGWPTPGNVDSJCC-STQMWFEESA-N 1 3 242.366 3.055 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCCc1ccccc1 ZINC000422703519 387618585 /nfs/dbraw/zinc/61/85/85/387618585.db2.gz NHHSQJZYFKZTSU-CABCVRRESA-N 1 3 248.414 3.115 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CCCCCc1ccccc1 ZINC000422703520 387618252 /nfs/dbraw/zinc/61/82/52/387618252.db2.gz NHHSQJZYFKZTSU-GJZGRUSLSA-N 1 3 248.414 3.115 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCCc1ccccc1 ZINC000422703521 387618377 /nfs/dbraw/zinc/61/83/77/387618377.db2.gz NHHSQJZYFKZTSU-HUUCEWRRSA-N 1 3 248.414 3.115 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CCCCCc1ccccc1 ZINC000422703523 387617584 /nfs/dbraw/zinc/61/75/84/387617584.db2.gz NHHSQJZYFKZTSU-LSDHHAIUSA-N 1 3 248.414 3.115 20 0 BGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@@H](C)N ZINC000422703892 387619084 /nfs/dbraw/zinc/61/90/84/387619084.db2.gz JFGYUELZESBXKO-IIAWOOMASA-N 1 3 248.414 3.113 20 0 BGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@@H](C)N ZINC000422703894 387619379 /nfs/dbraw/zinc/61/93/79/387619379.db2.gz JFGYUELZESBXKO-IJEWVQPXSA-N 1 3 248.414 3.113 20 0 BGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422703895 387618111 /nfs/dbraw/zinc/61/81/11/387618111.db2.gz JFGYUELZESBXKO-OFQRWUPVSA-N 1 3 248.414 3.113 20 0 BGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@H](C)N ZINC000422703897 387618360 /nfs/dbraw/zinc/61/83/60/387618360.db2.gz JFGYUELZESBXKO-SQWLQELKSA-N 1 3 248.414 3.113 20 0 BGADHO Cc1ccccc1[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422711565 387625419 /nfs/dbraw/zinc/62/54/19/387625419.db2.gz NIODQHCRLLUFLC-DVOMOZLQSA-N 1 3 246.398 3.162 20 0 BGADHO Cc1ccccc1[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422711576 387626779 /nfs/dbraw/zinc/62/67/79/387626779.db2.gz NIODQHCRLLUFLC-HEHGZKQESA-N 1 3 246.398 3.162 20 0 BGADHO Cc1ccccc1[C@H](N[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422711577 387625933 /nfs/dbraw/zinc/62/59/33/387625933.db2.gz NIODQHCRLLUFLC-WOSRLPQWSA-N 1 3 246.398 3.162 20 0 BGADHO Cc1ccccc1[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422711579 387624933 /nfs/dbraw/zinc/62/49/33/387624933.db2.gz NIODQHCRLLUFLC-XJKCOSOUSA-N 1 3 246.398 3.162 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@H](C)N ZINC000422711608 387625178 /nfs/dbraw/zinc/62/51/78/387625178.db2.gz MZAUKXRBSQVYBK-DGAVXFQQSA-N 1 3 226.408 3.061 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)N ZINC000422711610 387624523 /nfs/dbraw/zinc/62/45/23/387624523.db2.gz MZAUKXRBSQVYBK-FQUUOJAGSA-N 1 3 226.408 3.061 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)N ZINC000422711611 387626577 /nfs/dbraw/zinc/62/65/77/387626577.db2.gz MZAUKXRBSQVYBK-RQJABVFESA-N 1 3 226.408 3.061 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)N ZINC000422711612 387626433 /nfs/dbraw/zinc/62/64/33/387626433.db2.gz MZAUKXRBSQVYBK-SYQHCUMBSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000422713190 387626545 /nfs/dbraw/zinc/62/65/45/387626545.db2.gz PLRGHSVPTCLZEF-DARAHFNDSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000422713196 387626253 /nfs/dbraw/zinc/62/62/53/387626253.db2.gz PLRGHSVPTCLZEF-SDADXPQNSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000422713198 192438689 /nfs/dbraw/zinc/43/86/89/192438689.db2.gz PLRGHSVPTCLZEF-UGQVUOCMSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000422713199 387625257 /nfs/dbraw/zinc/62/52/57/387625257.db2.gz PLRGHSVPTCLZEF-WMHQRMGPSA-N 1 3 246.398 3.038 20 0 BGADHO CCC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1CCCCC1 ZINC000422714397 387629359 /nfs/dbraw/zinc/62/93/59/387629359.db2.gz QZYSLRUEGJXHIJ-GUTXKFCHSA-N 1 3 240.435 3.451 20 0 BGADHO CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1CCCCC1 ZINC000422714399 387627837 /nfs/dbraw/zinc/62/78/37/387627837.db2.gz QZYSLRUEGJXHIJ-IPYPFGDCSA-N 1 3 240.435 3.451 20 0 BGADHO CCC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1CCCCC1 ZINC000422714401 387627432 /nfs/dbraw/zinc/62/74/32/387627432.db2.gz QZYSLRUEGJXHIJ-NFAWXSAZSA-N 1 3 240.435 3.451 20 0 BGADHO CCC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1CCCCC1 ZINC000422714403 387629125 /nfs/dbraw/zinc/62/91/25/387629125.db2.gz QZYSLRUEGJXHIJ-YDHLFZDLSA-N 1 3 240.435 3.451 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)C(C)(C)c1ccccc1 ZINC000422714872 387628659 /nfs/dbraw/zinc/62/86/59/387628659.db2.gz RMGQYZYEWJMVSL-BFHYXJOUSA-N 1 3 248.414 3.068 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000422714872 387628654 /nfs/dbraw/zinc/62/86/54/387628654.db2.gz RMGQYZYEWJMVSL-BFHYXJOUSA-N 1 3 248.414 3.068 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000422714885 387628140 /nfs/dbraw/zinc/62/81/40/387628140.db2.gz RMGQYZYEWJMVSL-IHRRRGAJSA-N 1 3 248.414 3.068 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000422714885 387628134 /nfs/dbraw/zinc/62/81/34/387628134.db2.gz RMGQYZYEWJMVSL-IHRRRGAJSA-N 1 3 248.414 3.068 20 0 BGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C(C)(C)c1ccccc1 ZINC000422714886 387628045 /nfs/dbraw/zinc/62/80/45/387628045.db2.gz RMGQYZYEWJMVSL-MELADBBJSA-N 1 3 248.414 3.068 20 0 BGADHO C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)C(C)(C)c1ccccc1 ZINC000422714886 387628043 /nfs/dbraw/zinc/62/80/43/387628043.db2.gz RMGQYZYEWJMVSL-MELADBBJSA-N 1 3 248.414 3.068 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)C(C)(C)c1ccccc1 ZINC000422714887 387628082 /nfs/dbraw/zinc/62/80/82/387628082.db2.gz RMGQYZYEWJMVSL-MJBXVCDLSA-N 1 3 248.414 3.068 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000422714887 387628079 /nfs/dbraw/zinc/62/80/79/387628079.db2.gz RMGQYZYEWJMVSL-MJBXVCDLSA-N 1 3 248.414 3.068 20 0 BGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)N ZINC000422716044 387628820 /nfs/dbraw/zinc/62/88/20/387628820.db2.gz TWFQPWGMTILYDN-AJNGGQMLSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)N ZINC000422716045 387628962 /nfs/dbraw/zinc/62/89/62/387628962.db2.gz TWFQPWGMTILYDN-KBXIAJHMSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)N ZINC000422716046 387628266 /nfs/dbraw/zinc/62/82/66/387628266.db2.gz TWFQPWGMTILYDN-QPSCCSFWSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[C@H](C)N ZINC000422716047 387629326 /nfs/dbraw/zinc/62/93/26/387629326.db2.gz TWFQPWGMTILYDN-XGUBFFRZSA-N 1 3 240.435 3.307 20 0 BGADHO CCC[C@H]([NH2+]C1CCNCC1)C1CCCCC1 ZINC000422718364 387629929 /nfs/dbraw/zinc/62/99/29/387629929.db2.gz XBDZTVGYOQGBSN-HNNXBMFYSA-N 1 3 238.419 3.077 20 0 BGADHO CCC[C@@H]([NH2+]C1CCNCC1)C1CCCCC1 ZINC000422718373 387630664 /nfs/dbraw/zinc/63/06/64/387630664.db2.gz XBDZTVGYOQGBSN-OAHLLOKOSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000422718498 387630757 /nfs/dbraw/zinc/63/07/57/387630757.db2.gz PVHITNVEHFWRAR-HEHGZKQESA-N 1 3 246.398 3.243 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](c1ccccc1)C1CCC1 ZINC000422718499 387631611 /nfs/dbraw/zinc/63/16/11/387631611.db2.gz PVHITNVEHFWRAR-WOSRLPQWSA-N 1 3 246.398 3.243 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000422718500 387629879 /nfs/dbraw/zinc/62/98/79/387629879.db2.gz PVHITNVEHFWRAR-XEZPLFJOSA-N 1 3 246.398 3.243 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](c1ccccc1)C1CCC1 ZINC000422718502 387631956 /nfs/dbraw/zinc/63/19/56/387631956.db2.gz PVHITNVEHFWRAR-ZENOOKHLSA-N 1 3 246.398 3.243 20 0 BGADHO CC(C)(C)CCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422720502 387632542 /nfs/dbraw/zinc/63/25/42/387632542.db2.gz SNSMOWGTYFAUIB-KBPBESRZSA-N 1 3 240.435 3.310 20 0 BGADHO CC(C)(C)CCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422720503 192442204 /nfs/dbraw/zinc/44/22/04/192442204.db2.gz SNSMOWGTYFAUIB-KGLIPLIRSA-N 1 3 240.435 3.310 20 0 BGADHO CC(C)(C)CCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422720504 387633869 /nfs/dbraw/zinc/63/38/69/387633869.db2.gz SNSMOWGTYFAUIB-UONOGXRCSA-N 1 3 240.435 3.310 20 0 BGADHO CC(C)(C)CCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422720505 387633684 /nfs/dbraw/zinc/63/36/84/387633684.db2.gz SNSMOWGTYFAUIB-ZIAGYGMSSA-N 1 3 240.435 3.310 20 0 BGADHO CC(C)(C)CCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422722236 387632667 /nfs/dbraw/zinc/63/26/67/387632667.db2.gz XHHNKITZPQFHKI-PBWFPOADSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000422722988 387632759 /nfs/dbraw/zinc/63/27/59/387632759.db2.gz ZHTDTPIWOBCMER-KBPBESRZSA-N 1 3 240.435 3.181 20 0 BGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000422722989 192442309 /nfs/dbraw/zinc/44/23/09/192442309.db2.gz ZHTDTPIWOBCMER-KGLIPLIRSA-N 1 3 240.435 3.181 20 0 BGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000422722990 387632876 /nfs/dbraw/zinc/63/28/76/387632876.db2.gz ZHTDTPIWOBCMER-UONOGXRCSA-N 1 3 240.435 3.181 20 0 BGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000422722991 387633768 /nfs/dbraw/zinc/63/37/68/387633768.db2.gz ZHTDTPIWOBCMER-ZIAGYGMSSA-N 1 3 240.435 3.181 20 0 BGADHO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H](C)C[C@H](C)N ZINC000422737744 387645233 /nfs/dbraw/zinc/64/52/33/387645233.db2.gz XWTMAYZDOXLLRI-BTFPBAQTSA-N 1 3 240.435 3.163 20 0 BGADHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)C[C@H](C)N ZINC000422737745 387644676 /nfs/dbraw/zinc/64/46/76/387644676.db2.gz XWTMAYZDOXLLRI-CAEXGNQWSA-N 1 3 240.435 3.163 20 0 BGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)C[C@H](C)N ZINC000422737746 387645809 /nfs/dbraw/zinc/64/58/09/387645809.db2.gz XWTMAYZDOXLLRI-GZBLMMOJSA-N 1 3 240.435 3.163 20 0 BGADHO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H](C)C[C@H](C)N ZINC000422737747 387645802 /nfs/dbraw/zinc/64/58/02/387645802.db2.gz XWTMAYZDOXLLRI-YYFQZIEXSA-N 1 3 240.435 3.163 20 0 BGADHO CCCC[C@H](CC)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422739618 387646576 /nfs/dbraw/zinc/64/65/76/387646576.db2.gz AHMDICSUUZGUMA-ILXRZTDVSA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](CC)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422739619 387646438 /nfs/dbraw/zinc/64/64/38/387646438.db2.gz AHMDICSUUZGUMA-KKUMJFAQSA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](CC)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422739620 387646619 /nfs/dbraw/zinc/64/66/19/387646619.db2.gz AHMDICSUUZGUMA-QLFBSQMISA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](CC)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422739621 387645735 /nfs/dbraw/zinc/64/57/35/387645735.db2.gz AHMDICSUUZGUMA-SOUVJXGZSA-N 1 3 240.435 3.181 20 0 BGADHO C[C@H](CCC1CCCCC1)[NH2+][C@H](C)C[C@H](C)N ZINC000422742722 387690982 /nfs/dbraw/zinc/69/09/82/387690982.db2.gz GYYROYDTWTWXCI-BFHYXJOUSA-N 1 3 240.435 3.451 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000422742723 387688578 /nfs/dbraw/zinc/68/85/78/387688578.db2.gz GYYROYDTWTWXCI-IHRRRGAJSA-N 1 3 240.435 3.451 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000422742724 387689741 /nfs/dbraw/zinc/68/97/41/387689741.db2.gz GYYROYDTWTWXCI-MELADBBJSA-N 1 3 240.435 3.451 20 0 BGADHO C[C@H](CCC1CCCCC1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422742725 387690150 /nfs/dbraw/zinc/69/01/50/387690150.db2.gz GYYROYDTWTWXCI-MJBXVCDLSA-N 1 3 240.435 3.451 20 0 BGADHO Cc1cccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])c1C ZINC000422747757 387649828 /nfs/dbraw/zinc/64/98/28/387649828.db2.gz QVINONLIVNACQI-BZPMIXESSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000422747758 387651195 /nfs/dbraw/zinc/65/11/95/387651195.db2.gz QVINONLIVNACQI-DYEKYZERSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])c1C ZINC000422747759 387651064 /nfs/dbraw/zinc/65/10/64/387651064.db2.gz QVINONLIVNACQI-OBJOEFQTSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])c1C ZINC000422747760 387650518 /nfs/dbraw/zinc/65/05/18/387650518.db2.gz QVINONLIVNACQI-SCRDCRAPSA-N 1 3 234.387 3.080 20 0 BGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422747837 387651703 /nfs/dbraw/zinc/65/17/03/387651703.db2.gz RALOCNCQHUUXCV-GARJFASQSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cccc(Cl)c1 ZINC000422747838 387649977 /nfs/dbraw/zinc/64/99/77/387649977.db2.gz RALOCNCQHUUXCV-HBNTYKKESA-N 1 3 240.778 3.116 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(Cl)cc1 ZINC000422748209 192453098 /nfs/dbraw/zinc/45/30/98/192453098.db2.gz SMDSKOAOSIYAGK-AXFHLTTASA-N 1 3 240.778 3.116 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000422748210 387653944 /nfs/dbraw/zinc/65/39/44/387653944.db2.gz SMDSKOAOSIYAGK-DCAQKATOSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422748211 387652981 /nfs/dbraw/zinc/65/29/81/387652981.db2.gz SMDSKOAOSIYAGK-GARJFASQSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(Cl)cc1 ZINC000422748212 387652866 /nfs/dbraw/zinc/65/28/66/387652866.db2.gz SMDSKOAOSIYAGK-HBNTYKKESA-N 1 3 240.778 3.116 20 0 BGADHO CC(C)CC[C@@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000422749544 387653857 /nfs/dbraw/zinc/65/38/57/387653857.db2.gz ZPWODBGHFFEKJL-GXTWGEPZSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)CC[C@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000422749545 387652731 /nfs/dbraw/zinc/65/27/31/387652731.db2.gz ZPWODBGHFFEKJL-JSGCOSHPSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)CC[C@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000422749546 387652897 /nfs/dbraw/zinc/65/28/97/387652897.db2.gz ZPWODBGHFFEKJL-OCCSQVGLSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)CC[C@@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000422749547 387652800 /nfs/dbraw/zinc/65/28/00/387652800.db2.gz ZPWODBGHFFEKJL-TZMCWYRMSA-N 1 3 240.435 3.035 20 0 BGADHO C[C@H](CCC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422751408 387654809 /nfs/dbraw/zinc/65/48/09/387654809.db2.gz FXNIZGVSCKJHKS-HABKJSAYSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@@H](CCC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422751409 387655769 /nfs/dbraw/zinc/65/57/69/387655769.db2.gz FXNIZGVSCKJHKS-ICIURTGMSA-N 1 3 238.419 3.074 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1csc2ccccc12 ZINC000422752851 387658905 /nfs/dbraw/zinc/65/89/05/387658905.db2.gz FQFLBYZJZDKCMF-GHMZBOCLSA-N 1 3 248.395 3.117 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)NCc1csc2ccccc12 ZINC000422752863 387657664 /nfs/dbraw/zinc/65/76/64/387657664.db2.gz FQFLBYZJZDKCMF-MNOVXSKESA-N 1 3 248.395 3.117 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)NCc1csc2ccccc12 ZINC000422752864 387657622 /nfs/dbraw/zinc/65/76/22/387657622.db2.gz FQFLBYZJZDKCMF-QWRGUYRKSA-N 1 3 248.395 3.117 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])NCc1csc2ccccc12 ZINC000422752865 387657419 /nfs/dbraw/zinc/65/74/19/387657419.db2.gz FQFLBYZJZDKCMF-WDEREUQCSA-N 1 3 248.395 3.117 20 0 BGADHO CCC[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422758894 387661072 /nfs/dbraw/zinc/66/10/72/387661072.db2.gz JLNDXDHHGIOHAU-GUTXKFCHSA-N 1 3 234.387 3.243 20 0 BGADHO CCC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422758895 387660816 /nfs/dbraw/zinc/66/08/16/387660816.db2.gz JLNDXDHHGIOHAU-IPYPFGDCSA-N 1 3 234.387 3.243 20 0 BGADHO CCC[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422758896 387660791 /nfs/dbraw/zinc/66/07/91/387660791.db2.gz JLNDXDHHGIOHAU-NFAWXSAZSA-N 1 3 234.387 3.243 20 0 BGADHO CCC[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422758897 387661816 /nfs/dbraw/zinc/66/18/16/387661816.db2.gz JLNDXDHHGIOHAU-YDHLFZDLSA-N 1 3 234.387 3.243 20 0 BGADHO CC(C)C[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422759919 192457425 /nfs/dbraw/zinc/45/74/25/192457425.db2.gz KOGDYWMCPMDAJC-DZKIICNBSA-N 1 3 248.414 3.489 20 0 BGADHO CC(C)C[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422759920 387663002 /nfs/dbraw/zinc/66/30/02/387663002.db2.gz KOGDYWMCPMDAJC-FMKPAKJESA-N 1 3 248.414 3.489 20 0 BGADHO CC(C)C[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422759921 387663819 /nfs/dbraw/zinc/66/38/19/387663819.db2.gz KOGDYWMCPMDAJC-LZWOXQAQSA-N 1 3 248.414 3.489 20 0 BGADHO CC(C)C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422759922 387662570 /nfs/dbraw/zinc/66/25/70/387662570.db2.gz KOGDYWMCPMDAJC-YCPHGPKFSA-N 1 3 248.414 3.489 20 0 BGADHO CC[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccc(C)cc1 ZINC000422764467 387665251 /nfs/dbraw/zinc/66/52/51/387665251.db2.gz PRVWHEPGMFLYQO-GUTXKFCHSA-N 1 3 234.387 3.162 20 0 BGADHO CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1ccc(C)cc1 ZINC000422764468 387666406 /nfs/dbraw/zinc/66/64/06/387666406.db2.gz PRVWHEPGMFLYQO-IPYPFGDCSA-N 1 3 234.387 3.162 20 0 BGADHO CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1ccc(C)cc1 ZINC000422764469 387664752 /nfs/dbraw/zinc/66/47/52/387664752.db2.gz PRVWHEPGMFLYQO-NFAWXSAZSA-N 1 3 234.387 3.162 20 0 BGADHO CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(C)cc1 ZINC000422764470 387664780 /nfs/dbraw/zinc/66/47/80/387664780.db2.gz PRVWHEPGMFLYQO-YDHLFZDLSA-N 1 3 234.387 3.162 20 0 BGADHO CCCC1CCC([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000422765692 387665951 /nfs/dbraw/zinc/66/59/51/387665951.db2.gz QPCBQQBLVVOAFY-FEPKRQSRSA-N 1 3 226.408 3.061 20 0 BGADHO CCCC1CCC([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000422765700 387665650 /nfs/dbraw/zinc/66/56/50/387665650.db2.gz QPCBQQBLVVOAFY-IWMBGFJWSA-N 1 3 226.408 3.061 20 0 BGADHO CCCC1CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000422765701 387666414 /nfs/dbraw/zinc/66/64/14/387666414.db2.gz QPCBQQBLVVOAFY-KBHBFKLGSA-N 1 3 226.408 3.061 20 0 BGADHO CCCC1CCC([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000422765703 387665141 /nfs/dbraw/zinc/66/51/41/387665141.db2.gz QPCBQQBLVVOAFY-MRFVTOPCSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000422768653 387668181 /nfs/dbraw/zinc/66/81/81/387668181.db2.gz ZLPRTPRRFMHGSW-HZSPNIEDSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000422768654 387668470 /nfs/dbraw/zinc/66/84/70/387668470.db2.gz ZLPRTPRRFMHGSW-MCIONIFRSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000422768655 387667929 /nfs/dbraw/zinc/66/79/29/387667929.db2.gz ZLPRTPRRFMHGSW-MGPQQGTHSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000422768656 387668998 /nfs/dbraw/zinc/66/89/98/387668998.db2.gz ZLPRTPRRFMHGSW-RDBSUJKOSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000422776844 387675659 /nfs/dbraw/zinc/67/56/59/387675659.db2.gz DRGJQAUTWSLIPX-CHWSQXEVSA-N 1 3 248.414 3.200 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000422776849 387674278 /nfs/dbraw/zinc/67/42/78/387674278.db2.gz DRGJQAUTWSLIPX-OLZOCXBDSA-N 1 3 248.414 3.200 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(C(C)(C)C)cc1 ZINC000422776850 387675651 /nfs/dbraw/zinc/67/56/51/387675651.db2.gz DRGJQAUTWSLIPX-QWHCGFSZSA-N 1 3 248.414 3.200 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000422776851 387676003 /nfs/dbraw/zinc/67/60/03/387676003.db2.gz DRGJQAUTWSLIPX-STQMWFEESA-N 1 3 248.414 3.200 20 0 BGADHO CC(C)[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422778911 387679263 /nfs/dbraw/zinc/67/92/63/387679263.db2.gz FHADMGVVKZEADV-GUTXKFCHSA-N 1 3 234.387 3.099 20 0 BGADHO CC(C)[C@@H](N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422778912 387677931 /nfs/dbraw/zinc/67/79/31/387677931.db2.gz FHADMGVVKZEADV-GZBFAFLISA-N 1 3 234.387 3.099 20 0 BGADHO CC(C)[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422778913 387677374 /nfs/dbraw/zinc/67/73/74/387677374.db2.gz FHADMGVVKZEADV-KCQAQPDRSA-N 1 3 234.387 3.099 20 0 BGADHO CC(C)[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422778914 387676979 /nfs/dbraw/zinc/67/69/79/387676979.db2.gz FHADMGVVKZEADV-YDHLFZDLSA-N 1 3 234.387 3.099 20 0 BGADHO CC[C@H]([NH2+]C1CCC(C)(C)CC1)[C@@H]1CCCN1 ZINC000422787534 387687329 /nfs/dbraw/zinc/68/73/29/387687329.db2.gz RLUOXHHXICDFMM-KBPBESRZSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](NC1CCC(C)(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422787534 387687325 /nfs/dbraw/zinc/68/73/25/387687325.db2.gz RLUOXHHXICDFMM-KBPBESRZSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@@H]1CCCN1 ZINC000422787535 387685675 /nfs/dbraw/zinc/68/56/75/387685675.db2.gz RLUOXHHXICDFMM-KGLIPLIRSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H](NC1CCC(C)(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422787535 387685671 /nfs/dbraw/zinc/68/56/71/387685671.db2.gz RLUOXHHXICDFMM-KGLIPLIRSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)c1ccccc1 ZINC000422788541 387653197 /nfs/dbraw/zinc/65/31/97/387653197.db2.gz VNLODQCFOHODAG-BMFZPTHFSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000422788541 387653191 /nfs/dbraw/zinc/65/31/91/387653191.db2.gz VNLODQCFOHODAG-BMFZPTHFSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)c1ccccc1 ZINC000422788542 387652777 /nfs/dbraw/zinc/65/27/77/387652777.db2.gz VNLODQCFOHODAG-BPUTZDHNSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000422788542 387652774 /nfs/dbraw/zinc/65/27/74/387652774.db2.gz VNLODQCFOHODAG-BPUTZDHNSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)c1ccccc1 ZINC000422788543 387653961 /nfs/dbraw/zinc/65/39/61/387653961.db2.gz VNLODQCFOHODAG-IMJJTQAJSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000422788543 387653955 /nfs/dbraw/zinc/65/39/55/387653955.db2.gz VNLODQCFOHODAG-IMJJTQAJSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)c1ccccc1 ZINC000422788544 387652994 /nfs/dbraw/zinc/65/29/94/387652994.db2.gz VNLODQCFOHODAG-KBMXLJTQSA-N 1 3 246.398 3.115 20 0 BGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000422788544 387652992 /nfs/dbraw/zinc/65/29/92/387652992.db2.gz VNLODQCFOHODAG-KBMXLJTQSA-N 1 3 246.398 3.115 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000422792379 387693411 /nfs/dbraw/zinc/69/34/11/387693411.db2.gz DQUNICMXQOFMBZ-BTFPBAQTSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000422792380 387693253 /nfs/dbraw/zinc/69/32/53/387693253.db2.gz DQUNICMXQOFMBZ-SBJFKYEJSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000422792381 387694501 /nfs/dbraw/zinc/69/45/01/387694501.db2.gz DQUNICMXQOFMBZ-VQJWOFKYSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000422792382 387694180 /nfs/dbraw/zinc/69/41/80/387694180.db2.gz DQUNICMXQOFMBZ-YYFQZIEXSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCC1CCCC1 ZINC000422795776 387695262 /nfs/dbraw/zinc/69/52/62/387695262.db2.gz IBVWAOVVPHRQPR-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCC1CCCC1 ZINC000422795778 387696420 /nfs/dbraw/zinc/69/64/20/387696420.db2.gz IBVWAOVVPHRQPR-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CCCCC1CCCC1 ZINC000422795780 387695686 /nfs/dbraw/zinc/69/56/86/387695686.db2.gz IBVWAOVVPHRQPR-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CCCCC1CCCC1 ZINC000422795781 387695393 /nfs/dbraw/zinc/69/53/93/387695393.db2.gz IBVWAOVVPHRQPR-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000422799635 387699837 /nfs/dbraw/zinc/69/98/37/387699837.db2.gz XTXXOIHNWOHZFW-CABCVRRESA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000422799636 387700114 /nfs/dbraw/zinc/70/01/14/387700114.db2.gz XTXXOIHNWOHZFW-GJZGRUSLSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000422799637 387700411 /nfs/dbraw/zinc/70/04/11/387700411.db2.gz XTXXOIHNWOHZFW-HUUCEWRRSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000422799638 387699515 /nfs/dbraw/zinc/69/95/15/387699515.db2.gz XTXXOIHNWOHZFW-LSDHHAIUSA-N 1 3 238.419 3.064 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000422803328 387702268 /nfs/dbraw/zinc/70/22/68/387702268.db2.gz CQMKJIZQKZQPRG-FQUUOJAGSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000422803329 387703558 /nfs/dbraw/zinc/70/35/58/387703558.db2.gz CQMKJIZQKZQPRG-IGQOVBAYSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000422803330 387703514 /nfs/dbraw/zinc/70/35/14/387703514.db2.gz CQMKJIZQKZQPRG-XDQVBPFNSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000422803331 387702322 /nfs/dbraw/zinc/70/23/22/387702322.db2.gz CQMKJIZQKZQPRG-XUXIUFHCSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)[C@H](C[NH2+][C@@H](C)C[C@H](C)N)c1ccccc1 ZINC000422805420 387706211 /nfs/dbraw/zinc/70/62/11/387706211.db2.gz GSBVAOGEYASCOZ-DZKIICNBSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@H](C[NH2+][C@H](C)C[C@H](C)N)c1ccccc1 ZINC000422805421 387706465 /nfs/dbraw/zinc/70/64/65/387706465.db2.gz GSBVAOGEYASCOZ-LZWOXQAQSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)c1ccccc1 ZINC000422805422 387705799 /nfs/dbraw/zinc/70/57/99/387705799.db2.gz GSBVAOGEYASCOZ-OFQRWUPVSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@@H](C[NH2+][C@H](C)C[C@H](C)N)c1ccccc1 ZINC000422805423 387705287 /nfs/dbraw/zinc/70/52/87/387705287.db2.gz GSBVAOGEYASCOZ-SQWLQELKSA-N 1 3 248.414 3.142 20 0 BGADHO Cc1cc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])c(C)s1 ZINC000422806387 387706627 /nfs/dbraw/zinc/70/66/27/387706627.db2.gz KNZSOKZJCUKIET-KKZNHRDASA-N 1 3 240.416 3.141 20 0 BGADHO Cc1cc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])c(C)s1 ZINC000422806392 387705569 /nfs/dbraw/zinc/70/55/69/387705569.db2.gz KNZSOKZJCUKIET-NGZCFLSTSA-N 1 3 240.416 3.141 20 0 BGADHO Cc1cc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])c(C)s1 ZINC000422806393 387706440 /nfs/dbraw/zinc/70/64/40/387706440.db2.gz KNZSOKZJCUKIET-QXEWZRGKSA-N 1 3 240.416 3.141 20 0 BGADHO Cc1cc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])c(C)s1 ZINC000422806395 387706090 /nfs/dbraw/zinc/70/60/90/387706090.db2.gz KNZSOKZJCUKIET-YWVKMMECSA-N 1 3 240.416 3.141 20 0 BGADHO Cc1ccc([C@H](N[C@H](C)C[C@@H](C)[NH3+])C2CC2)cc1 ZINC000422807252 387706377 /nfs/dbraw/zinc/70/63/77/387706377.db2.gz JORVIISXMDZNDM-IOASZLSFSA-N 1 3 246.398 3.162 20 0 BGADHO Cc1ccc([C@H](N[C@@H](C)C[C@@H](C)[NH3+])C2CC2)cc1 ZINC000422807253 387705389 /nfs/dbraw/zinc/70/53/89/387705389.db2.gz JORVIISXMDZNDM-WWGRRREGSA-N 1 3 246.398 3.162 20 0 BGADHO Cc1ccc([C@H](N[C@@H](C)C[C@H](C)[NH3+])C2CC2)cc1 ZINC000422807254 387706587 /nfs/dbraw/zinc/70/65/87/387706587.db2.gz JORVIISXMDZNDM-XEZPLFJOSA-N 1 3 246.398 3.162 20 0 BGADHO Cc1ccc([C@H](N[C@H](C)C[C@H](C)[NH3+])C2CC2)cc1 ZINC000422807255 387704648 /nfs/dbraw/zinc/70/46/48/387704648.db2.gz JORVIISXMDZNDM-ZENOOKHLSA-N 1 3 246.398 3.162 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000422825247 387721093 /nfs/dbraw/zinc/72/10/93/387721093.db2.gz POBIUICGVWNZLP-FQUUOJAGSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)[C@@H](C)C1CCCCC1 ZINC000422825248 387719627 /nfs/dbraw/zinc/71/96/27/387719627.db2.gz POBIUICGVWNZLP-IGQOVBAYSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)[C@H](C)C1CCCCC1 ZINC000422825249 192481723 /nfs/dbraw/zinc/48/17/23/192481723.db2.gz POBIUICGVWNZLP-XDQVBPFNSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@@H]([C@H](C)[NH2+][C@@H](C)C[C@H](C)N)C1CCCCC1 ZINC000422825250 387720870 /nfs/dbraw/zinc/72/08/70/387720870.db2.gz POBIUICGVWNZLP-XUXIUFHCSA-N 1 3 240.435 3.307 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H](C)C[C@@H](C)N ZINC000422831334 387723747 /nfs/dbraw/zinc/72/37/47/387723747.db2.gz DTDWUZDUUJIQTP-AGIUHOORSA-N 1 3 214.397 3.061 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H](C)C[C@H](C)N ZINC000422831335 387721753 /nfs/dbraw/zinc/72/17/53/387721753.db2.gz DTDWUZDUUJIQTP-AVGNSLFASA-N 1 3 214.397 3.061 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H](C)C[C@@H](C)N ZINC000422831336 387722680 /nfs/dbraw/zinc/72/26/80/387722680.db2.gz DTDWUZDUUJIQTP-UPJWGTAASA-N 1 3 214.397 3.061 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H](C)C[C@H](C)N ZINC000422831337 387725009 /nfs/dbraw/zinc/72/50/09/387725009.db2.gz DTDWUZDUUJIQTP-XQQFMLRXSA-N 1 3 214.397 3.061 20 0 BGADHO CCCC[C@@H](CCC)[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000422833382 387725713 /nfs/dbraw/zinc/72/57/13/387725713.db2.gz GQCAHHNKDFIQTG-BFHYXJOUSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@@H](CCC)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422833382 387725710 /nfs/dbraw/zinc/72/57/10/387725710.db2.gz GQCAHHNKDFIQTG-BFHYXJOUSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@@H](CCC)[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000422833383 387725277 /nfs/dbraw/zinc/72/52/77/387725277.db2.gz GQCAHHNKDFIQTG-MCIONIFRSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@@H](CCC)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422833383 387725268 /nfs/dbraw/zinc/72/52/68/387725268.db2.gz GQCAHHNKDFIQTG-MCIONIFRSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@@H](CCC)[NH2+][C@H](C)[C@H]1CCCN1 ZINC000422833384 387726415 /nfs/dbraw/zinc/72/64/15/387726415.db2.gz GQCAHHNKDFIQTG-MGPQQGTHSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@@H](CCC)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422833384 387726411 /nfs/dbraw/zinc/72/64/11/387726411.db2.gz GQCAHHNKDFIQTG-MGPQQGTHSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@@H](CCC)[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000422833385 387726332 /nfs/dbraw/zinc/72/63/32/387726332.db2.gz GQCAHHNKDFIQTG-MJBXVCDLSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@@H](CCC)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422833385 387726330 /nfs/dbraw/zinc/72/63/30/387726330.db2.gz GQCAHHNKDFIQTG-MJBXVCDLSA-N 1 3 226.408 3.075 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](c1ccccc1)C(C)(C)C ZINC000422834269 387726899 /nfs/dbraw/zinc/72/68/99/387726899.db2.gz NPRKABVAKZOSAK-GUTXKFCHSA-N 1 3 248.414 3.489 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](c1ccccc1)C(C)(C)C ZINC000422834270 387724734 /nfs/dbraw/zinc/72/47/34/387724734.db2.gz NPRKABVAKZOSAK-GZBFAFLISA-N 1 3 248.414 3.489 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@H](c1ccccc1)C(C)(C)C ZINC000422834271 387725526 /nfs/dbraw/zinc/72/55/26/387725526.db2.gz NPRKABVAKZOSAK-KCQAQPDRSA-N 1 3 248.414 3.489 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](c1ccccc1)C(C)(C)C ZINC000422834272 387726438 /nfs/dbraw/zinc/72/64/38/387726438.db2.gz NPRKABVAKZOSAK-YDHLFZDLSA-N 1 3 248.414 3.489 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCC1CCCCC1 ZINC000422852282 387738340 /nfs/dbraw/zinc/73/83/40/387738340.db2.gz XVVSHLUYIAZQBA-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCC1CCCCC1 ZINC000422852284 387738731 /nfs/dbraw/zinc/73/87/31/387738731.db2.gz XVVSHLUYIAZQBA-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CCCC1CCCCC1 ZINC000422852285 387737138 /nfs/dbraw/zinc/73/71/38/387737138.db2.gz XVVSHLUYIAZQBA-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CCCC1CCCCC1 ZINC000422852287 387738798 /nfs/dbraw/zinc/73/87/98/387738798.db2.gz XVVSHLUYIAZQBA-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@H](CCC)C[NH2+][C@@H](C)C[C@H](C)N ZINC000422858966 387741588 /nfs/dbraw/zinc/74/15/88/387741588.db2.gz GWOFOEUCRACQDP-IHRRRGAJSA-N 1 3 228.424 3.308 20 0 BGADHO CCCC[C@H](CCC)C[NH2+][C@H](C)C[C@@H](C)N ZINC000422858967 387740974 /nfs/dbraw/zinc/74/09/74/387740974.db2.gz GWOFOEUCRACQDP-MCIONIFRSA-N 1 3 228.424 3.308 20 0 BGADHO CCCC[C@H](CCC)C[NH2+][C@H](C)C[C@H](C)N ZINC000422858968 387741518 /nfs/dbraw/zinc/74/15/18/387741518.db2.gz GWOFOEUCRACQDP-MJBXVCDLSA-N 1 3 228.424 3.308 20 0 BGADHO CCCC[C@H](CCC)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000422858969 387740346 /nfs/dbraw/zinc/74/03/46/387740346.db2.gz GWOFOEUCRACQDP-RDBSUJKOSA-N 1 3 228.424 3.308 20 0 BGADHO CC(C)CC1(C[NH2+][C@@H](C)C[C@H](C)N)CCCC1 ZINC000422871514 387749296 /nfs/dbraw/zinc/74/92/96/387749296.db2.gz ZAEBUTOYHJJSIN-KBPBESRZSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)CC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCCC1 ZINC000422871515 387750999 /nfs/dbraw/zinc/75/09/99/387750999.db2.gz ZAEBUTOYHJJSIN-KGLIPLIRSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)CC1(C[NH2+][C@H](C)C[C@H](C)N)CCCC1 ZINC000422871517 387749749 /nfs/dbraw/zinc/74/97/49/387749749.db2.gz ZAEBUTOYHJJSIN-UONOGXRCSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)CC1(C[NH2+][C@H](C)C[C@@H](C)N)CCCC1 ZINC000422871519 387748530 /nfs/dbraw/zinc/74/85/30/387748530.db2.gz ZAEBUTOYHJJSIN-ZIAGYGMSSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)c1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422882585 387758617 /nfs/dbraw/zinc/75/86/17/387758617.db2.gz SQWIIGXJFDVDLX-CHWSQXEVSA-N 1 3 234.387 3.025 20 0 BGADHO CC(C)c1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422882598 387758508 /nfs/dbraw/zinc/75/85/08/387758508.db2.gz SQWIIGXJFDVDLX-OLZOCXBDSA-N 1 3 234.387 3.025 20 0 BGADHO CC(C)c1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422882600 387758035 /nfs/dbraw/zinc/75/80/35/387758035.db2.gz SQWIIGXJFDVDLX-QWHCGFSZSA-N 1 3 234.387 3.025 20 0 BGADHO CC(C)c1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422882603 387758514 /nfs/dbraw/zinc/75/85/14/387758514.db2.gz SQWIIGXJFDVDLX-STQMWFEESA-N 1 3 234.387 3.025 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422892470 387763050 /nfs/dbraw/zinc/76/30/50/387763050.db2.gz YSSMJMAKAITHHA-IHRRRGAJSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422892471 387764213 /nfs/dbraw/zinc/76/42/13/387764213.db2.gz YSSMJMAKAITHHA-MCIONIFRSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422892472 387764133 /nfs/dbraw/zinc/76/41/33/387764133.db2.gz YSSMJMAKAITHHA-MJBXVCDLSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422892473 387764336 /nfs/dbraw/zinc/76/43/36/387764336.db2.gz YSSMJMAKAITHHA-RDBSUJKOSA-N 1 3 234.387 3.080 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cc2ccccc2s1 ZINC000422900066 192513375 /nfs/dbraw/zinc/51/33/75/192513375.db2.gz ITXIAFBVPNCREZ-GHMZBOCLSA-N 1 3 248.395 3.117 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cc2ccccc2s1 ZINC000422900068 387786178 /nfs/dbraw/zinc/78/61/78/387786178.db2.gz ITXIAFBVPNCREZ-MNOVXSKESA-N 1 3 248.395 3.117 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)NCc1cc2ccccc2s1 ZINC000422900070 387785629 /nfs/dbraw/zinc/78/56/29/387785629.db2.gz ITXIAFBVPNCREZ-QWRGUYRKSA-N 1 3 248.395 3.117 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])NCc1cc2ccccc2s1 ZINC000422900072 387786462 /nfs/dbraw/zinc/78/64/62/387786462.db2.gz ITXIAFBVPNCREZ-WDEREUQCSA-N 1 3 248.395 3.117 20 0 BGADHO CC(C)CC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422918852 387776214 /nfs/dbraw/zinc/77/62/14/387776214.db2.gz INMQYFALGABRFP-KBPBESRZSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)CC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422918853 387775062 /nfs/dbraw/zinc/77/50/62/387775062.db2.gz INMQYFALGABRFP-KGLIPLIRSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)CC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422918854 387776094 /nfs/dbraw/zinc/77/60/94/387776094.db2.gz INMQYFALGABRFP-UONOGXRCSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)CC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422918855 387775744 /nfs/dbraw/zinc/77/57/44/387775744.db2.gz INMQYFALGABRFP-ZIAGYGMSSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2ccccc21 ZINC000422924435 387777963 /nfs/dbraw/zinc/77/79/63/387777963.db2.gz YJUOBKSDVGOEME-CHWSQXEVSA-N 1 3 242.366 3.055 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2ccccc21 ZINC000422924436 387776875 /nfs/dbraw/zinc/77/68/75/387776875.db2.gz YJUOBKSDVGOEME-OLZOCXBDSA-N 1 3 242.366 3.055 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2ccccc21 ZINC000422924437 192508953 /nfs/dbraw/zinc/50/89/53/192508953.db2.gz YJUOBKSDVGOEME-QWHCGFSZSA-N 1 3 242.366 3.055 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2ccccc21 ZINC000422924438 387777566 /nfs/dbraw/zinc/77/75/66/387777566.db2.gz YJUOBKSDVGOEME-STQMWFEESA-N 1 3 242.366 3.055 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422929262 192509585 /nfs/dbraw/zinc/50/95/85/192509585.db2.gz OZHKPQXHHLGFMN-KBPBESRZSA-N 1 3 240.435 3.181 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422929263 387780946 /nfs/dbraw/zinc/78/09/46/387780946.db2.gz OZHKPQXHHLGFMN-KGLIPLIRSA-N 1 3 240.435 3.181 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422929264 387781964 /nfs/dbraw/zinc/78/19/64/387781964.db2.gz OZHKPQXHHLGFMN-UONOGXRCSA-N 1 3 240.435 3.181 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422929265 387780668 /nfs/dbraw/zinc/78/06/68/387780668.db2.gz OZHKPQXHHLGFMN-ZIAGYGMSSA-N 1 3 240.435 3.181 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H](C)C[C@@H](C)N ZINC000422941772 398159843 /nfs/dbraw/zinc/15/98/43/398159843.db2.gz IKQUBJKMXGYZTI-CHWSQXEVSA-N 1 3 228.424 3.163 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H](C)C[C@@H](C)N ZINC000422941773 398159703 /nfs/dbraw/zinc/15/97/03/398159703.db2.gz IKQUBJKMXGYZTI-OLZOCXBDSA-N 1 3 228.424 3.163 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H](C)C[C@H](C)N ZINC000422941774 398159819 /nfs/dbraw/zinc/15/98/19/398159819.db2.gz IKQUBJKMXGYZTI-QWHCGFSZSA-N 1 3 228.424 3.163 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H](C)C[C@H](C)N ZINC000422941775 398159383 /nfs/dbraw/zinc/15/93/83/398159383.db2.gz IKQUBJKMXGYZTI-STQMWFEESA-N 1 3 228.424 3.163 20 0 BGADHO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422945639 387785668 /nfs/dbraw/zinc/78/56/68/387785668.db2.gz NOAJZSGAJMENPE-AAEUAGOBSA-N 1 3 249.402 3.078 20 0 BGADHO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422945640 387785303 /nfs/dbraw/zinc/78/53/03/387785303.db2.gz NOAJZSGAJMENPE-DGCLKSJQSA-N 1 3 249.402 3.078 20 0 BGADHO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422945641 387785875 /nfs/dbraw/zinc/78/58/75/387785875.db2.gz NOAJZSGAJMENPE-WCQYABFASA-N 1 3 249.402 3.078 20 0 BGADHO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422945642 192513823 /nfs/dbraw/zinc/51/38/23/192513823.db2.gz NOAJZSGAJMENPE-YPMHNXCESA-N 1 3 249.402 3.078 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCCNCC1 ZINC000422947701 387785472 /nfs/dbraw/zinc/78/54/72/387785472.db2.gz QZIXMYHIRBEJMP-AWEZNQCLSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCCNCC1 ZINC000422947702 387786096 /nfs/dbraw/zinc/78/60/96/387786096.db2.gz QZIXMYHIRBEJMP-CQSZACIVSA-N 1 3 240.435 3.179 20 0 BGADHO CCCCC1CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000422951346 387807877 /nfs/dbraw/zinc/80/78/77/387807877.db2.gz YEUYROSEUBEGQH-DNDYEEKYSA-N 1 3 240.435 3.451 20 0 BGADHO CCCCC1CCC([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000422951347 387807410 /nfs/dbraw/zinc/80/74/10/387807410.db2.gz YEUYROSEUBEGQH-HESLUPGFSA-N 1 3 240.435 3.451 20 0 BGADHO CCCCC1CCC([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000422951348 387807836 /nfs/dbraw/zinc/80/78/36/387807836.db2.gz YEUYROSEUBEGQH-LMRVLLHPSA-N 1 3 240.435 3.451 20 0 BGADHO CCCCC1CCC([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000422951349 192525344 /nfs/dbraw/zinc/52/53/44/192525344.db2.gz YEUYROSEUBEGQH-ZUJMUWTESA-N 1 3 240.435 3.451 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000422967704 192530589 /nfs/dbraw/zinc/53/05/89/192530589.db2.gz PLRGHSVPTCLZEF-BFJAYTPKSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000422967717 387817334 /nfs/dbraw/zinc/81/73/34/387817334.db2.gz PLRGHSVPTCLZEF-LQKXBSAESA-N 1 3 246.398 3.038 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000422967719 387817432 /nfs/dbraw/zinc/81/74/32/387817432.db2.gz PLRGHSVPTCLZEF-LUYZLQTOSA-N 1 3 246.398 3.038 20 0 BGADHO CC(C)C1CCC(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000422987632 387797857 /nfs/dbraw/zinc/79/78/57/387797857.db2.gz GYZCVQHPLWZSMC-DNDYEEKYSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)C1CCC(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000422987633 387798143 /nfs/dbraw/zinc/79/81/43/387798143.db2.gz GYZCVQHPLWZSMC-HESLUPGFSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)C1CCC(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000422987634 387798155 /nfs/dbraw/zinc/79/81/55/387798155.db2.gz GYZCVQHPLWZSMC-LMRVLLHPSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)C1CCC(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000422987635 387798087 /nfs/dbraw/zinc/79/80/87/387798087.db2.gz GYZCVQHPLWZSMC-ZUJMUWTESA-N 1 3 240.435 3.164 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC(C)(C)c2ccccc21 ZINC000422993655 387803268 /nfs/dbraw/zinc/80/32/68/387803268.db2.gz SZWJPGXHJPILAA-HUBLWGQQSA-N 1 3 246.398 3.124 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000422993656 387802828 /nfs/dbraw/zinc/80/28/28/387802828.db2.gz SZWJPGXHJPILAA-SLEUVZQESA-N 1 3 246.398 3.124 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC(C)(C)c2ccccc21 ZINC000422993657 387803213 /nfs/dbraw/zinc/80/32/13/387803213.db2.gz SZWJPGXHJPILAA-YWPYICTPSA-N 1 3 246.398 3.124 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CC(C)(C)c2ccccc21 ZINC000422993658 387803536 /nfs/dbraw/zinc/80/35/36/387803536.db2.gz SZWJPGXHJPILAA-ZOWXZIJZSA-N 1 3 246.398 3.124 20 0 BGADHO CC1(C[NH2+][C@H]2CCC[C@H]2CN)CCCCCC1 ZINC000423021292 398162741 /nfs/dbraw/zinc/16/27/41/398162741.db2.gz BPHYRKAVRCXOAP-KBPBESRZSA-N 1 3 238.419 3.064 20 0 BGADHO CC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCCCCC1 ZINC000423021294 398162530 /nfs/dbraw/zinc/16/25/30/398162530.db2.gz BPHYRKAVRCXOAP-KGLIPLIRSA-N 1 3 238.419 3.064 20 0 BGADHO CC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCCCC1 ZINC000423021296 398162647 /nfs/dbraw/zinc/16/26/47/398162647.db2.gz BPHYRKAVRCXOAP-UONOGXRCSA-N 1 3 238.419 3.064 20 0 BGADHO CC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCCCC1 ZINC000423021298 398161929 /nfs/dbraw/zinc/16/19/29/398161929.db2.gz BPHYRKAVRCXOAP-ZIAGYGMSSA-N 1 3 238.419 3.064 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(C)CCCCCC1 ZINC000423024656 387843606 /nfs/dbraw/zinc/84/36/06/387843606.db2.gz JWHPFQWEPOPJSI-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(C)CCCCCC1 ZINC000423024657 387844717 /nfs/dbraw/zinc/84/47/17/387844717.db2.gz JWHPFQWEPOPJSI-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(C)CCCCCC1 ZINC000423024658 387843282 /nfs/dbraw/zinc/84/32/82/387843282.db2.gz JWHPFQWEPOPJSI-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(C)CCCCCC1 ZINC000423024659 387844254 /nfs/dbraw/zinc/84/42/54/387844254.db2.gz JWHPFQWEPOPJSI-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000423027948 387842778 /nfs/dbraw/zinc/84/27/78/387842778.db2.gz SAKKDKUBBSFSAA-DVZHBHJUSA-N 1 3 246.398 3.025 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2ccccc2CC[C@H]1C ZINC000423027949 192545286 /nfs/dbraw/zinc/54/52/86/192545286.db2.gz SAKKDKUBBSFSAA-LMOYCYGVSA-N 1 3 246.398 3.025 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000423027950 387842910 /nfs/dbraw/zinc/84/29/10/387842910.db2.gz SAKKDKUBBSFSAA-QCQGSNGOSA-N 1 3 246.398 3.025 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000423027951 387843668 /nfs/dbraw/zinc/84/36/68/387843668.db2.gz SAKKDKUBBSFSAA-WFGGJUAMSA-N 1 3 246.398 3.025 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000423029725 387846474 /nfs/dbraw/zinc/84/64/74/387846474.db2.gz VGBXQLFTVALIJB-CHWSQXEVSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000423029726 387846294 /nfs/dbraw/zinc/84/62/94/387846294.db2.gz VGBXQLFTVALIJB-OLZOCXBDSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)C1CCCCC1 ZINC000423029727 387846192 /nfs/dbraw/zinc/84/61/92/387846192.db2.gz VGBXQLFTVALIJB-QWHCGFSZSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000423029728 387846989 /nfs/dbraw/zinc/84/69/89/387846989.db2.gz VGBXQLFTVALIJB-STQMWFEESA-N 1 3 240.435 3.308 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423032510 387849216 /nfs/dbraw/zinc/84/92/16/387849216.db2.gz FODIREDAZFFSPU-IHRRRGAJSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423032512 387849308 /nfs/dbraw/zinc/84/93/08/387849308.db2.gz FODIREDAZFFSPU-MCIONIFRSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423032514 387849174 /nfs/dbraw/zinc/84/91/74/387849174.db2.gz FODIREDAZFFSPU-MJBXVCDLSA-N 1 3 234.387 3.080 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423032516 387849573 /nfs/dbraw/zinc/84/95/73/387849573.db2.gz FODIREDAZFFSPU-RDBSUJKOSA-N 1 3 234.387 3.080 20 0 BGADHO CCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCCCC1 ZINC000423041457 192549013 /nfs/dbraw/zinc/54/90/13/192549013.db2.gz XHWAWYRKTAQNEE-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO CCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCCCC1 ZINC000423041458 387855745 /nfs/dbraw/zinc/85/57/45/387855745.db2.gz XHWAWYRKTAQNEE-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO CCC1(C[NH2+][C@H](C)C[C@H](C)N)CCCCC1 ZINC000423041459 387854703 /nfs/dbraw/zinc/85/47/03/387854703.db2.gz XHWAWYRKTAQNEE-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO CCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCCCC1 ZINC000423041460 387854723 /nfs/dbraw/zinc/85/47/23/387854723.db2.gz XHWAWYRKTAQNEE-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423048584 387857068 /nfs/dbraw/zinc/85/70/68/387857068.db2.gz ISQNLSONJMMBAZ-AJNGGQMLSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423048585 387857335 /nfs/dbraw/zinc/85/73/35/387857335.db2.gz ISQNLSONJMMBAZ-BYNSBNAKSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423048586 387856679 /nfs/dbraw/zinc/85/66/79/387856679.db2.gz ISQNLSONJMMBAZ-XQLPTFJDSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423048587 387858350 /nfs/dbraw/zinc/85/83/50/387858350.db2.gz ISQNLSONJMMBAZ-ZQDZILKHSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000423049050 387858674 /nfs/dbraw/zinc/85/86/74/387858674.db2.gz XHSOGDANMXBAKG-NEPJUHHUSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000423049051 387857939 /nfs/dbraw/zinc/85/79/39/387857939.db2.gz XHSOGDANMXBAKG-NWDGAFQWSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000423049052 387858478 /nfs/dbraw/zinc/85/84/78/387858478.db2.gz XHSOGDANMXBAKG-RYUDHWBXSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000423049053 387857721 /nfs/dbraw/zinc/85/77/21/387857721.db2.gz XHSOGDANMXBAKG-VXGBXAGGSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)c1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423049609 387856929 /nfs/dbraw/zinc/85/69/29/387856929.db2.gz JYFLMUKBYNKKSC-CVEARBPZSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)c1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423049610 387856644 /nfs/dbraw/zinc/85/66/44/387856644.db2.gz JYFLMUKBYNKKSC-HOTGVXAUSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)c1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423049611 387857728 /nfs/dbraw/zinc/85/77/28/387857728.db2.gz JYFLMUKBYNKKSC-HZPDHXFCSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)c1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423049612 387858175 /nfs/dbraw/zinc/85/81/75/387858175.db2.gz JYFLMUKBYNKKSC-JKSUJKDBSA-N 1 3 246.398 3.027 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423050497 387859512 /nfs/dbraw/zinc/85/95/12/387859512.db2.gz LMVBGAZFYVTONW-CHWSQXEVSA-N 1 3 238.419 3.228 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423050498 387861045 /nfs/dbraw/zinc/86/10/45/387861045.db2.gz LMVBGAZFYVTONW-OLZOCXBDSA-N 1 3 238.419 3.228 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423050499 387859877 /nfs/dbraw/zinc/85/98/77/387859877.db2.gz LMVBGAZFYVTONW-QWHCGFSZSA-N 1 3 238.419 3.228 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423050500 387861001 /nfs/dbraw/zinc/86/10/01/387861001.db2.gz LMVBGAZFYVTONW-STQMWFEESA-N 1 3 238.419 3.228 20 0 BGADHO C1=C(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000423051616 387859570 /nfs/dbraw/zinc/85/95/70/387859570.db2.gz OXAGIRJKFCUYJB-XYPWUTKMSA-N 1 3 248.414 3.140 20 0 BGADHO CC(C)c1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423052252 192553647 /nfs/dbraw/zinc/55/36/47/192553647.db2.gz PJDPYVJQHZKCBN-CHWSQXEVSA-N 1 3 234.387 3.025 20 0 BGADHO CC(C)c1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423052253 387860677 /nfs/dbraw/zinc/86/06/77/387860677.db2.gz PJDPYVJQHZKCBN-OLZOCXBDSA-N 1 3 234.387 3.025 20 0 BGADHO CC(C)c1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000423052254 192553662 /nfs/dbraw/zinc/55/36/62/192553662.db2.gz PJDPYVJQHZKCBN-QWHCGFSZSA-N 1 3 234.387 3.025 20 0 BGADHO CC(C)c1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423052255 387860764 /nfs/dbraw/zinc/86/07/64/387860764.db2.gz PJDPYVJQHZKCBN-STQMWFEESA-N 1 3 234.387 3.025 20 0 BGADHO CCC1(C[NH2+][C@H]2CCC[C@H]2CN)CCCCC1 ZINC000423056823 387863110 /nfs/dbraw/zinc/86/31/10/387863110.db2.gz YSVTXFLDBPRCOW-KBPBESRZSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCCCC1 ZINC000423056824 387863313 /nfs/dbraw/zinc/86/33/13/387863313.db2.gz YSVTXFLDBPRCOW-KGLIPLIRSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCCC1 ZINC000423056825 387862243 /nfs/dbraw/zinc/86/22/43/387862243.db2.gz YSVTXFLDBPRCOW-UONOGXRCSA-N 1 3 238.419 3.064 20 0 BGADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCCC1 ZINC000423056826 387861736 /nfs/dbraw/zinc/86/17/36/387861736.db2.gz YSVTXFLDBPRCOW-ZIAGYGMSSA-N 1 3 238.419 3.064 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000423059289 387865347 /nfs/dbraw/zinc/86/53/47/387865347.db2.gz LNOGBIYCHHBBHF-AGIUHOORSA-N 1 3 228.424 3.164 20 0 BGADHO C[C@@H](CC[NH2+][C@@H](C)C[C@H](C)N)CC(C)(C)C ZINC000423059290 387864214 /nfs/dbraw/zinc/86/42/14/387864214.db2.gz LNOGBIYCHHBBHF-AVGNSLFASA-N 1 3 228.424 3.164 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000423059291 387864649 /nfs/dbraw/zinc/86/46/49/387864649.db2.gz LNOGBIYCHHBBHF-FRRDWIJNSA-N 1 3 228.424 3.164 20 0 BGADHO C[C@@H](CC[NH2+][C@H](C)C[C@H](C)N)CC(C)(C)C ZINC000423059292 387865883 /nfs/dbraw/zinc/86/58/83/387865883.db2.gz LNOGBIYCHHBBHF-RWMBFGLXSA-N 1 3 228.424 3.164 20 0 BGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1CN)CC(C)(C)C ZINC000423063151 387867926 /nfs/dbraw/zinc/86/79/26/387867926.db2.gz VTAKVBRPEWJAGB-HZSPNIEDSA-N 1 3 240.435 3.166 20 0 BGADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H]1CN)CC(C)(C)C ZINC000423063152 387867770 /nfs/dbraw/zinc/86/77/70/387867770.db2.gz VTAKVBRPEWJAGB-MCIONIFRSA-N 1 3 240.435 3.166 20 0 BGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CN)CC(C)(C)C ZINC000423063153 387866717 /nfs/dbraw/zinc/86/67/17/387866717.db2.gz VTAKVBRPEWJAGB-MGPQQGTHSA-N 1 3 240.435 3.166 20 0 BGADHO C[C@H](CC[NH2+][C@H]1CCC[C@H]1CN)CC(C)(C)C ZINC000423063154 387867781 /nfs/dbraw/zinc/86/77/81/387867781.db2.gz VTAKVBRPEWJAGB-RDBSUJKOSA-N 1 3 240.435 3.166 20 0 BGADHO CCC1(CC)CCC([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000423073168 387874545 /nfs/dbraw/zinc/87/45/45/387874545.db2.gz QVGHTYDHSXUCHP-CHWSQXEVSA-N 1 3 240.435 3.451 20 0 BGADHO CCC1(CC)CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000423073169 387874488 /nfs/dbraw/zinc/87/44/88/387874488.db2.gz QVGHTYDHSXUCHP-OLZOCXBDSA-N 1 3 240.435 3.451 20 0 BGADHO CCC1(CC)CCC([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000423073170 387874868 /nfs/dbraw/zinc/87/48/68/387874868.db2.gz QVGHTYDHSXUCHP-QWHCGFSZSA-N 1 3 240.435 3.451 20 0 BGADHO CCC1(CC)CCC([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423073171 387873827 /nfs/dbraw/zinc/87/38/27/387873827.db2.gz QVGHTYDHSXUCHP-STQMWFEESA-N 1 3 240.435 3.451 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000423079621 387875837 /nfs/dbraw/zinc/87/58/37/387875837.db2.gz RALOCNCQHUUXCV-GMTAPVOTSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000423079623 387876092 /nfs/dbraw/zinc/87/60/92/387876092.db2.gz RALOCNCQHUUXCV-OUAUKWLOSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C2CCC2)cc1 ZINC000423083040 387877849 /nfs/dbraw/zinc/87/78/49/387877849.db2.gz YBLVPDVRWUAWAB-CHWSQXEVSA-N 1 3 246.398 3.170 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000423083042 387879424 /nfs/dbraw/zinc/87/94/24/387879424.db2.gz YBLVPDVRWUAWAB-OLZOCXBDSA-N 1 3 246.398 3.170 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(C2CCC2)cc1 ZINC000423083044 387878805 /nfs/dbraw/zinc/87/88/05/387878805.db2.gz YBLVPDVRWUAWAB-QWHCGFSZSA-N 1 3 246.398 3.170 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000423083046 387878881 /nfs/dbraw/zinc/87/88/81/387878881.db2.gz YBLVPDVRWUAWAB-STQMWFEESA-N 1 3 246.398 3.170 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000423086410 387880285 /nfs/dbraw/zinc/88/02/85/387880285.db2.gz LZBQCTVWPKUZNY-AGIUHOORSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000423086411 387881002 /nfs/dbraw/zinc/88/10/02/387881002.db2.gz LZBQCTVWPKUZNY-AVGNSLFASA-N 1 3 226.408 3.061 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+][C@H](C)CC1CCCCC1 ZINC000423086412 387880480 /nfs/dbraw/zinc/88/04/80/387880480.db2.gz LZBQCTVWPKUZNY-FRRDWIJNSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+][C@H](C)CC1CCCCC1 ZINC000423086413 387881455 /nfs/dbraw/zinc/88/14/55/387881455.db2.gz LZBQCTVWPKUZNY-JHJVBQTASA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)C[C@H](C)N ZINC000423086414 387879898 /nfs/dbraw/zinc/87/98/98/387879898.db2.gz LZBQCTVWPKUZNY-RWMBFGLXSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000423086415 387880037 /nfs/dbraw/zinc/88/00/37/387880037.db2.gz LZBQCTVWPKUZNY-UPJWGTAASA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)CC1CCCCC1 ZINC000423086416 387881729 /nfs/dbraw/zinc/88/17/29/387881729.db2.gz LZBQCTVWPKUZNY-XQQFMLRXSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@H](C)CC1CCCCC1 ZINC000423086417 387881179 /nfs/dbraw/zinc/88/11/79/387881179.db2.gz LZBQCTVWPKUZNY-YNEHKIRRSA-N 1 3 226.408 3.061 20 0 BGADHO N[C@H]1C[C@H]([NH2+]CCC2(F)CCC2)c2ccccc21 ZINC000423119371 387901717 /nfs/dbraw/zinc/90/17/17/387901717.db2.gz DRHPRCMBVVEQIY-KBPBESRZSA-N 1 3 248.345 3.003 20 0 BGADHO N[C@@H]1C[C@H]([NH2+]CCC2(F)CCC2)c2ccccc21 ZINC000423119373 387900839 /nfs/dbraw/zinc/90/08/39/387900839.db2.gz DRHPRCMBVVEQIY-KGLIPLIRSA-N 1 3 248.345 3.003 20 0 BGADHO N[C@H]1C[C@@H]([NH2+]CCC2(F)CCC2)c2ccccc21 ZINC000423119375 387900796 /nfs/dbraw/zinc/90/07/96/387900796.db2.gz DRHPRCMBVVEQIY-UONOGXRCSA-N 1 3 248.345 3.003 20 0 BGADHO N[C@@H]1C[C@@H]([NH2+]CCC2(F)CCC2)c2ccccc21 ZINC000423119377 387900234 /nfs/dbraw/zinc/90/02/34/387900234.db2.gz DRHPRCMBVVEQIY-ZIAGYGMSSA-N 1 3 248.345 3.003 20 0 BGADHO Cc1ccc2c(c1)[C@@H](N[C@H](C)C[C@@H](C)[NH3+])CCC2 ZINC000423127350 387905037 /nfs/dbraw/zinc/90/50/37/387905037.db2.gz PIJUQVSLMUMWRQ-IOASZLSFSA-N 1 3 246.398 3.088 20 0 BGADHO Cc1ccc2c(c1)[C@@H](N[C@@H](C)C[C@@H](C)[NH3+])CCC2 ZINC000423127351 387905873 /nfs/dbraw/zinc/90/58/73/387905873.db2.gz PIJUQVSLMUMWRQ-WWGRRREGSA-N 1 3 246.398 3.088 20 0 BGADHO Cc1ccc2c(c1)[C@@H](N[C@@H](C)C[C@H](C)[NH3+])CCC2 ZINC000423127352 387905700 /nfs/dbraw/zinc/90/57/00/387905700.db2.gz PIJUQVSLMUMWRQ-XEZPLFJOSA-N 1 3 246.398 3.088 20 0 BGADHO Cc1ccc2c(c1)[C@@H](N[C@H](C)C[C@H](C)[NH3+])CCC2 ZINC000423127353 387905051 /nfs/dbraw/zinc/90/50/51/387905051.db2.gz PIJUQVSLMUMWRQ-ZENOOKHLSA-N 1 3 246.398 3.088 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2sccc2c1 ZINC000423129075 387907524 /nfs/dbraw/zinc/90/75/24/387907524.db2.gz WQSYKGBAHLSHDI-GHMZBOCLSA-N 1 3 248.395 3.117 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2sccc2c1 ZINC000423129076 387906749 /nfs/dbraw/zinc/90/67/49/387906749.db2.gz WQSYKGBAHLSHDI-MNOVXSKESA-N 1 3 248.395 3.117 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2sccc2c1 ZINC000423129077 387906918 /nfs/dbraw/zinc/90/69/18/387906918.db2.gz WQSYKGBAHLSHDI-QWRGUYRKSA-N 1 3 248.395 3.117 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2sccc2c1 ZINC000423129078 387907809 /nfs/dbraw/zinc/90/78/09/387907809.db2.gz WQSYKGBAHLSHDI-WDEREUQCSA-N 1 3 248.395 3.117 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CC[C@@H](CC)CC1)[C@@H]1CCCN1 ZINC000423131848 387910469 /nfs/dbraw/zinc/91/04/69/387910469.db2.gz OOZHIPBGFJWSRW-AJNGGQMLSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](N[C@@H]1CC[C@@H](CC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423131848 387910466 /nfs/dbraw/zinc/91/04/66/387910466.db2.gz OOZHIPBGFJWSRW-AJNGGQMLSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H]([NH2+][C@@H]1CC[C@@H](CC)CC1)[C@@H]1CCCN1 ZINC000423131849 387910233 /nfs/dbraw/zinc/91/02/33/387910233.db2.gz OOZHIPBGFJWSRW-TUVASFSCSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H](N[C@@H]1CC[C@@H](CC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423131849 387910227 /nfs/dbraw/zinc/91/02/27/387910227.db2.gz OOZHIPBGFJWSRW-TUVASFSCSA-N 1 3 238.419 3.075 20 0 BGADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)C[C@@H](C)[NH3+])CCC2 ZINC000423132495 387910077 /nfs/dbraw/zinc/91/00/77/387910077.db2.gz PIJUQVSLMUMWRQ-DVOMOZLQSA-N 1 3 246.398 3.088 20 0 BGADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)C[C@H](C)[NH3+])CCC2 ZINC000423132496 387910261 /nfs/dbraw/zinc/91/02/61/387910261.db2.gz PIJUQVSLMUMWRQ-HEHGZKQESA-N 1 3 246.398 3.088 20 0 BGADHO Cc1ccc2c(c1)[C@H](N[C@H](C)C[C@H](C)[NH3+])CCC2 ZINC000423132497 387909851 /nfs/dbraw/zinc/90/98/51/387909851.db2.gz PIJUQVSLMUMWRQ-WOSRLPQWSA-N 1 3 246.398 3.088 20 0 BGADHO Cc1ccc2c(c1)[C@H](N[C@H](C)C[C@@H](C)[NH3+])CCC2 ZINC000423132498 387909987 /nfs/dbraw/zinc/90/99/87/387909987.db2.gz PIJUQVSLMUMWRQ-XJKCOSOUSA-N 1 3 246.398 3.088 20 0 BGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000423135832 387913895 /nfs/dbraw/zinc/91/38/95/387913895.db2.gz UPANQRMMEMANMJ-CHWSQXEVSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000423135833 387914582 /nfs/dbraw/zinc/91/45/82/387914582.db2.gz UPANQRMMEMANMJ-OLZOCXBDSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000423135834 387914739 /nfs/dbraw/zinc/91/47/39/387914739.db2.gz UPANQRMMEMANMJ-QWHCGFSZSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000423135835 387914750 /nfs/dbraw/zinc/91/47/50/387914750.db2.gz UPANQRMMEMANMJ-STQMWFEESA-N 1 3 240.435 3.036 20 0 BGADHO CC[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000423139162 387915943 /nfs/dbraw/zinc/91/59/43/387915943.db2.gz ZAGAAIWDGSPSIB-AJNGGQMLSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000423139163 387916392 /nfs/dbraw/zinc/91/63/92/387916392.db2.gz ZAGAAIWDGSPSIB-KBUPBQIOSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000423139164 387915936 /nfs/dbraw/zinc/91/59/36/387915936.db2.gz ZAGAAIWDGSPSIB-TUVASFSCSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000423139165 192583261 /nfs/dbraw/zinc/58/32/61/192583261.db2.gz ZAGAAIWDGSPSIB-ZQDZILKHSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000423142138 387917885 /nfs/dbraw/zinc/91/78/85/387917885.db2.gz UFGTULXMKFQOBY-BFHYXJOUSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000423142139 387918825 /nfs/dbraw/zinc/91/88/25/387918825.db2.gz UFGTULXMKFQOBY-IHRRRGAJSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000423142140 387918646 /nfs/dbraw/zinc/91/86/46/387918646.db2.gz UFGTULXMKFQOBY-MELADBBJSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCCCC12CCCC2 ZINC000423142141 387918420 /nfs/dbraw/zinc/91/84/20/387918420.db2.gz UFGTULXMKFQOBY-MJBXVCDLSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000423147266 387924709 /nfs/dbraw/zinc/92/47/09/387924709.db2.gz RNXQPCPBHMLGAU-AVGNSLFASA-N 1 3 246.398 3.340 20 0 BGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cccc(C2CC2)c1 ZINC000423147268 387924614 /nfs/dbraw/zinc/92/46/14/387924614.db2.gz RNXQPCPBHMLGAU-RWMBFGLXSA-N 1 3 246.398 3.340 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1cccc(C2CC2)c1 ZINC000423147269 387925571 /nfs/dbraw/zinc/92/55/71/387925571.db2.gz RNXQPCPBHMLGAU-XQQFMLRXSA-N 1 3 246.398 3.340 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cccc(C2CC2)c1 ZINC000423147270 387924310 /nfs/dbraw/zinc/92/43/10/387924310.db2.gz RNXQPCPBHMLGAU-YNEHKIRRSA-N 1 3 246.398 3.340 20 0 BGADHO CC(C)[C@@H]1C[C@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423150505 387929302 /nfs/dbraw/zinc/92/93/02/387929302.db2.gz ISGSKQPRFYIUBW-DANNLKNASA-N 1 3 244.382 3.013 20 0 BGADHO CC(C)[C@@H]1C[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423150506 387929234 /nfs/dbraw/zinc/92/92/34/387929234.db2.gz ISGSKQPRFYIUBW-DDWPSWQVSA-N 1 3 244.382 3.013 20 0 BGADHO CC(C)[C@@H]1C[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423150507 387929363 /nfs/dbraw/zinc/92/93/63/387929363.db2.gz ISGSKQPRFYIUBW-KSYCFECVSA-N 1 3 244.382 3.013 20 0 BGADHO CC(C)[C@@H]1C[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423150508 387930025 /nfs/dbraw/zinc/93/00/25/387930025.db2.gz ISGSKQPRFYIUBW-VCOSZWKGSA-N 1 3 244.382 3.013 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)N ZINC000423154504 387935015 /nfs/dbraw/zinc/93/50/15/387935015.db2.gz JKGVZRSNWQRBDD-BYNSBNAKSA-N 1 3 240.435 3.308 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@H](C)N ZINC000423154505 387934553 /nfs/dbraw/zinc/93/45/53/387934553.db2.gz JKGVZRSNWQRBDD-GBJTYRQASA-N 1 3 240.435 3.308 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@@H](C)N ZINC000423154506 387934932 /nfs/dbraw/zinc/93/49/32/387934932.db2.gz JKGVZRSNWQRBDD-KBUPBQIOSA-N 1 3 240.435 3.308 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423154507 387935289 /nfs/dbraw/zinc/93/52/89/387935289.db2.gz JKGVZRSNWQRBDD-LXTVHRRPSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423159661 387941755 /nfs/dbraw/zinc/94/17/55/387941755.db2.gz PNVTXWFWSOOEOO-KKUMJFAQSA-N 1 3 238.419 3.099 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423159662 387941612 /nfs/dbraw/zinc/94/16/12/387941612.db2.gz PNVTXWFWSOOEOO-RRFJBIMHSA-N 1 3 238.419 3.099 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423159663 387941802 /nfs/dbraw/zinc/94/18/02/387941802.db2.gz PNVTXWFWSOOEOO-SOUVJXGZSA-N 1 3 238.419 3.099 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423159664 387941870 /nfs/dbraw/zinc/94/18/70/387941870.db2.gz PNVTXWFWSOOEOO-ZNMIVQPWSA-N 1 3 238.419 3.099 20 0 BGADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423164764 387947649 /nfs/dbraw/zinc/94/76/49/387947649.db2.gz ADVCCSRFBMTTMY-CAPXZKIUSA-N 1 3 244.382 3.155 20 0 BGADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423164765 387948856 /nfs/dbraw/zinc/94/88/56/387948856.db2.gz ADVCCSRFBMTTMY-MPESAESLSA-N 1 3 244.382 3.155 20 0 BGADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423164766 387947635 /nfs/dbraw/zinc/94/76/35/387947635.db2.gz ADVCCSRFBMTTMY-MSQAHXEGSA-N 1 3 244.382 3.155 20 0 BGADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423164767 387948824 /nfs/dbraw/zinc/94/88/24/387948824.db2.gz ADVCCSRFBMTTMY-RAEVTNRLSA-N 1 3 244.382 3.155 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCC1 ZINC000423171759 387959456 /nfs/dbraw/zinc/95/94/56/387959456.db2.gz PXDLXXSHJJCCLW-CABCVRRESA-N 1 3 238.419 3.077 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCCNCC1)C1CCCC1 ZINC000423171760 387960270 /nfs/dbraw/zinc/96/02/70/387960270.db2.gz PXDLXXSHJJCCLW-GJZGRUSLSA-N 1 3 238.419 3.077 20 0 BGADHO CCC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCC1 ZINC000423171761 387958972 /nfs/dbraw/zinc/95/89/72/387958972.db2.gz PXDLXXSHJJCCLW-HUUCEWRRSA-N 1 3 238.419 3.077 20 0 BGADHO CCC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCC1 ZINC000423171762 387960235 /nfs/dbraw/zinc/96/02/35/387960235.db2.gz PXDLXXSHJJCCLW-LSDHHAIUSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000423172365 387959038 /nfs/dbraw/zinc/95/90/38/387959038.db2.gz SMDSKOAOSIYAGK-GMTAPVOTSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000423172366 387959255 /nfs/dbraw/zinc/95/92/55/387959255.db2.gz SMDSKOAOSIYAGK-MXWKQRLJSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000423172367 387959718 /nfs/dbraw/zinc/95/97/18/387959718.db2.gz SMDSKOAOSIYAGK-OUAUKWLOSA-N 1 3 240.778 3.116 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000423172368 387959963 /nfs/dbraw/zinc/95/99/63/387959963.db2.gz SMDSKOAOSIYAGK-VWYCJHECSA-N 1 3 240.778 3.116 20 0 BGADHO CCC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1CCCC1 ZINC000423172658 387958861 /nfs/dbraw/zinc/95/88/61/387958861.db2.gz UOZPRWKBBKZTGG-BZPMIXESSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1CCCC1 ZINC000423172659 387959764 /nfs/dbraw/zinc/95/97/64/387959764.db2.gz UOZPRWKBBKZTGG-DYEKYZERSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1CCCC1 ZINC000423172660 387959427 /nfs/dbraw/zinc/95/94/27/387959427.db2.gz UOZPRWKBBKZTGG-OBJOEFQTSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1CCCC1 ZINC000423172661 387959680 /nfs/dbraw/zinc/95/96/80/387959680.db2.gz UOZPRWKBBKZTGG-SCRDCRAPSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCCC1 ZINC000423173665 411236356 /nfs/dbraw/zinc/23/63/56/411236356.db2.gz ZPIHQNJDGYTAKO-AEGPPILISA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423173665 411236355 /nfs/dbraw/zinc/23/63/55/411236355.db2.gz ZPIHQNJDGYTAKO-AEGPPILISA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCCC1 ZINC000423173666 411236749 /nfs/dbraw/zinc/23/67/49/411236749.db2.gz ZPIHQNJDGYTAKO-BPLDGKMQSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423173666 411236746 /nfs/dbraw/zinc/23/67/46/411236746.db2.gz ZPIHQNJDGYTAKO-BPLDGKMQSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCCC1 ZINC000423173667 411236707 /nfs/dbraw/zinc/23/67/07/411236707.db2.gz ZPIHQNJDGYTAKO-CFVMTHIKSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423173667 411236705 /nfs/dbraw/zinc/23/67/05/411236705.db2.gz ZPIHQNJDGYTAKO-CFVMTHIKSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCCC1 ZINC000423173668 411236347 /nfs/dbraw/zinc/23/63/47/411236347.db2.gz ZPIHQNJDGYTAKO-NWANDNLSSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423173668 411236344 /nfs/dbraw/zinc/23/63/44/411236344.db2.gz ZPIHQNJDGYTAKO-NWANDNLSSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCCC1 ZINC000423173669 411236327 /nfs/dbraw/zinc/23/63/27/411236327.db2.gz ZPIHQNJDGYTAKO-QEJZJMRPSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423173669 411236323 /nfs/dbraw/zinc/23/63/23/411236323.db2.gz ZPIHQNJDGYTAKO-QEJZJMRPSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCCC1 ZINC000423173670 411236296 /nfs/dbraw/zinc/23/62/96/411236296.db2.gz ZPIHQNJDGYTAKO-SNPRPXQTSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423173670 411236293 /nfs/dbraw/zinc/23/62/93/411236293.db2.gz ZPIHQNJDGYTAKO-SNPRPXQTSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCCC1 ZINC000423173671 411236619 /nfs/dbraw/zinc/23/66/19/411236619.db2.gz ZPIHQNJDGYTAKO-VHDGCEQUSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423173671 411236617 /nfs/dbraw/zinc/23/66/17/411236617.db2.gz ZPIHQNJDGYTAKO-VHDGCEQUSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCCC1 ZINC000423173672 411236767 /nfs/dbraw/zinc/23/67/67/411236767.db2.gz ZPIHQNJDGYTAKO-YUELXQCFSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](N[C@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423173672 411236765 /nfs/dbraw/zinc/23/67/65/411236765.db2.gz ZPIHQNJDGYTAKO-YUELXQCFSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423174228 398164326 /nfs/dbraw/zinc/16/43/26/398164326.db2.gz BSOOXRPOKFUCLX-CHWSQXEVSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423174229 398164425 /nfs/dbraw/zinc/16/44/25/398164425.db2.gz BSOOXRPOKFUCLX-OLZOCXBDSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423174230 398164335 /nfs/dbraw/zinc/16/43/35/398164335.db2.gz BSOOXRPOKFUCLX-QWHCGFSZSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423174231 398164305 /nfs/dbraw/zinc/16/43/05/398164305.db2.gz BSOOXRPOKFUCLX-STQMWFEESA-N 1 3 240.435 3.308 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000423176449 387962392 /nfs/dbraw/zinc/96/23/92/387962392.db2.gz CKNGWELMYGXCSW-CYBMUJFWSA-N 1 3 246.398 3.042 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000423176450 387961660 /nfs/dbraw/zinc/96/16/60/387961660.db2.gz CKNGWELMYGXCSW-ZDUSSCGKSA-N 1 3 246.398 3.042 20 0 BGADHO Cc1ccc([C@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423176650 387962123 /nfs/dbraw/zinc/96/21/23/387962123.db2.gz HOZVSJOXFPPXGJ-AWEZNQCLSA-N 1 3 246.398 3.307 20 0 BGADHO Cc1ccc([C@@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423176651 387961275 /nfs/dbraw/zinc/96/12/75/387961275.db2.gz HOZVSJOXFPPXGJ-CQSZACIVSA-N 1 3 246.398 3.307 20 0 BGADHO CCCC[C@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000423177923 387964979 /nfs/dbraw/zinc/96/49/79/387964979.db2.gz FFHXSJJCARCPQW-INIZCTEOSA-N 1 3 246.398 3.260 20 0 BGADHO CCCC[C@@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000423177925 387964926 /nfs/dbraw/zinc/96/49/26/387964926.db2.gz FFHXSJJCARCPQW-MRXNPFEDSA-N 1 3 246.398 3.260 20 0 BGADHO CC[C@H]([NH2+]CC1(N)CCCCC1)c1ccccc1 ZINC000423178882 387963878 /nfs/dbraw/zinc/96/38/78/387963878.db2.gz LCUXAJFZWWWMPX-HNNXBMFYSA-N 1 3 246.398 3.389 20 0 BGADHO CC[C@@H]([NH2+]CC1(N)CCCCC1)c1ccccc1 ZINC000423178883 387964486 /nfs/dbraw/zinc/96/44/86/387964486.db2.gz LCUXAJFZWWWMPX-OAHLLOKOSA-N 1 3 246.398 3.389 20 0 BGADHO Cc1cccc([C@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000423180396 387965643 /nfs/dbraw/zinc/96/56/43/387965643.db2.gz NLQXOKRFUFKRDG-AWEZNQCLSA-N 1 3 246.398 3.307 20 0 BGADHO Cc1cccc([C@@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000423180397 387965229 /nfs/dbraw/zinc/96/52/29/387965229.db2.gz NLQXOKRFUFKRDG-CQSZACIVSA-N 1 3 246.398 3.307 20 0 BGADHO C[C@@H]([NH2+]CC1(N)CCCCC1)c1cccs1 ZINC000423182092 387968334 /nfs/dbraw/zinc/96/83/34/387968334.db2.gz PSZCSYIFMGWIQY-LLVKDONJSA-N 1 3 238.400 3.060 20 0 BGADHO C[C@H]([NH2+]CC1(N)CCCCC1)c1cccs1 ZINC000423182095 387967140 /nfs/dbraw/zinc/96/71/40/387967140.db2.gz PSZCSYIFMGWIQY-NSHDSACASA-N 1 3 238.400 3.060 20 0 BGADHO Cc1ccccc1[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423186117 387972405 /nfs/dbraw/zinc/97/24/05/387972405.db2.gz WKGYLGVESARQDR-AWEZNQCLSA-N 1 3 246.398 3.307 20 0 BGADHO Cc1ccccc1[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423186118 387972389 /nfs/dbraw/zinc/97/23/89/387972389.db2.gz WKGYLGVESARQDR-CQSZACIVSA-N 1 3 246.398 3.307 20 0 BGADHO Cc1ccccc1[C@@H]([NH2+]CCCN)C1CCCC1 ZINC000423186563 387971065 /nfs/dbraw/zinc/97/10/65/387971065.db2.gz KJTWVLDIYXTRQT-INIZCTEOSA-N 1 3 246.398 3.165 20 0 BGADHO Cc1ccccc1[C@@H](NCCC[NH3+])C1CCCC1 ZINC000423186563 387971063 /nfs/dbraw/zinc/97/10/63/387971063.db2.gz KJTWVLDIYXTRQT-INIZCTEOSA-N 1 3 246.398 3.165 20 0 BGADHO Cc1ccccc1[C@H]([NH2+]CCCN)C1CCCC1 ZINC000423186564 387971467 /nfs/dbraw/zinc/97/14/67/387971467.db2.gz KJTWVLDIYXTRQT-MRXNPFEDSA-N 1 3 246.398 3.165 20 0 BGADHO Cc1ccccc1[C@H](NCCC[NH3+])C1CCCC1 ZINC000423186564 387971465 /nfs/dbraw/zinc/97/14/65/387971465.db2.gz KJTWVLDIYXTRQT-MRXNPFEDSA-N 1 3 246.398 3.165 20 0 BGADHO C[NH2+]CCCN[C@H](C)c1cccc2ccccc21 ZINC000423186647 192615670 /nfs/dbraw/zinc/61/56/70/192615670.db2.gz LJWIBQPTVOAITF-CYBMUJFWSA-N 1 3 242.366 3.100 20 0 BGADHO C[NH2+]CCCN[C@@H](C)c1cccc2ccccc21 ZINC000423186648 387971968 /nfs/dbraw/zinc/97/19/68/387971968.db2.gz LJWIBQPTVOAITF-ZDUSSCGKSA-N 1 3 242.366 3.100 20 0 BGADHO CC1(C)CCc2ccccc2[C@@H](NCCC[NH3+])C1 ZINC000423187676 387971575 /nfs/dbraw/zinc/97/15/75/387971575.db2.gz LEQOVMRNXSECNW-HNNXBMFYSA-N 1 3 246.398 3.029 20 0 BGADHO CC1(C)CCc2ccccc2[C@H](NCCC[NH3+])C1 ZINC000423187677 387972369 /nfs/dbraw/zinc/97/23/69/387972369.db2.gz LEQOVMRNXSECNW-OAHLLOKOSA-N 1 3 246.398 3.029 20 0 BGADHO CC(C)c1ccc2c(c1)[C@@H](NCCC[NH3+])CCC2 ZINC000423188593 387973290 /nfs/dbraw/zinc/97/32/90/387973290.db2.gz LRJNEKMOFZVGNY-INIZCTEOSA-N 1 3 246.398 3.126 20 0 BGADHO CC(C)c1ccc2c(c1)[C@H](NCCC[NH3+])CCC2 ZINC000423188594 387974095 /nfs/dbraw/zinc/97/40/95/387974095.db2.gz LRJNEKMOFZVGNY-MRXNPFEDSA-N 1 3 246.398 3.126 20 0 BGADHO Cc1ccc([C@@H]([NH2+]CCCN)C2CCCC2)cc1 ZINC000423189133 387974481 /nfs/dbraw/zinc/97/44/81/387974481.db2.gz MLKOYQBZPWLNNH-INIZCTEOSA-N 1 3 246.398 3.165 20 0 BGADHO Cc1ccc([C@@H](NCCC[NH3+])C2CCCC2)cc1 ZINC000423189133 387974478 /nfs/dbraw/zinc/97/44/78/387974478.db2.gz MLKOYQBZPWLNNH-INIZCTEOSA-N 1 3 246.398 3.165 20 0 BGADHO Cc1ccc([C@H]([NH2+]CCCN)C2CCCC2)cc1 ZINC000423189134 387973864 /nfs/dbraw/zinc/97/38/64/387973864.db2.gz MLKOYQBZPWLNNH-MRXNPFEDSA-N 1 3 246.398 3.165 20 0 BGADHO Cc1ccc([C@H](NCCC[NH3+])C2CCCC2)cc1 ZINC000423189134 387973861 /nfs/dbraw/zinc/97/38/61/387973861.db2.gz MLKOYQBZPWLNNH-MRXNPFEDSA-N 1 3 246.398 3.165 20 0 BGADHO CCc1ccc([C@H](CC)[NH2+]C2CCNCC2)cc1 ZINC000423192005 387978107 /nfs/dbraw/zinc/97/81/07/387978107.db2.gz UZUXTEAEVMDFAH-INIZCTEOSA-N 1 3 246.398 3.042 20 0 BGADHO CCc1ccc([C@@H](CC)[NH2+]C2CCNCC2)cc1 ZINC000423192006 387977823 /nfs/dbraw/zinc/97/78/23/387977823.db2.gz UZUXTEAEVMDFAH-MRXNPFEDSA-N 1 3 246.398 3.042 20 0 BGADHO CC(C)[C@H](NCCC[NH3+])c1cc2ccccc2o1 ZINC000423194871 387980434 /nfs/dbraw/zinc/98/04/34/387980434.db2.gz RYZGQZYYFQUVNS-HNNXBMFYSA-N 1 3 246.354 3.068 20 0 BGADHO CC(C)[C@@H](NCCC[NH3+])c1cc2ccccc2o1 ZINC000423194872 387979452 /nfs/dbraw/zinc/97/94/52/387979452.db2.gz RYZGQZYYFQUVNS-OAHLLOKOSA-N 1 3 246.354 3.068 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+][C@H]2CCCNC2)cc1 ZINC000423195140 387980296 /nfs/dbraw/zinc/98/02/96/387980296.db2.gz SHLZITJDGWMDKY-BBRMVZONSA-N 1 3 246.398 3.042 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2)cc1 ZINC000423195141 387979563 /nfs/dbraw/zinc/97/95/63/387979563.db2.gz SHLZITJDGWMDKY-CJNGLKHVSA-N 1 3 246.398 3.042 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2)cc1 ZINC000423195142 387980419 /nfs/dbraw/zinc/98/04/19/387980419.db2.gz SHLZITJDGWMDKY-CZUORRHYSA-N 1 3 246.398 3.042 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2)cc1 ZINC000423195143 387979583 /nfs/dbraw/zinc/97/95/83/387979583.db2.gz SHLZITJDGWMDKY-XJKSGUPXSA-N 1 3 246.398 3.042 20 0 BGADHO CC(C)(C)[C@H](CCC1CCCC1)[NH2+]CCCN ZINC000423196003 387982229 /nfs/dbraw/zinc/98/22/29/387982229.db2.gz UGGYBBWPZGFKMP-AWEZNQCLSA-N 1 3 240.435 3.310 20 0 BGADHO CC(C)(C)[C@@H](CCC1CCCC1)[NH2+]CCCN ZINC000423196004 387981928 /nfs/dbraw/zinc/98/19/28/387981928.db2.gz UGGYBBWPZGFKMP-CQSZACIVSA-N 1 3 240.435 3.310 20 0 BGADHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1ccccc1 ZINC000423197757 387983268 /nfs/dbraw/zinc/98/32/68/387983268.db2.gz AXUICTOMKAJAOJ-AWEZNQCLSA-N 1 3 246.398 3.389 20 0 BGADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1ccccc1 ZINC000423197758 387984420 /nfs/dbraw/zinc/98/44/20/387984420.db2.gz AXUICTOMKAJAOJ-CQSZACIVSA-N 1 3 246.398 3.389 20 0 BGADHO C[NH2+]CCCN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000423198489 387984696 /nfs/dbraw/zinc/98/46/96/387984696.db2.gz GFEDFXCIHKREBV-HNNXBMFYSA-N 1 3 248.414 3.363 20 0 BGADHO C[NH2+]CCCN[C@H](CC(C)(C)C)c1ccccc1 ZINC000423198490 387983736 /nfs/dbraw/zinc/98/37/36/387983736.db2.gz GFEDFXCIHKREBV-OAHLLOKOSA-N 1 3 248.414 3.363 20 0 BGADHO C[NH2+]CCCN[C@@H](c1ccccc1)C1CCCC1 ZINC000423198698 387983911 /nfs/dbraw/zinc/98/39/11/387983911.db2.gz HIYCKDVONIBDMR-INIZCTEOSA-N 1 3 246.398 3.117 20 0 BGADHO C[NH2+]CCCN[C@H](c1ccccc1)C1CCCC1 ZINC000423198699 192623482 /nfs/dbraw/zinc/62/34/82/192623482.db2.gz HIYCKDVONIBDMR-MRXNPFEDSA-N 1 3 246.398 3.117 20 0 BGADHO CC(C)C1CC(NCC2([NH3+])CCCCCC2)C1 ZINC000423198975 387986806 /nfs/dbraw/zinc/98/68/06/387986806.db2.gz IWLSOYPOQVYGMA-UHFFFAOYSA-N 1 3 238.419 3.062 20 0 BGADHO CNCCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423200986 387988077 /nfs/dbraw/zinc/98/80/77/387988077.db2.gz NVZRVJHHDZLWML-UHFFFAOYSA-N 1 3 238.419 3.079 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423204416 387989878 /nfs/dbraw/zinc/98/98/78/387989878.db2.gz AQCMFGSJZQZQNX-AJNGGQMLSA-N 1 3 240.435 3.179 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423204417 192625719 /nfs/dbraw/zinc/62/57/19/192625719.db2.gz AQCMFGSJZQZQNX-XGUBFFRZSA-N 1 3 240.435 3.179 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423204418 387989992 /nfs/dbraw/zinc/98/99/92/387989992.db2.gz AQCMFGSJZQZQNX-XQLPTFJDSA-N 1 3 240.435 3.179 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423204419 387989605 /nfs/dbraw/zinc/98/96/05/387989605.db2.gz AQCMFGSJZQZQNX-YJNKXOJESA-N 1 3 240.435 3.179 20 0 BGADHO CNCCC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000423205099 387991638 /nfs/dbraw/zinc/99/16/38/387991638.db2.gz VIYZFRRKGNFAOJ-CYBMUJFWSA-N 1 3 228.424 3.036 20 0 BGADHO CNCCC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000423205100 192627900 /nfs/dbraw/zinc/62/79/00/192627900.db2.gz VIYZFRRKGNFAOJ-ZDUSSCGKSA-N 1 3 228.424 3.036 20 0 BGADHO C[NH2+]CCCN[C@H](c1ccc(C)cc1)C1CCC1 ZINC000423208542 387992648 /nfs/dbraw/zinc/99/26/48/387992648.db2.gz YYYARPNTDGTAEM-INIZCTEOSA-N 1 3 246.398 3.035 20 0 BGADHO C[NH2+]CCCN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC000423208543 387993552 /nfs/dbraw/zinc/99/35/52/387993552.db2.gz YYYARPNTDGTAEM-MRXNPFEDSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H]1CCCNC1)c1cccc(C)c1 ZINC000423208859 387993205 /nfs/dbraw/zinc/99/32/05/387993205.db2.gz ICBOLLLABLLZMO-GDBMZVCRSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423208859 387993202 /nfs/dbraw/zinc/99/32/02/387993202.db2.gz ICBOLLLABLLZMO-GDBMZVCRSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@@H]([NH2+]C[C@H]1CCCNC1)c1cccc(C)c1 ZINC000423208860 387993818 /nfs/dbraw/zinc/99/38/18/387993818.db2.gz ICBOLLLABLLZMO-GOEBONIOSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423208860 387993815 /nfs/dbraw/zinc/99/38/15/387993815.db2.gz ICBOLLLABLLZMO-GOEBONIOSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@H]([NH2+]C[C@H]1CCCNC1)c1cccc(C)c1 ZINC000423208861 387992856 /nfs/dbraw/zinc/99/28/56/387992856.db2.gz ICBOLLLABLLZMO-HOCLYGCPSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423208861 387992851 /nfs/dbraw/zinc/99/28/51/387992851.db2.gz ICBOLLLABLLZMO-HOCLYGCPSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)c1cccc(C)c1 ZINC000423208862 387992923 /nfs/dbraw/zinc/99/29/23/387992923.db2.gz ICBOLLLABLLZMO-ZBFHGGJFSA-N 1 3 246.398 3.035 20 0 BGADHO CC[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423208862 387992920 /nfs/dbraw/zinc/99/29/20/387992920.db2.gz ICBOLLLABLLZMO-ZBFHGGJFSA-N 1 3 246.398 3.035 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+]C[C@H]1CCCNC1 ZINC000423217756 387998980 /nfs/dbraw/zinc/99/89/80/387998980.db2.gz UORCIAUWNURSHO-AWEZNQCLSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CCCNC1 ZINC000423217757 388000218 /nfs/dbraw/zinc/00/02/18/388000218.db2.gz UORCIAUWNURSHO-CQSZACIVSA-N 1 3 240.435 3.036 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423219890 387999740 /nfs/dbraw/zinc/99/97/40/387999740.db2.gz UUFXUIRXLITRFK-AJNGGQMLSA-N 1 3 240.435 3.179 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423219891 388000585 /nfs/dbraw/zinc/00/05/85/388000585.db2.gz UUFXUIRXLITRFK-BYNSBNAKSA-N 1 3 240.435 3.179 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423219892 387998873 /nfs/dbraw/zinc/99/88/73/387998873.db2.gz UUFXUIRXLITRFK-XQLPTFJDSA-N 1 3 240.435 3.179 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423219893 387999619 /nfs/dbraw/zinc/99/96/19/387999619.db2.gz UUFXUIRXLITRFK-ZQDZILKHSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)C[C@@H](NCC[C@H](C)[NH3+])c1ccccc1 ZINC000423222521 388004542 /nfs/dbraw/zinc/00/45/42/388004542.db2.gz BLQYDKPWTHZEQL-DZGCQCFKSA-N 1 3 234.387 3.101 20 0 BGADHO CC(C)C[C@H](NCC[C@H](C)[NH3+])c1ccccc1 ZINC000423222524 388004051 /nfs/dbraw/zinc/00/40/51/388004051.db2.gz BLQYDKPWTHZEQL-ZFWWWQNUSA-N 1 3 234.387 3.101 20 0 BGADHO CCCc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423222885 388003762 /nfs/dbraw/zinc/00/37/62/388003762.db2.gz DBQRLGOGEYNMRA-QWHCGFSZSA-N 1 3 234.387 3.027 20 0 BGADHO CCCc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423222886 192634011 /nfs/dbraw/zinc/63/40/11/192634011.db2.gz DBQRLGOGEYNMRA-STQMWFEESA-N 1 3 234.387 3.027 20 0 BGADHO CCc1ccc([C@@H](NCC[C@H](C)[NH3+])C(C)C)cc1 ZINC000423222894 388003819 /nfs/dbraw/zinc/00/38/19/388003819.db2.gz DEBNOKXXHCWUEE-BBRMVZONSA-N 1 3 248.414 3.273 20 0 BGADHO CCc1ccc([C@H](NCC[C@H](C)[NH3+])C(C)C)cc1 ZINC000423222897 388004459 /nfs/dbraw/zinc/00/44/59/388004459.db2.gz DEBNOKXXHCWUEE-XJKSGUPXSA-N 1 3 248.414 3.273 20 0 BGADHO C[C@@H](NCC[C@H](C)[NH3+])c1cccc2ccccc21 ZINC000423223468 388006531 /nfs/dbraw/zinc/00/65/31/388006531.db2.gz ABWLNAJSYCQYHX-QWHCGFSZSA-N 1 3 242.366 3.228 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](C)c1cccc2ccccc21 ZINC000423223469 388005856 /nfs/dbraw/zinc/00/58/56/388005856.db2.gz ABWLNAJSYCQYHX-STQMWFEESA-N 1 3 242.366 3.228 20 0 BGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc2ccccc2c1 ZINC000423223535 388006535 /nfs/dbraw/zinc/00/65/35/388006535.db2.gz AJTPNUMDSPBMBS-QWHCGFSZSA-N 1 3 242.366 3.228 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc2ccccc2c1 ZINC000423223536 192634917 /nfs/dbraw/zinc/63/49/17/192634917.db2.gz AJTPNUMDSPBMBS-STQMWFEESA-N 1 3 242.366 3.228 20 0 BGADHO CC(C)CC[C@@H]([NH2+]CC[C@H](C)N)C(C)(C)C ZINC000423224373 388006489 /nfs/dbraw/zinc/00/64/89/388006489.db2.gz IUGWZIGSBSZFPU-QWHCGFSZSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)CC[C@H]([NH2+]CC[C@H](C)N)C(C)(C)C ZINC000423224374 388006235 /nfs/dbraw/zinc/00/62/35/388006235.db2.gz IUGWZIGSBSZFPU-STQMWFEESA-N 1 3 228.424 3.164 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](c1ccccc1)C1CCCC1 ZINC000423224438 388005526 /nfs/dbraw/zinc/00/55/26/388005526.db2.gz JFKBJSOFDVGXAF-BBRMVZONSA-N 1 3 246.398 3.245 20 0 BGADHO C[C@@H]([NH3+])CCN[C@@H](c1ccccc1)C1CCCC1 ZINC000423224439 388005473 /nfs/dbraw/zinc/00/54/73/388005473.db2.gz JFKBJSOFDVGXAF-CJNGLKHVSA-N 1 3 246.398 3.245 20 0 BGADHO C[C@@H]([NH3+])CCN[C@H](c1ccccc1)C1CCCC1 ZINC000423224440 388006506 /nfs/dbraw/zinc/00/65/06/388006506.db2.gz JFKBJSOFDVGXAF-CZUORRHYSA-N 1 3 246.398 3.245 20 0 BGADHO C[C@H]([NH3+])CCN[C@H](c1ccccc1)C1CCCC1 ZINC000423224441 388005552 /nfs/dbraw/zinc/00/55/52/388005552.db2.gz JFKBJSOFDVGXAF-XJKSGUPXSA-N 1 3 246.398 3.245 20 0 BGADHO C[C@H]([NH3+])CCN[C@H](CC(C)(C)C)c1ccccc1 ZINC000423224634 192634535 /nfs/dbraw/zinc/63/45/35/192634535.db2.gz JRCXAIXLNGBIJS-DZGCQCFKSA-N 1 3 248.414 3.491 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000423224637 388005670 /nfs/dbraw/zinc/00/56/70/388005670.db2.gz JRCXAIXLNGBIJS-ZFWWWQNUSA-N 1 3 248.414 3.491 20 0 BGADHO CC(C)C[C@@H](NCC[C@H](C)[NH3+])c1cccs1 ZINC000423224645 388005483 /nfs/dbraw/zinc/00/54/83/388005483.db2.gz JSHLQORUDRCVJF-NWDGAFQWSA-N 1 3 240.416 3.162 20 0 BGADHO CC(C)C[C@H](NCC[C@H](C)[NH3+])c1cccs1 ZINC000423224646 388005246 /nfs/dbraw/zinc/00/52/46/388005246.db2.gz JSHLQORUDRCVJF-RYUDHWBXSA-N 1 3 240.416 3.162 20 0 BGADHO CC(C)Cc1cccc([C@H](C)NCC[C@H](C)[NH3+])c1 ZINC000423225127 388007104 /nfs/dbraw/zinc/00/71/04/388007104.db2.gz LHRMRGTUYGQCKV-KBPBESRZSA-N 1 3 248.414 3.273 20 0 BGADHO CC(C)Cc1cccc([C@@H](C)NCC[C@H](C)[NH3+])c1 ZINC000423225129 388007782 /nfs/dbraw/zinc/00/77/82/388007782.db2.gz LHRMRGTUYGQCKV-UONOGXRCSA-N 1 3 248.414 3.273 20 0 BGADHO CCC[C@@H]([NH2+]CC[C@H](C)N)C1CCCCC1 ZINC000423225383 388007369 /nfs/dbraw/zinc/00/73/69/388007369.db2.gz MNRBQZJKAVFNPT-GXTWGEPZSA-N 1 3 226.408 3.062 20 0 BGADHO CCC[C@H]([NH2+]CC[C@H](C)N)C1CCCCC1 ZINC000423225384 388006899 /nfs/dbraw/zinc/00/68/99/388006899.db2.gz MNRBQZJKAVFNPT-JSGCOSHPSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000423225478 388007756 /nfs/dbraw/zinc/00/77/56/388007756.db2.gz MXGKDFAVJHFRAY-SWLSCSKDSA-N 1 3 246.398 3.126 20 0 BGADHO C[C@H]([NH3+])CCN[C@H]1CCC(C)(C)c2ccccc21 ZINC000423225479 388007487 /nfs/dbraw/zinc/00/74/87/388007487.db2.gz MXGKDFAVJHFRAY-WFASDCNBSA-N 1 3 246.398 3.126 20 0 BGADHO Cc1ccccc1[C@@H](CC(C)C)NCC[C@@H](C)[NH3+] ZINC000423225523 388007646 /nfs/dbraw/zinc/00/76/46/388007646.db2.gz NBXFXJLUXQBWGO-GDBMZVCRSA-N 1 3 248.414 3.409 20 0 BGADHO Cc1ccccc1[C@@H](CC(C)C)NCC[C@H](C)[NH3+] ZINC000423225524 192636289 /nfs/dbraw/zinc/63/62/89/192636289.db2.gz NBXFXJLUXQBWGO-GOEBONIOSA-N 1 3 248.414 3.409 20 0 BGADHO Cc1ccccc1[C@H](CC(C)C)NCC[C@H](C)[NH3+] ZINC000423225525 388007540 /nfs/dbraw/zinc/00/75/40/388007540.db2.gz NBXFXJLUXQBWGO-HOCLYGCPSA-N 1 3 248.414 3.409 20 0 BGADHO Cc1ccccc1[C@H](CC(C)C)NCC[C@@H](C)[NH3+] ZINC000423225526 388007138 /nfs/dbraw/zinc/00/71/38/388007138.db2.gz NBXFXJLUXQBWGO-ZBFHGGJFSA-N 1 3 248.414 3.409 20 0 BGADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccc(Cl)s1 ZINC000423225636 388008127 /nfs/dbraw/zinc/00/81/27/388008127.db2.gz NPTPTIMWLXTXAH-DTWKUNHWSA-N 1 3 246.807 3.180 20 0 BGADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccc(Cl)s1 ZINC000423225637 388008146 /nfs/dbraw/zinc/00/81/46/388008146.db2.gz NPTPTIMWLXTXAH-IUCAKERBSA-N 1 3 246.807 3.180 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000423225821 388010199 /nfs/dbraw/zinc/01/01/99/388010199.db2.gz OJRXTCJXJVDPGJ-JBLDHEPKSA-N 1 3 238.400 3.013 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423225822 388009141 /nfs/dbraw/zinc/00/91/41/388009141.db2.gz OJRXTCJXJVDPGJ-JFGNBEQYSA-N 1 3 238.400 3.013 20 0 BGADHO C[C@H]([NH3+])CCN[C@H]1CC[C@H](C)c2ccsc21 ZINC000423225823 388010342 /nfs/dbraw/zinc/01/03/42/388010342.db2.gz OJRXTCJXJVDPGJ-NHCYSSNCSA-N 1 3 238.400 3.013 20 0 BGADHO C[C@H]([NH3+])CCN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000423225824 388008832 /nfs/dbraw/zinc/00/88/32/388008832.db2.gz OJRXTCJXJVDPGJ-SCVCMEIPSA-N 1 3 238.400 3.013 20 0 BGADHO C[C@@H]([NH3+])CCN[C@H](C)c1ccccc1C(C)(C)C ZINC000423226388 388009156 /nfs/dbraw/zinc/00/91/56/388009156.db2.gz QNKCBOLFQLWWBO-CHWSQXEVSA-N 1 3 248.414 3.372 20 0 BGADHO C[C@@H]([NH3+])CCN[C@@H](C)c1ccccc1C(C)(C)C ZINC000423226389 388009660 /nfs/dbraw/zinc/00/96/60/388009660.db2.gz QNKCBOLFQLWWBO-OLZOCXBDSA-N 1 3 248.414 3.372 20 0 BGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccccc1C(C)(C)C ZINC000423226390 388009484 /nfs/dbraw/zinc/00/94/84/388009484.db2.gz QNKCBOLFQLWWBO-QWHCGFSZSA-N 1 3 248.414 3.372 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccccc1C(C)(C)C ZINC000423226391 388009833 /nfs/dbraw/zinc/00/98/33/388009833.db2.gz QNKCBOLFQLWWBO-STQMWFEESA-N 1 3 248.414 3.372 20 0 BGADHO C[C@H](N)CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423227131 388012103 /nfs/dbraw/zinc/01/21/03/388012103.db2.gz UOSVVTVDIWDQCN-ZDUSSCGKSA-N 1 3 238.419 3.206 20 0 BGADHO Cc1ccc(C)c2c1CCC[C@H]2NCC[C@H](C)[NH3+] ZINC000423227208 388011851 /nfs/dbraw/zinc/01/18/51/388011851.db2.gz UWKKTOKDXZWLCO-DZGCQCFKSA-N 1 3 246.398 3.008 20 0 BGADHO Cc1ccc(C)c2c1CCC[C@@H]2NCC[C@H](C)[NH3+] ZINC000423227211 192637758 /nfs/dbraw/zinc/63/77/58/192637758.db2.gz UWKKTOKDXZWLCO-ZFWWWQNUSA-N 1 3 246.398 3.008 20 0 BGADHO Cc1ccc([C@@H](NCC[C@H](C)[NH3+])C2CCC2)cc1 ZINC000423227309 388012172 /nfs/dbraw/zinc/01/21/72/388012172.db2.gz VGJWNNWYDYDYGW-BBRMVZONSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccc([C@H](NCC[C@H](C)[NH3+])C2CCC2)cc1 ZINC000423227312 388011272 /nfs/dbraw/zinc/01/12/72/388011272.db2.gz VGJWNNWYDYDYGW-XJKSGUPXSA-N 1 3 246.398 3.163 20 0 BGADHO CCc1ccc([C@@H](CC)NCC[C@H](C)[NH3+])cc1 ZINC000423227523 388012140 /nfs/dbraw/zinc/01/21/40/388012140.db2.gz WCWQCPMLAOAXRI-SWLSCSKDSA-N 1 3 234.387 3.027 20 0 BGADHO CCc1ccc([C@H](CC)NCC[C@H](C)[NH3+])cc1 ZINC000423227524 388011570 /nfs/dbraw/zinc/01/15/70/388011570.db2.gz WCWQCPMLAOAXRI-WFASDCNBSA-N 1 3 234.387 3.027 20 0 BGADHO CCCC[C@@H](NCC[C@H](C)[NH3+])c1ccccc1 ZINC000423227706 388013254 /nfs/dbraw/zinc/01/32/54/388013254.db2.gz WRFIFEGDRWNGKH-DZGCQCFKSA-N 1 3 234.387 3.245 20 0 BGADHO CCCC[C@H](NCC[C@H](C)[NH3+])c1ccccc1 ZINC000423227709 388013860 /nfs/dbraw/zinc/01/38/60/388013860.db2.gz WRFIFEGDRWNGKH-ZFWWWQNUSA-N 1 3 234.387 3.245 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](C)c1cc2ccccc2s1 ZINC000423227796 388012891 /nfs/dbraw/zinc/01/28/91/388012891.db2.gz XAKCLHYSXHNZLH-QWRGUYRKSA-N 1 3 248.395 3.289 20 0 BGADHO C[C@@H](NCC[C@H](C)[NH3+])c1cc2ccccc2s1 ZINC000423227797 388013286 /nfs/dbraw/zinc/01/32/86/388013286.db2.gz XAKCLHYSXHNZLH-WDEREUQCSA-N 1 3 248.395 3.289 20 0 BGADHO CC(C)[C@H]1C[C@@H](NCC[C@H](C)[NH3+])c2ccccc21 ZINC000423227878 388012606 /nfs/dbraw/zinc/01/26/06/388012606.db2.gz XJPOLTNJYAVAMM-APHBMKBZSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@H]1C[C@H](NCC[C@H](C)[NH3+])c2ccccc21 ZINC000423227879 388013230 /nfs/dbraw/zinc/01/32/30/388013230.db2.gz XJPOLTNJYAVAMM-MAZHCROVSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@@H]1C[C@H](NCC[C@H](C)[NH3+])c2ccccc21 ZINC000423227880 388013415 /nfs/dbraw/zinc/01/34/15/388013415.db2.gz XJPOLTNJYAVAMM-RCBQFDQVSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])c2ccccc21 ZINC000423227881 388013650 /nfs/dbraw/zinc/01/36/50/388013650.db2.gz XJPOLTNJYAVAMM-VBNZEHGJSA-N 1 3 246.398 3.198 20 0 BGADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000423228085 388012665 /nfs/dbraw/zinc/01/26/65/388012665.db2.gz YCOJBFSYIPBZKX-BPUTZDHNSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000423228086 388013986 /nfs/dbraw/zinc/01/39/86/388013986.db2.gz YCOJBFSYIPBZKX-CWRNSKLLSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000423228087 388012818 /nfs/dbraw/zinc/01/28/18/388012818.db2.gz YCOJBFSYIPBZKX-IMJJTQAJSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000423228088 388013877 /nfs/dbraw/zinc/01/38/77/388013877.db2.gz YCOJBFSYIPBZKX-NUEKZKHPSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](CC1CCC1)c1ccccc1 ZINC000423228520 388013785 /nfs/dbraw/zinc/01/37/85/388013785.db2.gz ZXZZYTQMFYLSIH-BBRMVZONSA-N 1 3 246.398 3.245 20 0 BGADHO C[C@H]([NH3+])CCN[C@H](CC1CCC1)c1ccccc1 ZINC000423228523 388014037 /nfs/dbraw/zinc/01/40/37/388014037.db2.gz ZXZZYTQMFYLSIH-XJKSGUPXSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H](NCC[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000423228938 388014914 /nfs/dbraw/zinc/01/49/14/388014914.db2.gz FZXAFSXLPJKDKP-GWCFXTLKSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@@H](NCC[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000423228939 388015006 /nfs/dbraw/zinc/01/50/06/388015006.db2.gz FZXAFSXLPJKDKP-GXFFZTMASA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423231079 388017622 /nfs/dbraw/zinc/01/76/22/388017622.db2.gz KRFDAYZEOJSQFO-GWCFXTLKSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423231080 388016920 /nfs/dbraw/zinc/01/69/20/388016920.db2.gz KRFDAYZEOJSQFO-GXFFZTMASA-N 1 3 240.778 3.118 20 0 BGADHO CC(C)c1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423231097 388017033 /nfs/dbraw/zinc/01/70/33/388017033.db2.gz KTHXYSINFZOYLJ-QWHCGFSZSA-N 1 3 234.387 3.198 20 0 BGADHO CC(C)c1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423231098 388016665 /nfs/dbraw/zinc/01/66/65/388016665.db2.gz KTHXYSINFZOYLJ-STQMWFEESA-N 1 3 234.387 3.198 20 0 BGADHO CC(C)Cc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423233818 388019208 /nfs/dbraw/zinc/01/92/08/388019208.db2.gz OWTQHCBVVAMCCN-KBPBESRZSA-N 1 3 248.414 3.273 20 0 BGADHO CC(C)Cc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423233820 388019247 /nfs/dbraw/zinc/01/92/47/388019247.db2.gz OWTQHCBVVAMCCN-UONOGXRCSA-N 1 3 248.414 3.273 20 0 BGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000423235255 388019625 /nfs/dbraw/zinc/01/96/25/388019625.db2.gz QOQJEQSCOMUCEJ-QWHCGFSZSA-N 1 3 248.414 3.372 20 0 BGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423235256 388019354 /nfs/dbraw/zinc/01/93/54/388019354.db2.gz QOQJEQSCOMUCEJ-STQMWFEESA-N 1 3 248.414 3.372 20 0 BGADHO CC[NH2+]CCNC1CCC2(CCCCC2)CC1 ZINC000423246221 388030324 /nfs/dbraw/zinc/03/03/24/388030324.db2.gz NATIPHQGTMKWBZ-UHFFFAOYSA-N 1 3 238.419 3.079 20 0 BGADHO CCNCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000423248196 388029647 /nfs/dbraw/zinc/02/96/47/388029647.db2.gz QIQAHOCBMCKTHX-INIZCTEOSA-N 1 3 246.398 3.117 20 0 BGADHO CCNCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000423248197 388030357 /nfs/dbraw/zinc/03/03/57/388030357.db2.gz QIQAHOCBMCKTHX-MRXNPFEDSA-N 1 3 246.398 3.117 20 0 BGADHO CCNCC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000423253924 388035239 /nfs/dbraw/zinc/03/52/39/388035239.db2.gz ZYQHMXOEDUNTNI-INIZCTEOSA-N 1 3 246.398 3.035 20 0 BGADHO CCNCC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000423253925 388035051 /nfs/dbraw/zinc/03/50/51/388035051.db2.gz ZYQHMXOEDUNTNI-MRXNPFEDSA-N 1 3 246.398 3.035 20 0 BGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000423264175 388042558 /nfs/dbraw/zinc/04/25/58/388042558.db2.gz BQHVLLXSAHNTBL-BLLLJJGKSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000423264176 388041411 /nfs/dbraw/zinc/04/14/11/388041411.db2.gz BQHVLLXSAHNTBL-LRDDRELGSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000423264177 388042198 /nfs/dbraw/zinc/04/21/98/388042198.db2.gz BQHVLLXSAHNTBL-MLGOLLRUSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000423264178 388042014 /nfs/dbraw/zinc/04/20/14/388042014.db2.gz BQHVLLXSAHNTBL-WBMJQRKESA-N 1 3 246.398 3.198 20 0 BGADHO CC[C@H]1CC[C@H]1[NH2+]CCNC1CCCCCC1 ZINC000423267663 388046127 /nfs/dbraw/zinc/04/61/27/388046127.db2.gz DADCABFMCLNZEP-DZGCQCFKSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]CCNC1CCCCCC1 ZINC000423267664 388045160 /nfs/dbraw/zinc/04/51/60/388045160.db2.gz DADCABFMCLNZEP-HIFRSBDPSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]CCNC1CCCCCC1 ZINC000423267665 388046457 /nfs/dbraw/zinc/04/64/57/388046457.db2.gz DADCABFMCLNZEP-UKRRQHHQSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@H]1CC[C@@H]1[NH2+]CCNC1CCCCCC1 ZINC000423267666 388046407 /nfs/dbraw/zinc/04/64/07/388046407.db2.gz DADCABFMCLNZEP-ZFWWWQNUSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1cccc(C)c1 ZINC000423267782 192661616 /nfs/dbraw/zinc/66/16/16/192661616.db2.gz FXGZDZKJBIFLNC-CABCVRRESA-N 1 3 234.387 3.019 20 0 BGADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1cccc(C)c1 ZINC000423267783 388046195 /nfs/dbraw/zinc/04/61/95/388046195.db2.gz FXGZDZKJBIFLNC-GJZGRUSLSA-N 1 3 234.387 3.019 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1cccc(C)c1 ZINC000423267784 388045615 /nfs/dbraw/zinc/04/56/15/388045615.db2.gz FXGZDZKJBIFLNC-HUUCEWRRSA-N 1 3 234.387 3.019 20 0 BGADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1cccc(C)c1 ZINC000423267785 388046148 /nfs/dbraw/zinc/04/61/48/388046148.db2.gz FXGZDZKJBIFLNC-LSDHHAIUSA-N 1 3 234.387 3.019 20 0 BGADHO C[NH2+]C[C@H](C)CN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000423269526 388048945 /nfs/dbraw/zinc/04/89/45/388048945.db2.gz HCMSWEJAJFVCKV-HEHGZKQESA-N 1 3 246.398 3.070 20 0 BGADHO C[NH2+]C[C@H](C)CN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000423269527 388049737 /nfs/dbraw/zinc/04/97/37/388049737.db2.gz HCMSWEJAJFVCKV-WOSRLPQWSA-N 1 3 246.398 3.070 20 0 BGADHO C[NH2+]C[C@H](C)CN[C@H]1CC[C@H](C)c2ccccc21 ZINC000423269528 388049647 /nfs/dbraw/zinc/04/96/47/388049647.db2.gz HCMSWEJAJFVCKV-XEZPLFJOSA-N 1 3 246.398 3.070 20 0 BGADHO C[NH2+]C[C@H](C)CN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000423269529 388049157 /nfs/dbraw/zinc/04/91/57/388049157.db2.gz HCMSWEJAJFVCKV-ZENOOKHLSA-N 1 3 246.398 3.070 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](N)C(C)C ZINC000423271009 388049831 /nfs/dbraw/zinc/04/98/31/388049831.db2.gz ILWVOVAHNZGHAW-BPLDGKMQSA-N 1 3 246.398 3.116 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](N)C(C)C ZINC000423271010 388049640 /nfs/dbraw/zinc/04/96/40/388049640.db2.gz ILWVOVAHNZGHAW-SNPRPXQTSA-N 1 3 246.398 3.116 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](N)C(C)C ZINC000423271011 388049609 /nfs/dbraw/zinc/04/96/09/388049609.db2.gz ILWVOVAHNZGHAW-VHDGCEQUSA-N 1 3 246.398 3.116 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](N)C(C)C ZINC000423271012 388048799 /nfs/dbraw/zinc/04/87/99/388048799.db2.gz ILWVOVAHNZGHAW-YUELXQCFSA-N 1 3 246.398 3.116 20 0 BGADHO CCC1CC([NH2+]CCNC2CCCCCC2)C1 ZINC000423271903 388051223 /nfs/dbraw/zinc/05/12/23/388051223.db2.gz HQRWSFSQDHLIQR-UHFFFAOYSA-N 1 3 238.419 3.077 20 0 BGADHO CNC[C@H](C)C[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000423271960 388051511 /nfs/dbraw/zinc/05/15/11/388051511.db2.gz JMJIUTFHLNROQP-BFHYXJOUSA-N 1 3 240.435 3.036 20 0 BGADHO CNC[C@H](C)C[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000423271961 388051971 /nfs/dbraw/zinc/05/19/71/388051971.db2.gz JMJIUTFHLNROQP-IHRRRGAJSA-N 1 3 240.435 3.036 20 0 BGADHO CNC[C@H](C)C[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000423271962 388051391 /nfs/dbraw/zinc/05/13/91/388051391.db2.gz JMJIUTFHLNROQP-MELADBBJSA-N 1 3 240.435 3.036 20 0 BGADHO CNC[C@H](C)C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000423271963 388051764 /nfs/dbraw/zinc/05/17/64/388051764.db2.gz JMJIUTFHLNROQP-MJBXVCDLSA-N 1 3 240.435 3.036 20 0 BGADHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1C ZINC000423272254 192664758 /nfs/dbraw/zinc/66/47/58/192664758.db2.gz JTIFFWRIJMIIGL-GDBMZVCRSA-N 1 3 248.414 3.246 20 0 BGADHO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1C ZINC000423272255 388051363 /nfs/dbraw/zinc/05/13/63/388051363.db2.gz JTIFFWRIJMIIGL-GOEBONIOSA-N 1 3 248.414 3.246 20 0 BGADHO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1C ZINC000423272256 388051101 /nfs/dbraw/zinc/05/11/01/388051101.db2.gz JTIFFWRIJMIIGL-HOCLYGCPSA-N 1 3 248.414 3.246 20 0 BGADHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1C ZINC000423272257 388050588 /nfs/dbraw/zinc/05/05/88/388050588.db2.gz JTIFFWRIJMIIGL-ZBFHGGJFSA-N 1 3 248.414 3.246 20 0 BGADHO CC1(C)CC[C@@H]1[NH2+]CCNC1CCCCCC1 ZINC000423273196 388054030 /nfs/dbraw/zinc/05/40/30/388054030.db2.gz IRYRSFQFCNHJEK-AWEZNQCLSA-N 1 3 238.419 3.077 20 0 BGADHO CC1(C)CC[C@H]1[NH2+]CCNC1CCCCCC1 ZINC000423273197 388054062 /nfs/dbraw/zinc/05/40/62/388054062.db2.gz IRYRSFQFCNHJEK-CQSZACIVSA-N 1 3 238.419 3.077 20 0 BGADHO CCC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccsc1 ZINC000423273599 388052896 /nfs/dbraw/zinc/05/28/96/388052896.db2.gz KSIIGXWJONNVNT-CHWSQXEVSA-N 1 3 240.416 3.162 20 0 BGADHO CCC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccsc1 ZINC000423273600 388053193 /nfs/dbraw/zinc/05/31/93/388053193.db2.gz KSIIGXWJONNVNT-OLZOCXBDSA-N 1 3 240.416 3.162 20 0 BGADHO CCC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccsc1 ZINC000423273601 388053896 /nfs/dbraw/zinc/05/38/96/388053896.db2.gz KSIIGXWJONNVNT-QWHCGFSZSA-N 1 3 240.416 3.162 20 0 BGADHO CCC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccsc1 ZINC000423273602 388053090 /nfs/dbraw/zinc/05/30/90/388053090.db2.gz KSIIGXWJONNVNT-STQMWFEESA-N 1 3 240.416 3.162 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423273775 388053298 /nfs/dbraw/zinc/05/32/98/388053298.db2.gz JJAKKMOCUIPMAD-AJNGGQMLSA-N 1 3 240.435 3.308 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423273776 388053362 /nfs/dbraw/zinc/05/33/62/388053362.db2.gz JJAKKMOCUIPMAD-LJISPDSOSA-N 1 3 240.435 3.308 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423273777 388053561 /nfs/dbraw/zinc/05/35/61/388053561.db2.gz JJAKKMOCUIPMAD-XGUBFFRZSA-N 1 3 240.435 3.308 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423273778 388053785 /nfs/dbraw/zinc/05/37/85/388053785.db2.gz JJAKKMOCUIPMAD-ZQDZILKHSA-N 1 3 240.435 3.308 20 0 BGADHO CCc1ccc([C@H](CC)NC[C@@H](C)C[NH2+]C)cc1 ZINC000423274254 388053494 /nfs/dbraw/zinc/05/34/94/388053494.db2.gz LQNOWGVKZHDTCQ-BBRMVZONSA-N 1 3 248.414 3.145 20 0 BGADHO CCc1ccc([C@H](CC)NC[C@H](C)C[NH2+]C)cc1 ZINC000423274255 388054480 /nfs/dbraw/zinc/05/44/80/388054480.db2.gz LQNOWGVKZHDTCQ-CJNGLKHVSA-N 1 3 248.414 3.145 20 0 BGADHO CCc1ccc([C@@H](CC)NC[C@H](C)C[NH2+]C)cc1 ZINC000423274256 388055061 /nfs/dbraw/zinc/05/50/61/388055061.db2.gz LQNOWGVKZHDTCQ-CZUORRHYSA-N 1 3 248.414 3.145 20 0 BGADHO CCc1ccc([C@@H](CC)NC[C@@H](C)C[NH2+]C)cc1 ZINC000423274257 388055911 /nfs/dbraw/zinc/05/59/11/388055911.db2.gz LQNOWGVKZHDTCQ-XJKSGUPXSA-N 1 3 248.414 3.145 20 0 BGADHO CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000423274803 388054444 /nfs/dbraw/zinc/05/44/44/388054444.db2.gz MMNGQKWSPVIZBT-DAXOMENPSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@@H](N)C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000423274804 388055013 /nfs/dbraw/zinc/05/50/13/388055013.db2.gz MMNGQKWSPVIZBT-KCXAZCMYSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000423274805 388054354 /nfs/dbraw/zinc/05/43/54/388054354.db2.gz MMNGQKWSPVIZBT-UHOFOFEASA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@H](N)C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000423274806 388054772 /nfs/dbraw/zinc/05/47/72/388054772.db2.gz MMNGQKWSPVIZBT-WQVCFCJDSA-N 1 3 246.398 3.198 20 0 BGADHO CCCC[C@@H](NC[C@H](C)C[NH2+]C)c1ccccc1 ZINC000423275152 388054844 /nfs/dbraw/zinc/05/48/44/388054844.db2.gz MPQUROAQQDLBHF-GDBMZVCRSA-N 1 3 248.414 3.363 20 0 BGADHO CCCC[C@@H](NC[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000423275153 388055163 /nfs/dbraw/zinc/05/51/63/388055163.db2.gz MPQUROAQQDLBHF-GOEBONIOSA-N 1 3 248.414 3.363 20 0 BGADHO CCCC[C@H](NC[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000423275154 388055788 /nfs/dbraw/zinc/05/57/88/388055788.db2.gz MPQUROAQQDLBHF-HOCLYGCPSA-N 1 3 248.414 3.363 20 0 BGADHO CCCC[C@H](NC[C@H](C)C[NH2+]C)c1ccccc1 ZINC000423275155 388056659 /nfs/dbraw/zinc/05/66/59/388056659.db2.gz MPQUROAQQDLBHF-ZBFHGGJFSA-N 1 3 248.414 3.363 20 0 BGADHO C[NH2+]C[C@@H](C)CN[C@H](CC(C)C)c1ccccc1 ZINC000423275513 388056716 /nfs/dbraw/zinc/05/67/16/388056716.db2.gz NFCAWOWHRVFJNA-GDBMZVCRSA-N 1 3 248.414 3.219 20 0 BGADHO C[NH2+]C[C@H](C)CN[C@H](CC(C)C)c1ccccc1 ZINC000423275514 388056104 /nfs/dbraw/zinc/05/61/04/388056104.db2.gz NFCAWOWHRVFJNA-GOEBONIOSA-N 1 3 248.414 3.219 20 0 BGADHO C[NH2+]C[C@H](C)CN[C@@H](CC(C)C)c1ccccc1 ZINC000423275515 388057525 /nfs/dbraw/zinc/05/75/25/388057525.db2.gz NFCAWOWHRVFJNA-HOCLYGCPSA-N 1 3 248.414 3.219 20 0 BGADHO C[NH2+]C[C@@H](C)CN[C@@H](CC(C)C)c1ccccc1 ZINC000423275516 388057572 /nfs/dbraw/zinc/05/75/72/388057572.db2.gz NFCAWOWHRVFJNA-ZBFHGGJFSA-N 1 3 248.414 3.219 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423276004 388056946 /nfs/dbraw/zinc/05/69/46/388056946.db2.gz NWTOMROUJZVBHW-BBRMVZONSA-N 1 3 248.414 3.444 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423276005 388056954 /nfs/dbraw/zinc/05/69/54/388056954.db2.gz NWTOMROUJZVBHW-CJNGLKHVSA-N 1 3 248.414 3.444 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423276006 388056375 /nfs/dbraw/zinc/05/63/75/388056375.db2.gz NWTOMROUJZVBHW-CZUORRHYSA-N 1 3 248.414 3.444 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423276007 388057217 /nfs/dbraw/zinc/05/72/17/388057217.db2.gz NWTOMROUJZVBHW-XJKSGUPXSA-N 1 3 248.414 3.444 20 0 BGADHO C[C@@H]([NH2+]CCNC1CCCCCC1)C1(C)CC1 ZINC000423276468 388058838 /nfs/dbraw/zinc/05/88/38/388058838.db2.gz MWYCFEWNADRZKT-CYBMUJFWSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H]([NH2+]CCNC1CCCCCC1)C1(C)CC1 ZINC000423276469 388057743 /nfs/dbraw/zinc/05/77/43/388057743.db2.gz MWYCFEWNADRZKT-ZDUSSCGKSA-N 1 3 238.419 3.077 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423277132 388058281 /nfs/dbraw/zinc/05/82/81/388058281.db2.gz PGYUYTCYBDQBHF-KKUMJFAQSA-N 1 3 238.419 3.228 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423277133 388058206 /nfs/dbraw/zinc/05/82/06/388058206.db2.gz PGYUYTCYBDQBHF-RRFJBIMHSA-N 1 3 238.419 3.228 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423277134 388058358 /nfs/dbraw/zinc/05/83/58/388058358.db2.gz PGYUYTCYBDQBHF-SOUVJXGZSA-N 1 3 238.419 3.228 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423277135 388057752 /nfs/dbraw/zinc/05/77/52/388057752.db2.gz PGYUYTCYBDQBHF-ZNMIVQPWSA-N 1 3 238.419 3.228 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423279331 388060173 /nfs/dbraw/zinc/06/01/73/388060173.db2.gz RJJNXSYZUHOAHG-AJNGGQMLSA-N 1 3 240.435 3.308 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423279332 388059963 /nfs/dbraw/zinc/05/99/63/388059963.db2.gz RJJNXSYZUHOAHG-BYNSBNAKSA-N 1 3 240.435 3.308 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423279333 388060275 /nfs/dbraw/zinc/06/02/75/388060275.db2.gz RJJNXSYZUHOAHG-XQLPTFJDSA-N 1 3 240.435 3.308 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423279334 388060607 /nfs/dbraw/zinc/06/06/07/388060607.db2.gz RJJNXSYZUHOAHG-ZQDZILKHSA-N 1 3 240.435 3.308 20 0 BGADHO CCC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccccc1 ZINC000423279523 388060989 /nfs/dbraw/zinc/06/09/89/388060989.db2.gz SFAWJBREPQCTDN-CABCVRRESA-N 1 3 234.387 3.101 20 0 BGADHO CCC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccccc1 ZINC000423279524 388059982 /nfs/dbraw/zinc/05/99/82/388059982.db2.gz SFAWJBREPQCTDN-GJZGRUSLSA-N 1 3 234.387 3.101 20 0 BGADHO CCC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccccc1 ZINC000423279525 388061955 /nfs/dbraw/zinc/06/19/55/388061955.db2.gz SFAWJBREPQCTDN-HUUCEWRRSA-N 1 3 234.387 3.101 20 0 BGADHO CCC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccccc1 ZINC000423279526 388061486 /nfs/dbraw/zinc/06/14/86/388061486.db2.gz SFAWJBREPQCTDN-LSDHHAIUSA-N 1 3 234.387 3.101 20 0 BGADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(C)cc1 ZINC000423279787 388062587 /nfs/dbraw/zinc/06/25/87/388062587.db2.gz SMNAGMQQHNDJIV-CABCVRRESA-N 1 3 234.387 3.019 20 0 BGADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccc(C)cc1 ZINC000423279788 388061388 /nfs/dbraw/zinc/06/13/88/388061388.db2.gz SMNAGMQQHNDJIV-GJZGRUSLSA-N 1 3 234.387 3.019 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(C)cc1 ZINC000423279789 388062048 /nfs/dbraw/zinc/06/20/48/388062048.db2.gz SMNAGMQQHNDJIV-HUUCEWRRSA-N 1 3 234.387 3.019 20 0 BGADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccc(C)cc1 ZINC000423279790 388061928 /nfs/dbraw/zinc/06/19/28/388061928.db2.gz SMNAGMQQHNDJIV-LSDHHAIUSA-N 1 3 234.387 3.019 20 0 BGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)c1cc(C)c(C)cc1C ZINC000423280606 388062008 /nfs/dbraw/zinc/06/20/08/388062008.db2.gz UXFPXWUREXBOCV-ABAIWWIYSA-N 1 3 248.414 3.118 20 0 BGADHO C[NH2+]C[C@@H](C)CN[C@H](C)c1cc(C)c(C)cc1C ZINC000423280607 388061941 /nfs/dbraw/zinc/06/19/41/388061941.db2.gz UXFPXWUREXBOCV-IAQYHMDHSA-N 1 3 248.414 3.118 20 0 BGADHO C[NH2+]C[C@H](C)CN[C@@H](C)c1cc(C)c(C)cc1C ZINC000423280608 388061400 /nfs/dbraw/zinc/06/14/00/388061400.db2.gz UXFPXWUREXBOCV-NHYWBVRUSA-N 1 3 248.414 3.118 20 0 BGADHO C[NH2+]C[C@H](C)CN[C@H](C)c1cc(C)c(C)cc1C ZINC000423280609 388062092 /nfs/dbraw/zinc/06/20/92/388062092.db2.gz UXFPXWUREXBOCV-XHDPSFHLSA-N 1 3 248.414 3.118 20 0 BGADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc2ccccc2c1 ZINC000423281219 388063658 /nfs/dbraw/zinc/06/36/58/388063658.db2.gz AYRIQTPZUSJPOW-GFCCVEGCSA-N 1 3 242.366 3.228 20 0 BGADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc2ccccc2c1 ZINC000423281220 388063955 /nfs/dbraw/zinc/06/39/55/388063955.db2.gz AYRIQTPZUSJPOW-LBPRGKRZSA-N 1 3 242.366 3.228 20 0 BGADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000423281637 388063558 /nfs/dbraw/zinc/06/35/58/388063558.db2.gz VWBCRDVPSJCZNQ-BFHYXJOUSA-N 1 3 240.435 3.036 20 0 BGADHO CNC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000423281639 388064282 /nfs/dbraw/zinc/06/42/82/388064282.db2.gz VWBCRDVPSJCZNQ-IHRRRGAJSA-N 1 3 240.435 3.036 20 0 BGADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000423281641 388063393 /nfs/dbraw/zinc/06/33/93/388063393.db2.gz VWBCRDVPSJCZNQ-MELADBBJSA-N 1 3 240.435 3.036 20 0 BGADHO CNC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000423281642 388063572 /nfs/dbraw/zinc/06/35/72/388063572.db2.gz VWBCRDVPSJCZNQ-MJBXVCDLSA-N 1 3 240.435 3.036 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000423281803 388064162 /nfs/dbraw/zinc/06/41/62/388064162.db2.gz BUJMLCQZUJPELP-HNNXBMFYSA-N 1 3 248.414 3.491 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000423281804 388063229 /nfs/dbraw/zinc/06/32/29/388063229.db2.gz BUJMLCQZUJPELP-OAHLLOKOSA-N 1 3 248.414 3.491 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000423282892 388065340 /nfs/dbraw/zinc/06/53/40/388065340.db2.gz DGSHWAMBAZXZFT-AWEZNQCLSA-N 1 3 248.414 3.472 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000423282893 388066032 /nfs/dbraw/zinc/06/60/32/388066032.db2.gz DGSHWAMBAZXZFT-CQSZACIVSA-N 1 3 248.414 3.472 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000423283175 388065152 /nfs/dbraw/zinc/06/51/52/388065152.db2.gz DTPKMRLMEXVMKY-LLVKDONJSA-N 1 3 240.416 3.225 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423283176 388065161 /nfs/dbraw/zinc/06/51/61/388065161.db2.gz DTPKMRLMEXVMKY-NSHDSACASA-N 1 3 240.416 3.225 20 0 BGADHO C[C@H]([NH2+]CC(C)(C)N)c1cc2ccccc2s1 ZINC000423283177 388065064 /nfs/dbraw/zinc/06/50/64/388065064.db2.gz DTUWEYNKWMEUJJ-JTQLQIEISA-N 1 3 248.395 3.289 20 0 BGADHO C[C@@H]([NH2+]CC(C)(C)N)c1cc2ccccc2s1 ZINC000423283178 388066128 /nfs/dbraw/zinc/06/61/28/388066128.db2.gz DTUWEYNKWMEUJJ-SNVBAGLBSA-N 1 3 248.395 3.289 20 0 BGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC(C)(C)N ZINC000423283468 388065893 /nfs/dbraw/zinc/06/58/93/388065893.db2.gz FGDCKRWJDWWLQS-AWEZNQCLSA-N 1 3 246.398 3.008 20 0 BGADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC(C)(C)N ZINC000423283469 388065407 /nfs/dbraw/zinc/06/54/07/388065407.db2.gz FGDCKRWJDWWLQS-CQSZACIVSA-N 1 3 246.398 3.008 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H]1CCCc2ccccc21 ZINC000423283503 388065571 /nfs/dbraw/zinc/06/55/71/388065571.db2.gz FJUMRKLNANNNHF-HNNXBMFYSA-N 1 3 246.398 3.171 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000423283504 388065774 /nfs/dbraw/zinc/06/57/74/388065774.db2.gz FJUMRKLNANNNHF-OAHLLOKOSA-N 1 3 246.398 3.171 20 0 BGADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1cccs1 ZINC000423283532 388065663 /nfs/dbraw/zinc/06/56/63/388065663.db2.gz FOWUSZYLIAFNAQ-LLVKDONJSA-N 1 3 240.416 3.306 20 0 BGADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1cccs1 ZINC000423283533 388065832 /nfs/dbraw/zinc/06/58/32/388065832.db2.gz FOWUSZYLIAFNAQ-NSHDSACASA-N 1 3 240.416 3.306 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](C)c1sccc1C ZINC000423286228 388066524 /nfs/dbraw/zinc/06/65/24/388066524.db2.gz GDGXNPJXIVFSMM-LLVKDONJSA-N 1 3 240.416 3.225 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1sccc1C ZINC000423286229 388066457 /nfs/dbraw/zinc/06/64/57/388066457.db2.gz GDGXNPJXIVFSMM-NSHDSACASA-N 1 3 240.416 3.225 20 0 BGADHO CC(C)(N)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423286260 388071063 /nfs/dbraw/zinc/07/10/63/388071063.db2.gz GHTPSHMDSQSEIQ-HNNXBMFYSA-N 1 3 246.398 3.245 20 0 BGADHO CC(C)(N)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423286261 388070584 /nfs/dbraw/zinc/07/05/84/388070584.db2.gz GHTPSHMDSQSEIQ-OAHLLOKOSA-N 1 3 246.398 3.245 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423286515 388070311 /nfs/dbraw/zinc/07/03/11/388070311.db2.gz HSUYGZXMXXQRQS-HNNXBMFYSA-N 1 3 246.398 3.089 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423286516 388071545 /nfs/dbraw/zinc/07/15/45/388071545.db2.gz HSUYGZXMXXQRQS-OAHLLOKOSA-N 1 3 246.398 3.089 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000423286764 388072067 /nfs/dbraw/zinc/07/20/67/388072067.db2.gz IOJAIHJIGVECSK-DOMZBBRYSA-N 1 3 246.398 3.027 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000423286765 388071673 /nfs/dbraw/zinc/07/16/73/388071673.db2.gz IOJAIHJIGVECSK-IUODEOHRSA-N 1 3 246.398 3.027 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000423286766 388071517 /nfs/dbraw/zinc/07/15/17/388071517.db2.gz IOJAIHJIGVECSK-SWLSCSKDSA-N 1 3 246.398 3.027 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000423286767 388071796 /nfs/dbraw/zinc/07/17/96/388071796.db2.gz IOJAIHJIGVECSK-WFASDCNBSA-N 1 3 246.398 3.027 20 0 BGADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccccc1 ZINC000423286775 388070599 /nfs/dbraw/zinc/07/05/99/388070599.db2.gz IPTDDFZHLKOVMW-AWEZNQCLSA-N 1 3 234.387 3.245 20 0 BGADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccccc1 ZINC000423286776 388071201 /nfs/dbraw/zinc/07/12/01/388071201.db2.gz IPTDDFZHLKOVMW-CQSZACIVSA-N 1 3 234.387 3.245 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000423286805 388071294 /nfs/dbraw/zinc/07/12/94/388071294.db2.gz IWHCSFSAJUJUED-CYBMUJFWSA-N 1 3 234.387 3.163 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000423286806 388071114 /nfs/dbraw/zinc/07/11/14/388071114.db2.gz IWHCSFSAJUJUED-ZDUSSCGKSA-N 1 3 234.387 3.163 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423287366 388071471 /nfs/dbraw/zinc/07/14/71/388071471.db2.gz LTCFXYOWDNTGIK-CYBMUJFWSA-N 1 3 234.387 3.163 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000423287367 388071324 /nfs/dbraw/zinc/07/13/24/388071324.db2.gz LTCFXYOWDNTGIK-ZDUSSCGKSA-N 1 3 234.387 3.163 20 0 BGADHO CC(C)(N)C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423287555 388071717 /nfs/dbraw/zinc/07/17/17/388071717.db2.gz MWWRWKRMJMADAH-AWEZNQCLSA-N 1 3 246.398 3.126 20 0 BGADHO CC(C)(N)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423287556 388071822 /nfs/dbraw/zinc/07/18/22/388071822.db2.gz MWWRWKRMJMADAH-CQSZACIVSA-N 1 3 246.398 3.126 20 0 BGADHO CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)N)c2ccccc21 ZINC000423287885 388073009 /nfs/dbraw/zinc/07/30/09/388073009.db2.gz PBOAIIRHKBKZQK-CABCVRRESA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)N)c2ccccc21 ZINC000423287886 388072802 /nfs/dbraw/zinc/07/28/02/388072802.db2.gz PBOAIIRHKBKZQK-GJZGRUSLSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)N)c2ccccc21 ZINC000423287887 388072863 /nfs/dbraw/zinc/07/28/63/388072863.db2.gz PBOAIIRHKBKZQK-HUUCEWRRSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)N)c2ccccc21 ZINC000423287888 388073080 /nfs/dbraw/zinc/07/30/80/388073080.db2.gz PBOAIIRHKBKZQK-LSDHHAIUSA-N 1 3 246.398 3.198 20 0 BGADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccccc1C(C)(C)C ZINC000423288101 388073031 /nfs/dbraw/zinc/07/30/31/388073031.db2.gz QNUCUUGZQQSOLT-GFCCVEGCSA-N 1 3 248.414 3.372 20 0 BGADHO C[C@H]([NH2+]CC(C)(C)N)c1ccccc1C(C)(C)C ZINC000423288102 388072935 /nfs/dbraw/zinc/07/29/35/388072935.db2.gz QNUCUUGZQQSOLT-LBPRGKRZSA-N 1 3 248.414 3.372 20 0 BGADHO CCc1ccc([C@H](CC)[NH2+]CC(C)(C)N)cc1 ZINC000423288146 388073732 /nfs/dbraw/zinc/07/37/32/388073732.db2.gz QSRDXIXDFOHBMQ-AWEZNQCLSA-N 1 3 234.387 3.027 20 0 BGADHO CCc1ccc([C@@H](CC)[NH2+]CC(C)(C)N)cc1 ZINC000423288147 388072860 /nfs/dbraw/zinc/07/28/60/388072860.db2.gz QSRDXIXDFOHBMQ-CQSZACIVSA-N 1 3 234.387 3.027 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423288474 388072857 /nfs/dbraw/zinc/07/28/57/388072857.db2.gz SHLISWBDYUXUKK-GFCCVEGCSA-N 1 3 234.387 3.027 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423288475 388072601 /nfs/dbraw/zinc/07/26/01/388072601.db2.gz SHLISWBDYUXUKK-LBPRGKRZSA-N 1 3 234.387 3.027 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccccc1C ZINC000423288508 388073213 /nfs/dbraw/zinc/07/32/13/388073213.db2.gz SMRPDXCNHXVJDT-CYBMUJFWSA-N 1 3 234.387 3.163 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccccc1C ZINC000423288509 388073544 /nfs/dbraw/zinc/07/35/44/388073544.db2.gz SMRPDXCNHXVJDT-ZDUSSCGKSA-N 1 3 234.387 3.163 20 0 BGADHO CC(C)Cc1cccc([C@@H](C)[NH2+]CC(C)(C)N)c1 ZINC000423289207 388074104 /nfs/dbraw/zinc/07/41/04/388074104.db2.gz WLKZCTXUJNKPER-CYBMUJFWSA-N 1 3 248.414 3.273 20 0 BGADHO CC(C)Cc1cccc([C@H](C)[NH2+]CC(C)(C)N)c1 ZINC000423289208 388074410 /nfs/dbraw/zinc/07/44/10/388074410.db2.gz WLKZCTXUJNKPER-ZDUSSCGKSA-N 1 3 248.414 3.273 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000423289518 388074472 /nfs/dbraw/zinc/07/44/72/388074472.db2.gz XHNUNPHLXRNXQE-HNNXBMFYSA-N 1 3 246.398 3.245 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000423289519 388074036 /nfs/dbraw/zinc/07/40/36/388074036.db2.gz XHNUNPHLXRNXQE-OAHLLOKOSA-N 1 3 246.398 3.245 20 0 BGADHO CCCC[C@H]([NH2+]CC(C)(C)N)c1ccccc1 ZINC000423289609 388074569 /nfs/dbraw/zinc/07/45/69/388074569.db2.gz XVQFZTKACLBJOC-AWEZNQCLSA-N 1 3 234.387 3.245 20 0 BGADHO CCCC[C@@H]([NH2+]CC(C)(C)N)c1ccccc1 ZINC000423289610 388074465 /nfs/dbraw/zinc/07/44/65/388074465.db2.gz XVQFZTKACLBJOC-CQSZACIVSA-N 1 3 234.387 3.245 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H]1CCc2c1cccc2C ZINC000423289768 388074117 /nfs/dbraw/zinc/07/41/17/388074117.db2.gz YEHRVHGBKMOBPR-HNNXBMFYSA-N 1 3 246.398 3.089 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000423289769 388074209 /nfs/dbraw/zinc/07/42/09/388074209.db2.gz YEHRVHGBKMOBPR-OAHLLOKOSA-N 1 3 246.398 3.089 20 0 BGADHO CC(C)C[C@@H]([NH2+]CC(C)(C)N)c1cccs1 ZINC000423290393 388074933 /nfs/dbraw/zinc/07/49/33/388074933.db2.gz ZYDFRFHFBYHAFZ-LLVKDONJSA-N 1 3 240.416 3.162 20 0 BGADHO CC(C)C[C@H]([NH2+]CC(C)(C)N)c1cccs1 ZINC000423290394 388074321 /nfs/dbraw/zinc/07/43/21/388074321.db2.gz ZYDFRFHFBYHAFZ-NSHDSACASA-N 1 3 240.416 3.162 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423291898 388075409 /nfs/dbraw/zinc/07/54/09/388075409.db2.gz KLPFQDBTORXVIA-DOMZBBRYSA-N 1 3 246.398 3.342 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423291899 388075425 /nfs/dbraw/zinc/07/54/25/388075425.db2.gz KLPFQDBTORXVIA-IUODEOHRSA-N 1 3 246.398 3.342 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423291900 388076290 /nfs/dbraw/zinc/07/62/90/388076290.db2.gz KLPFQDBTORXVIA-SWLSCSKDSA-N 1 3 246.398 3.342 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423291901 388076360 /nfs/dbraw/zinc/07/63/60/388076360.db2.gz KLPFQDBTORXVIA-WFASDCNBSA-N 1 3 246.398 3.342 20 0 BGADHO C[C@@H](C[NH3+])CN[C@@H](c1ccccc1)C1CCCC1 ZINC000423293508 388076504 /nfs/dbraw/zinc/07/65/04/388076504.db2.gz AASLKZCHBBLXEK-BBRMVZONSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@@H](CN)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000423293508 388076503 /nfs/dbraw/zinc/07/65/03/388076503.db2.gz AASLKZCHBBLXEK-BBRMVZONSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](C[NH3+])CN[C@@H](c1ccccc1)C1CCCC1 ZINC000423293511 388075663 /nfs/dbraw/zinc/07/56/63/388075663.db2.gz AASLKZCHBBLXEK-CJNGLKHVSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](CN)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000423293511 388075659 /nfs/dbraw/zinc/07/56/59/388075659.db2.gz AASLKZCHBBLXEK-CJNGLKHVSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](C[NH3+])CN[C@H](c1ccccc1)C1CCCC1 ZINC000423293512 388075950 /nfs/dbraw/zinc/07/59/50/388075950.db2.gz AASLKZCHBBLXEK-CZUORRHYSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](CN)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000423293512 388075946 /nfs/dbraw/zinc/07/59/46/388075946.db2.gz AASLKZCHBBLXEK-CZUORRHYSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@@H](C[NH3+])CN[C@H](c1ccccc1)C1CCCC1 ZINC000423293514 388076386 /nfs/dbraw/zinc/07/63/86/388076386.db2.gz AASLKZCHBBLXEK-XJKSGUPXSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@@H](CN)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000423293514 388076384 /nfs/dbraw/zinc/07/63/84/388076384.db2.gz AASLKZCHBBLXEK-XJKSGUPXSA-N 1 3 246.398 3.102 20 0 BGADHO CC(C)C[C@H](NC[C@H](C)C[NH3+])c1cccs1 ZINC000423295575 388077764 /nfs/dbraw/zinc/07/77/64/388077764.db2.gz FHJYJAKOZFKVHV-NEPJUHHUSA-N 1 3 240.416 3.020 20 0 BGADHO CC(C)C[C@@H](NC[C@@H](C)C[NH3+])c1cccs1 ZINC000423295576 192684999 /nfs/dbraw/zinc/68/49/99/192684999.db2.gz FHJYJAKOZFKVHV-NWDGAFQWSA-N 1 3 240.416 3.020 20 0 BGADHO CC(C)C[C@H](NC[C@@H](C)C[NH3+])c1cccs1 ZINC000423295577 388076885 /nfs/dbraw/zinc/07/68/85/388076885.db2.gz FHJYJAKOZFKVHV-RYUDHWBXSA-N 1 3 240.416 3.020 20 0 BGADHO CC(C)C[C@@H](NC[C@H](C)C[NH3+])c1cccs1 ZINC000423295578 388077347 /nfs/dbraw/zinc/07/73/47/388077347.db2.gz FHJYJAKOZFKVHV-VXGBXAGGSA-N 1 3 240.416 3.020 20 0 BGADHO C[C@H](C[NH3+])CN[C@H](C)c1ccccc1C(C)(C)C ZINC000423298346 388079499 /nfs/dbraw/zinc/07/94/99/388079499.db2.gz ODHVNRKWSXLSCC-CHWSQXEVSA-N 1 3 248.414 3.230 20 0 BGADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccccc1C(C)(C)C ZINC000423298347 192686631 /nfs/dbraw/zinc/68/66/31/192686631.db2.gz ODHVNRKWSXLSCC-OLZOCXBDSA-N 1 3 248.414 3.230 20 0 BGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccccc1C(C)(C)C ZINC000423298348 388079316 /nfs/dbraw/zinc/07/93/16/388079316.db2.gz ODHVNRKWSXLSCC-QWHCGFSZSA-N 1 3 248.414 3.230 20 0 BGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccccc1C(C)(C)C ZINC000423298349 388080062 /nfs/dbraw/zinc/08/00/62/388080062.db2.gz ODHVNRKWSXLSCC-STQMWFEESA-N 1 3 248.414 3.230 20 0 BGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](C)CN ZINC000423299939 387132996 /nfs/dbraw/zinc/13/29/96/387132996.db2.gz QOEXEDCXWJYIIB-BBRMVZONSA-N 1 3 248.414 3.267 20 0 BGADHO Cc1ccccc1[C@H](CC(C)C)NC[C@@H](C)C[NH3+] ZINC000423299939 387132992 /nfs/dbraw/zinc/13/29/92/387132992.db2.gz QOEXEDCXWJYIIB-BBRMVZONSA-N 1 3 248.414 3.267 20 0 BGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](C)CN ZINC000423299940 387132443 /nfs/dbraw/zinc/13/24/43/387132443.db2.gz QOEXEDCXWJYIIB-CJNGLKHVSA-N 1 3 248.414 3.267 20 0 BGADHO Cc1ccccc1[C@H](CC(C)C)NC[C@H](C)C[NH3+] ZINC000423299940 387132439 /nfs/dbraw/zinc/13/24/39/387132439.db2.gz QOEXEDCXWJYIIB-CJNGLKHVSA-N 1 3 248.414 3.267 20 0 BGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](C)CN ZINC000423299941 387131667 /nfs/dbraw/zinc/13/16/67/387131667.db2.gz QOEXEDCXWJYIIB-CZUORRHYSA-N 1 3 248.414 3.267 20 0 BGADHO Cc1ccccc1[C@@H](CC(C)C)NC[C@H](C)C[NH3+] ZINC000423299941 387131661 /nfs/dbraw/zinc/13/16/61/387131661.db2.gz QOEXEDCXWJYIIB-CZUORRHYSA-N 1 3 248.414 3.267 20 0 BGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](C)CN ZINC000423299942 387132319 /nfs/dbraw/zinc/13/23/19/387132319.db2.gz QOEXEDCXWJYIIB-XJKSGUPXSA-N 1 3 248.414 3.267 20 0 BGADHO Cc1ccccc1[C@@H](CC(C)C)NC[C@@H](C)C[NH3+] ZINC000423299942 387132318 /nfs/dbraw/zinc/13/23/18/387132318.db2.gz QOEXEDCXWJYIIB-XJKSGUPXSA-N 1 3 248.414 3.267 20 0 BGADHO Cc1ccc([C@@H]([NH2+]C[C@@H](C)CN)C2CCC2)cc1 ZINC000423300274 192688428 /nfs/dbraw/zinc/68/84/28/192688428.db2.gz DEBODTNVLPAYET-BBRMVZONSA-N 1 3 246.398 3.021 20 0 BGADHO Cc1ccc([C@@H](NC[C@@H](C)C[NH3+])C2CCC2)cc1 ZINC000423300274 192688425 /nfs/dbraw/zinc/68/84/25/192688425.db2.gz DEBODTNVLPAYET-BBRMVZONSA-N 1 3 246.398 3.021 20 0 BGADHO Cc1ccc([C@@H]([NH2+]C[C@H](C)CN)C2CCC2)cc1 ZINC000423300275 387132597 /nfs/dbraw/zinc/13/25/97/387132597.db2.gz DEBODTNVLPAYET-CJNGLKHVSA-N 1 3 246.398 3.021 20 0 BGADHO Cc1ccc([C@@H](NC[C@H](C)C[NH3+])C2CCC2)cc1 ZINC000423300275 387132593 /nfs/dbraw/zinc/13/25/93/387132593.db2.gz DEBODTNVLPAYET-CJNGLKHVSA-N 1 3 246.398 3.021 20 0 BGADHO Cc1ccc([C@H]([NH2+]C[C@H](C)CN)C2CCC2)cc1 ZINC000423300276 387133356 /nfs/dbraw/zinc/13/33/56/387133356.db2.gz DEBODTNVLPAYET-CZUORRHYSA-N 1 3 246.398 3.021 20 0 BGADHO Cc1ccc([C@H](NC[C@H](C)C[NH3+])C2CCC2)cc1 ZINC000423300276 387133352 /nfs/dbraw/zinc/13/33/52/387133352.db2.gz DEBODTNVLPAYET-CZUORRHYSA-N 1 3 246.398 3.021 20 0 BGADHO Cc1ccc([C@H]([NH2+]C[C@@H](C)CN)C2CCC2)cc1 ZINC000423300277 387133188 /nfs/dbraw/zinc/13/31/88/387133188.db2.gz DEBODTNVLPAYET-XJKSGUPXSA-N 1 3 246.398 3.021 20 0 BGADHO Cc1ccc([C@H](NC[C@@H](C)C[NH3+])C2CCC2)cc1 ZINC000423300277 387133182 /nfs/dbraw/zinc/13/31/82/387133182.db2.gz DEBODTNVLPAYET-XJKSGUPXSA-N 1 3 246.398 3.021 20 0 BGADHO CC(C)Cc1cccc([C@H](C)NC[C@@H](C)C[NH3+])c1 ZINC000423301751 387133986 /nfs/dbraw/zinc/13/39/86/387133986.db2.gz GHPIYXIZAKBICZ-KBPBESRZSA-N 1 3 248.414 3.131 20 0 BGADHO CC(C)Cc1cccc([C@H](C)NC[C@H](C)C[NH3+])c1 ZINC000423301752 387134801 /nfs/dbraw/zinc/13/48/01/387134801.db2.gz GHPIYXIZAKBICZ-KGLIPLIRSA-N 1 3 248.414 3.131 20 0 BGADHO CC(C)Cc1cccc([C@@H](C)NC[C@@H](C)C[NH3+])c1 ZINC000423301753 387134731 /nfs/dbraw/zinc/13/47/31/387134731.db2.gz GHPIYXIZAKBICZ-UONOGXRCSA-N 1 3 248.414 3.131 20 0 BGADHO CC(C)Cc1cccc([C@@H](C)NC[C@H](C)C[NH3+])c1 ZINC000423301754 387134084 /nfs/dbraw/zinc/13/40/84/387134084.db2.gz GHPIYXIZAKBICZ-ZIAGYGMSSA-N 1 3 248.414 3.131 20 0 BGADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000423301987 192691374 /nfs/dbraw/zinc/69/13/74/192691374.db2.gz UWEOYGPRAXDCFX-BDAKNGLRSA-N 1 3 246.807 3.037 20 0 BGADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000423301988 387133965 /nfs/dbraw/zinc/13/39/65/387133965.db2.gz UWEOYGPRAXDCFX-DTWKUNHWSA-N 1 3 246.807 3.037 20 0 BGADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000423301989 192690870 /nfs/dbraw/zinc/69/08/70/192690870.db2.gz UWEOYGPRAXDCFX-IUCAKERBSA-N 1 3 246.807 3.037 20 0 BGADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000423301990 387135746 /nfs/dbraw/zinc/13/57/46/387135746.db2.gz UWEOYGPRAXDCFX-RKDXNWHRSA-N 1 3 246.807 3.037 20 0 BGADHO C[C@H](C[NH3+])CN[C@H](C)c1cc2ccccc2s1 ZINC000423302376 387135585 /nfs/dbraw/zinc/13/55/85/387135585.db2.gz HHDDQZBRZXLLQF-GHMZBOCLSA-N 1 3 248.395 3.147 20 0 BGADHO C[C@H](C[NH3+])CN[C@@H](C)c1cc2ccccc2s1 ZINC000423302377 387135473 /nfs/dbraw/zinc/13/54/73/387135473.db2.gz HHDDQZBRZXLLQF-MNOVXSKESA-N 1 3 248.395 3.147 20 0 BGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1cc2ccccc2s1 ZINC000423302378 387134740 /nfs/dbraw/zinc/13/47/40/387134740.db2.gz HHDDQZBRZXLLQF-QWRGUYRKSA-N 1 3 248.395 3.147 20 0 BGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1cc2ccccc2s1 ZINC000423302379 387135661 /nfs/dbraw/zinc/13/56/61/387135661.db2.gz HHDDQZBRZXLLQF-WDEREUQCSA-N 1 3 248.395 3.147 20 0 BGADHO CCCC[C@@H](NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000423302905 387137455 /nfs/dbraw/zinc/13/74/55/387137455.db2.gz WIOHCXUFAQLTRD-DZGCQCFKSA-N 1 3 234.387 3.102 20 0 BGADHO CCCC[C@H](NC[C@H](C)C[NH3+])c1ccccc1 ZINC000423302906 387138227 /nfs/dbraw/zinc/13/82/27/387138227.db2.gz WIOHCXUFAQLTRD-HIFRSBDPSA-N 1 3 234.387 3.102 20 0 BGADHO CCCC[C@@H](NC[C@H](C)C[NH3+])c1ccccc1 ZINC000423302907 387137277 /nfs/dbraw/zinc/13/72/77/387137277.db2.gz WIOHCXUFAQLTRD-UKRRQHHQSA-N 1 3 234.387 3.102 20 0 BGADHO CCCC[C@H](NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000423302908 387137747 /nfs/dbraw/zinc/13/77/47/387137747.db2.gz WIOHCXUFAQLTRD-ZFWWWQNUSA-N 1 3 234.387 3.102 20 0 BGADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc2ccccc2c1 ZINC000423305028 387140603 /nfs/dbraw/zinc/14/06/03/387140603.db2.gz ZZAUNDDYJWSDNL-CHWSQXEVSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc2ccccc2c1 ZINC000423305029 387140174 /nfs/dbraw/zinc/14/01/74/387140174.db2.gz ZZAUNDDYJWSDNL-OLZOCXBDSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc2ccccc2c1 ZINC000423305030 387139363 /nfs/dbraw/zinc/13/93/63/387139363.db2.gz ZZAUNDDYJWSDNL-QWHCGFSZSA-N 1 3 242.366 3.085 20 0 BGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc2ccccc2c1 ZINC000423305031 387139855 /nfs/dbraw/zinc/13/98/55/387139855.db2.gz ZZAUNDDYJWSDNL-STQMWFEESA-N 1 3 242.366 3.085 20 0 BGADHO CCC[NH2+]CCN[C@H]1CCCCC12CCCC2 ZINC000423305171 387139427 /nfs/dbraw/zinc/13/94/27/387139427.db2.gz BGHJZMCRSKVTFS-AWEZNQCLSA-N 1 3 238.419 3.079 20 0 BGADHO CCC[NH2+]CCN[C@@H]1CCCCC12CCCC2 ZINC000423305173 387139099 /nfs/dbraw/zinc/13/90/99/387139099.db2.gz BGHJZMCRSKVTFS-CQSZACIVSA-N 1 3 238.419 3.079 20 0 BGADHO C[C@@H](CN)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423308882 387143581 /nfs/dbraw/zinc/14/35/81/387143581.db2.gz PCOLZOWSCUSPJA-BBRMVZONSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@@H](C[NH3+])CN[C@@H](CC1CCC1)c1ccccc1 ZINC000423308882 387143578 /nfs/dbraw/zinc/14/35/78/387143578.db2.gz PCOLZOWSCUSPJA-BBRMVZONSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](CN)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423308883 387143186 /nfs/dbraw/zinc/14/31/86/387143186.db2.gz PCOLZOWSCUSPJA-CJNGLKHVSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](C[NH3+])CN[C@@H](CC1CCC1)c1ccccc1 ZINC000423308883 387143182 /nfs/dbraw/zinc/14/31/82/387143182.db2.gz PCOLZOWSCUSPJA-CJNGLKHVSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](CN)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423308884 387144329 /nfs/dbraw/zinc/14/43/29/387144329.db2.gz PCOLZOWSCUSPJA-CZUORRHYSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](C[NH3+])CN[C@H](CC1CCC1)c1ccccc1 ZINC000423308884 387144325 /nfs/dbraw/zinc/14/43/25/387144325.db2.gz PCOLZOWSCUSPJA-CZUORRHYSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@@H](CN)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423308885 387143765 /nfs/dbraw/zinc/14/37/65/387143765.db2.gz PCOLZOWSCUSPJA-XJKSGUPXSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@@H](C[NH3+])CN[C@H](CC1CCC1)c1ccccc1 ZINC000423308885 387143761 /nfs/dbraw/zinc/14/37/61/387143761.db2.gz PCOLZOWSCUSPJA-XJKSGUPXSA-N 1 3 246.398 3.102 20 0 BGADHO C[C@H](CN)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423309970 387145224 /nfs/dbraw/zinc/14/52/24/387145224.db2.gz QYEUHQQQTCSIFS-CYBMUJFWSA-N 1 3 238.419 3.064 20 0 BGADHO C[C@@H](CN)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423309987 387146249 /nfs/dbraw/zinc/14/62/49/387146249.db2.gz QYEUHQQQTCSIFS-ZDUSSCGKSA-N 1 3 238.419 3.064 20 0 BGADHO CCC[NH2+]CCN[C@H]1CCCC12CCCCC2 ZINC000423311804 387148328 /nfs/dbraw/zinc/14/83/28/387148328.db2.gz QVXCZNAWETUQAH-AWEZNQCLSA-N 1 3 238.419 3.079 20 0 BGADHO CCC[NH2+]CCN[C@@H]1CCCC12CCCCC2 ZINC000423311805 387149464 /nfs/dbraw/zinc/14/94/64/387149464.db2.gz QVXCZNAWETUQAH-CQSZACIVSA-N 1 3 238.419 3.079 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423312284 387148303 /nfs/dbraw/zinc/14/83/03/387148303.db2.gz DCQPGVDAMBISBS-BLLLJJGKSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423312285 387148289 /nfs/dbraw/zinc/14/82/89/387148289.db2.gz DCQPGVDAMBISBS-LRDDRELGSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423312286 387149479 /nfs/dbraw/zinc/14/94/79/387149479.db2.gz DCQPGVDAMBISBS-MLGOLLRUSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423312287 387148780 /nfs/dbraw/zinc/14/87/80/387148780.db2.gz DCQPGVDAMBISBS-WBMJQRKESA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)CC[C@@H]([NH2+]C[C@H](C)CN)C(C)(C)C ZINC000423314332 387153165 /nfs/dbraw/zinc/15/31/65/387153165.db2.gz YDYYUTGPZKQRTQ-CHWSQXEVSA-N 1 3 228.424 3.022 20 0 BGADHO CC(C)CC[C@H]([NH2+]C[C@H](C)CN)C(C)(C)C ZINC000423314333 387153585 /nfs/dbraw/zinc/15/35/85/387153585.db2.gz YDYYUTGPZKQRTQ-OLZOCXBDSA-N 1 3 228.424 3.022 20 0 BGADHO CC(C)CC[C@@H]([NH2+]C[C@@H](C)CN)C(C)(C)C ZINC000423314334 387155446 /nfs/dbraw/zinc/15/54/46/387155446.db2.gz YDYYUTGPZKQRTQ-QWHCGFSZSA-N 1 3 228.424 3.022 20 0 BGADHO CC(C)CC[C@H]([NH2+]C[C@@H](C)CN)C(C)(C)C ZINC000423314335 192700652 /nfs/dbraw/zinc/70/06/52/192700652.db2.gz YDYYUTGPZKQRTQ-STQMWFEESA-N 1 3 228.424 3.022 20 0 BGADHO CC(C)[C@H]1C[C@@H](NC[C@H](C)C[NH3+])c2ccccc21 ZINC000423315220 387155024 /nfs/dbraw/zinc/15/50/24/387155024.db2.gz ZEPMPOPABDZFPU-DAXOMENPSA-N 1 3 246.398 3.055 20 0 BGADHO CC(C)[C@@H]1C[C@H](NC[C@H](C)C[NH3+])c2ccccc21 ZINC000423315221 387153329 /nfs/dbraw/zinc/15/33/29/387153329.db2.gz ZEPMPOPABDZFPU-KCXAZCMYSA-N 1 3 246.398 3.055 20 0 BGADHO CC(C)[C@@H]1C[C@@H](NC[C@H](C)C[NH3+])c2ccccc21 ZINC000423315222 192701398 /nfs/dbraw/zinc/70/13/98/192701398.db2.gz ZEPMPOPABDZFPU-UHOFOFEASA-N 1 3 246.398 3.055 20 0 BGADHO CC(C)[C@H]1C[C@H](NC[C@H](C)C[NH3+])c2ccccc21 ZINC000423315223 387154165 /nfs/dbraw/zinc/15/41/65/387154165.db2.gz ZEPMPOPABDZFPU-WQVCFCJDSA-N 1 3 246.398 3.055 20 0 BGADHO CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000423315714 387156351 /nfs/dbraw/zinc/15/63/51/387156351.db2.gz ABNGWYNVHDWVQF-CVEARBPZSA-N 1 3 246.398 3.117 20 0 BGADHO CC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000423315714 387156347 /nfs/dbraw/zinc/15/63/47/387156347.db2.gz ABNGWYNVHDWVQF-CVEARBPZSA-N 1 3 246.398 3.117 20 0 BGADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000423315715 387156985 /nfs/dbraw/zinc/15/69/85/387156985.db2.gz ABNGWYNVHDWVQF-HOTGVXAUSA-N 1 3 246.398 3.117 20 0 BGADHO CC[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000423315715 387156983 /nfs/dbraw/zinc/15/69/83/387156983.db2.gz ABNGWYNVHDWVQF-HOTGVXAUSA-N 1 3 246.398 3.117 20 0 BGADHO CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000423315716 387156840 /nfs/dbraw/zinc/15/68/40/387156840.db2.gz ABNGWYNVHDWVQF-HZPDHXFCSA-N 1 3 246.398 3.117 20 0 BGADHO CC[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000423315716 387156835 /nfs/dbraw/zinc/15/68/35/387156835.db2.gz ABNGWYNVHDWVQF-HZPDHXFCSA-N 1 3 246.398 3.117 20 0 BGADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000423315717 387156927 /nfs/dbraw/zinc/15/69/27/387156927.db2.gz ABNGWYNVHDWVQF-JKSUJKDBSA-N 1 3 246.398 3.117 20 0 BGADHO CC[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000423315717 387156922 /nfs/dbraw/zinc/15/69/22/387156922.db2.gz ABNGWYNVHDWVQF-JKSUJKDBSA-N 1 3 246.398 3.117 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423318868 387158700 /nfs/dbraw/zinc/15/87/00/387158700.db2.gz DWUCRVUTVDXXMV-CYBMUJFWSA-N 1 3 246.398 3.171 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423318869 387158252 /nfs/dbraw/zinc/15/82/52/387158252.db2.gz DWUCRVUTVDXXMV-ZDUSSCGKSA-N 1 3 246.398 3.171 20 0 BGADHO CCc1ccc([C@H](CC)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423321135 387162337 /nfs/dbraw/zinc/16/23/37/387162337.db2.gz MUKOGLKZIUUVQD-CVEARBPZSA-N 1 3 246.398 3.027 20 0 BGADHO CCc1ccc([C@H](CC)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423321136 387161116 /nfs/dbraw/zinc/16/11/16/387161116.db2.gz MUKOGLKZIUUVQD-HOTGVXAUSA-N 1 3 246.398 3.027 20 0 BGADHO CCc1ccc([C@@H](CC)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423321137 387162820 /nfs/dbraw/zinc/16/28/20/387162820.db2.gz MUKOGLKZIUUVQD-HZPDHXFCSA-N 1 3 246.398 3.027 20 0 BGADHO CCc1ccc([C@@H](CC)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423321138 387160971 /nfs/dbraw/zinc/16/09/71/387160971.db2.gz MUKOGLKZIUUVQD-JKSUJKDBSA-N 1 3 246.398 3.027 20 0 BGADHO C[C@@H]1CC[C@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423322532 387165010 /nfs/dbraw/zinc/16/50/10/387165010.db2.gz IRFASBPFPJLLMF-DOMZBBRYSA-N 1 3 244.382 3.096 20 0 BGADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423322533 387165912 /nfs/dbraw/zinc/16/59/12/387165912.db2.gz IRFASBPFPJLLMF-IUODEOHRSA-N 1 3 244.382 3.096 20 0 BGADHO C[C@H]1CC[C@@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423322534 387166114 /nfs/dbraw/zinc/16/61/14/387166114.db2.gz IRFASBPFPJLLMF-SWLSCSKDSA-N 1 3 244.382 3.096 20 0 BGADHO C[C@H]1CC[C@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423322807 387164654 /nfs/dbraw/zinc/16/46/54/387164654.db2.gz IRFASBPFPJLLMF-WFASDCNBSA-N 1 3 244.382 3.096 20 0 BGADHO CCCC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1 ZINC000423323838 387168490 /nfs/dbraw/zinc/16/84/90/387168490.db2.gz OYDQTLJSXDQMRC-CVEARBPZSA-N 1 3 246.398 3.245 20 0 BGADHO CCCC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1 ZINC000423323839 387167081 /nfs/dbraw/zinc/16/70/81/387167081.db2.gz OYDQTLJSXDQMRC-HOTGVXAUSA-N 1 3 246.398 3.245 20 0 BGADHO CCCC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1 ZINC000423323840 387166972 /nfs/dbraw/zinc/16/69/72/387166972.db2.gz OYDQTLJSXDQMRC-HZPDHXFCSA-N 1 3 246.398 3.245 20 0 BGADHO CCCC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1 ZINC000423323841 387168588 /nfs/dbraw/zinc/16/85/88/387168588.db2.gz OYDQTLJSXDQMRC-JKSUJKDBSA-N 1 3 246.398 3.245 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423324278 387168742 /nfs/dbraw/zinc/16/87/42/387168742.db2.gz AYGBOPFNSXZHKY-KKUMJFAQSA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423324280 387167667 /nfs/dbraw/zinc/16/76/67/387167667.db2.gz AYGBOPFNSXZHKY-RRFJBIMHSA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423324282 387168791 /nfs/dbraw/zinc/16/87/91/387168791.db2.gz AYGBOPFNSXZHKY-SOUVJXGZSA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423324284 387168784 /nfs/dbraw/zinc/16/87/84/387168784.db2.gz AYGBOPFNSXZHKY-ZNMIVQPWSA-N 1 3 240.435 3.181 20 0 BGADHO Cc1cc(C)c([C@H](C)[NH2+]CC2(N)CCC2)cc1C ZINC000423325153 387168660 /nfs/dbraw/zinc/16/86/60/387168660.db2.gz LBCVAPLAQIDOOK-AWEZNQCLSA-N 1 3 246.398 3.144 20 0 BGADHO Cc1cc(C)c([C@@H](C)[NH2+]CC2(N)CCC2)cc1C ZINC000423325154 387167634 /nfs/dbraw/zinc/16/76/34/387167634.db2.gz LBCVAPLAQIDOOK-CQSZACIVSA-N 1 3 246.398 3.144 20 0 BGADHO Cc1ccc([C@@H](N[C@H](C)C[NH3+])C2CCCC2)cc1 ZINC000423325501 388063170 /nfs/dbraw/zinc/06/31/70/388063170.db2.gz LMOLNWYKASRHGX-CJNGLKHVSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccc([C@H](N[C@H](C)C[NH3+])C2CCCC2)cc1 ZINC000423325502 388063058 /nfs/dbraw/zinc/06/30/58/388063058.db2.gz LMOLNWYKASRHGX-CZUORRHYSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@@H](N[C@H](C)C[NH3+])C1CCCC1 ZINC000423326246 387230287 /nfs/dbraw/zinc/23/02/87/387230287.db2.gz MKUAOUJIWBAXMU-CJNGLKHVSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@H](N[C@H](C)C[NH3+])C1CCCC1 ZINC000423326247 387230408 /nfs/dbraw/zinc/23/04/08/387230408.db2.gz MKUAOUJIWBAXMU-CZUORRHYSA-N 1 3 246.398 3.163 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423326369 387229627 /nfs/dbraw/zinc/22/96/27/387229627.db2.gz KKUFVPJSTPYLTA-KKUMJFAQSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@]1(C)CCCNC1 ZINC000423326370 387230149 /nfs/dbraw/zinc/23/01/49/387230149.db2.gz KKUFVPJSTPYLTA-RRFJBIMHSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+]C[C@]1(C)CCCNC1 ZINC000423326371 387230317 /nfs/dbraw/zinc/23/03/17/387230317.db2.gz KKUFVPJSTPYLTA-SOUVJXGZSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423326373 387229155 /nfs/dbraw/zinc/22/91/55/387229155.db2.gz KKUFVPJSTPYLTA-ZNMIVQPWSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@@H]([NH2+]CC1(N)CCC1)c1ccsc1 ZINC000423329283 387172112 /nfs/dbraw/zinc/17/21/12/387172112.db2.gz OQMGCEKUWFRZCQ-GFCCVEGCSA-N 1 3 238.400 3.060 20 0 BGADHO CCC[C@H]([NH2+]CC1(N)CCC1)c1ccsc1 ZINC000423329290 387172778 /nfs/dbraw/zinc/17/27/78/387172778.db2.gz OQMGCEKUWFRZCQ-LBPRGKRZSA-N 1 3 238.400 3.060 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423329442 387172918 /nfs/dbraw/zinc/17/29/18/387172918.db2.gz SUPDQMHWCFCKTC-BLLLJJGKSA-N 1 3 246.398 3.027 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423329444 387172566 /nfs/dbraw/zinc/17/25/66/387172566.db2.gz SUPDQMHWCFCKTC-LRDDRELGSA-N 1 3 246.398 3.027 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423329445 387172197 /nfs/dbraw/zinc/17/21/97/387172197.db2.gz SUPDQMHWCFCKTC-MLGOLLRUSA-N 1 3 246.398 3.027 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423329448 387173613 /nfs/dbraw/zinc/17/36/13/387173613.db2.gz SUPDQMHWCFCKTC-WBMJQRKESA-N 1 3 246.398 3.027 20 0 BGADHO C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423329770 387172270 /nfs/dbraw/zinc/17/22/70/387172270.db2.gz FHHHNCLFFHJILH-DZGCQCFKSA-N 1 3 240.435 3.181 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423329771 387172901 /nfs/dbraw/zinc/17/29/01/387172901.db2.gz FHHHNCLFFHJILH-HIFRSBDPSA-N 1 3 240.435 3.181 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423329772 387172173 /nfs/dbraw/zinc/17/21/73/387172173.db2.gz FHHHNCLFFHJILH-UKRRQHHQSA-N 1 3 240.435 3.181 20 0 BGADHO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423329775 387174261 /nfs/dbraw/zinc/17/42/61/387174261.db2.gz FHHHNCLFFHJILH-ZFWWWQNUSA-N 1 3 240.435 3.181 20 0 BGADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1(N)CCC1 ZINC000423332089 387179192 /nfs/dbraw/zinc/17/91/92/387179192.db2.gz QOYWUQOZSFVMJC-GXTWGEPZSA-N 1 3 244.382 3.014 20 0 BGADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1(N)CCC1 ZINC000423332096 387178356 /nfs/dbraw/zinc/17/83/56/387178356.db2.gz QOYWUQOZSFVMJC-JSGCOSHPSA-N 1 3 244.382 3.014 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1(N)CCC1 ZINC000423332099 387178106 /nfs/dbraw/zinc/17/81/06/387178106.db2.gz QOYWUQOZSFVMJC-OCCSQVGLSA-N 1 3 244.382 3.014 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1(N)CCC1 ZINC000423332100 387179215 /nfs/dbraw/zinc/17/92/15/387179215.db2.gz QOYWUQOZSFVMJC-TZMCWYRMSA-N 1 3 244.382 3.014 20 0 BGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cccc(C2CC2)c1 ZINC000423338990 387188530 /nfs/dbraw/zinc/18/85/30/387188530.db2.gz WERNHIRTOQILEL-GFCCVEGCSA-N 1 3 244.382 3.096 20 0 BGADHO C[C@H]([NH2+]CC1(N)CCC1)c1cccc(C2CC2)c1 ZINC000423338991 387187287 /nfs/dbraw/zinc/18/72/87/387187287.db2.gz WERNHIRTOQILEL-LBPRGKRZSA-N 1 3 244.382 3.096 20 0 BGADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423345834 387194648 /nfs/dbraw/zinc/19/46/48/387194648.db2.gz ZFGBDWHEWVUYDX-CABCVRRESA-N 1 3 238.419 3.101 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423345835 387195127 /nfs/dbraw/zinc/19/51/27/387195127.db2.gz ZFGBDWHEWVUYDX-GJZGRUSLSA-N 1 3 238.419 3.101 20 0 BGADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423345837 387194921 /nfs/dbraw/zinc/19/49/21/387194921.db2.gz ZFGBDWHEWVUYDX-HUUCEWRRSA-N 1 3 238.419 3.101 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423345839 387195872 /nfs/dbraw/zinc/19/58/72/387195872.db2.gz ZFGBDWHEWVUYDX-LSDHHAIUSA-N 1 3 238.419 3.101 20 0 BGADHO CCC[C@H]([NH2+]C[C@]1(C)CCCNC1)C(C)(C)C ZINC000423347500 387197753 /nfs/dbraw/zinc/19/77/53/387197753.db2.gz RLEANBAVEOSTOD-DZGCQCFKSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)(C)C ZINC000423347501 192723184 /nfs/dbraw/zinc/72/31/84/192723184.db2.gz RLEANBAVEOSTOD-HIFRSBDPSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C(C)(C)C ZINC000423347502 387196875 /nfs/dbraw/zinc/19/68/75/387196875.db2.gz RLEANBAVEOSTOD-UKRRQHHQSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)(C)C ZINC000423347503 387198323 /nfs/dbraw/zinc/19/83/23/387198323.db2.gz RLEANBAVEOSTOD-ZFWWWQNUSA-N 1 3 240.435 3.181 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423357420 384831868 /nfs/dbraw/zinc/83/18/68/384831868.db2.gz AKPJDUYKMQEFJH-FQUUOJAGSA-N 1 3 226.408 3.061 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423357421 384833042 /nfs/dbraw/zinc/83/30/42/384833042.db2.gz AKPJDUYKMQEFJH-IGQOVBAYSA-N 1 3 226.408 3.061 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423357422 384832080 /nfs/dbraw/zinc/83/20/80/384832080.db2.gz AKPJDUYKMQEFJH-XDQVBPFNSA-N 1 3 226.408 3.061 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423357423 384833706 /nfs/dbraw/zinc/83/37/06/384833706.db2.gz AKPJDUYKMQEFJH-XUXIUFHCSA-N 1 3 226.408 3.061 20 0 BGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000423359552 387209829 /nfs/dbraw/zinc/20/98/29/387209829.db2.gz DDGDOSKROFGVPG-APIJFGDWSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000423359553 387210468 /nfs/dbraw/zinc/21/04/68/387210468.db2.gz DDGDOSKROFGVPG-CBBWQLFWSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000423359554 387209961 /nfs/dbraw/zinc/20/99/61/387209961.db2.gz DDGDOSKROFGVPG-KBXIAJHMSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000423359555 387210892 /nfs/dbraw/zinc/21/08/92/387210892.db2.gz DDGDOSKROFGVPG-QPSCCSFWSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000423359609 384832530 /nfs/dbraw/zinc/83/25/30/384832530.db2.gz DMSZUMMETWDWGS-AGIUHOORSA-N 1 3 238.400 3.059 20 0 BGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000423359610 384832932 /nfs/dbraw/zinc/83/29/32/384832932.db2.gz DMSZUMMETWDWGS-AVGNSLFASA-N 1 3 238.400 3.059 20 0 BGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000423359611 384548072 /nfs/dbraw/zinc/54/80/72/384548072.db2.gz DMSZUMMETWDWGS-UPJWGTAASA-N 1 3 238.400 3.059 20 0 BGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000423359612 384831765 /nfs/dbraw/zinc/83/17/65/384831765.db2.gz DMSZUMMETWDWGS-XQQFMLRXSA-N 1 3 238.400 3.059 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423359786 387211151 /nfs/dbraw/zinc/21/11/51/387211151.db2.gz PPEMKPQEPRFEKJ-CYBMUJFWSA-N 1 3 246.398 3.204 20 0 BGADHO CC(C)CC[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423359787 387211022 /nfs/dbraw/zinc/21/10/22/387211022.db2.gz PPEMKPQEPRFEKJ-ZDUSSCGKSA-N 1 3 246.398 3.204 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCCC1 ZINC000423360018 387213258 /nfs/dbraw/zinc/21/32/58/387213258.db2.gz FDLHKUNNJMVRRK-ILXRZTDVSA-N 1 3 238.419 3.205 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCC1 ZINC000423360019 387213179 /nfs/dbraw/zinc/21/31/79/387213179.db2.gz FDLHKUNNJMVRRK-KFWWJZLASA-N 1 3 238.419 3.205 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCCC1 ZINC000423360020 387212806 /nfs/dbraw/zinc/21/28/06/387212806.db2.gz FDLHKUNNJMVRRK-KKUMJFAQSA-N 1 3 238.419 3.205 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCCC1 ZINC000423360021 387212028 /nfs/dbraw/zinc/21/20/28/387212028.db2.gz FDLHKUNNJMVRRK-ZNMIVQPWSA-N 1 3 238.419 3.205 20 0 BGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(C)c1 ZINC000423361007 384837122 /nfs/dbraw/zinc/83/71/22/384837122.db2.gz GKNPZOGLOMNEQQ-JYJNAYRXSA-N 1 3 246.398 3.306 20 0 BGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C)c1 ZINC000423361008 384834453 /nfs/dbraw/zinc/83/44/53/384834453.db2.gz GKNPZOGLOMNEQQ-OAGGEKHMSA-N 1 3 246.398 3.306 20 0 BGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C)c1 ZINC000423361009 384834831 /nfs/dbraw/zinc/83/48/31/384834831.db2.gz GKNPZOGLOMNEQQ-PMPSAXMXSA-N 1 3 246.398 3.306 20 0 BGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C)c1 ZINC000423361011 384834383 /nfs/dbraw/zinc/83/43/83/384834383.db2.gz GKNPZOGLOMNEQQ-XHSDSOJGSA-N 1 3 246.398 3.306 20 0 BGADHO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000423364266 387215419 /nfs/dbraw/zinc/21/54/19/387215419.db2.gz BASILSJOCAQZEA-DVOMOZLQSA-N 1 3 246.398 3.040 20 0 BGADHO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000423364267 387215043 /nfs/dbraw/zinc/21/50/43/387215043.db2.gz BASILSJOCAQZEA-HEHGZKQESA-N 1 3 246.398 3.040 20 0 BGADHO CCc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000423364268 387214931 /nfs/dbraw/zinc/21/49/31/387214931.db2.gz BASILSJOCAQZEA-WWGRRREGSA-N 1 3 246.398 3.040 20 0 BGADHO CCc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000423364269 387216216 /nfs/dbraw/zinc/21/62/16/387216216.db2.gz BASILSJOCAQZEA-XEZPLFJOSA-N 1 3 246.398 3.040 20 0 BGADHO CCCC(CCC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423365949 387218307 /nfs/dbraw/zinc/21/83/07/387218307.db2.gz WYKJQEOWZFPJIM-UHFFFAOYSA-N 1 3 246.398 3.348 20 0 BGADHO Cc1ccc([C@@H](N[C@@H](C)C[NH3+])C2CCCC2)cc1 ZINC000423366443 387218788 /nfs/dbraw/zinc/21/87/88/387218788.db2.gz LMOLNWYKASRHGX-BBRMVZONSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccc([C@H](N[C@@H](C)C[NH3+])C2CCCC2)cc1 ZINC000423366444 387218953 /nfs/dbraw/zinc/21/89/53/387218953.db2.gz LMOLNWYKASRHGX-XJKSGUPXSA-N 1 3 246.398 3.163 20 0 BGADHO CC(C)CC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 ZINC000423368036 384842208 /nfs/dbraw/zinc/84/22/08/384842208.db2.gz MVPGQYAAQWEJCI-ILXRZTDVSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 ZINC000423368037 384843437 /nfs/dbraw/zinc/84/34/37/384843437.db2.gz MVPGQYAAQWEJCI-KFWWJZLASA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)CC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC1 ZINC000423368038 384549103 /nfs/dbraw/zinc/54/91/03/384549103.db2.gz MVPGQYAAQWEJCI-KKUMJFAQSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 ZINC000423368039 384841769 /nfs/dbraw/zinc/84/17/69/384841769.db2.gz MVPGQYAAQWEJCI-ZNMIVQPWSA-N 1 3 238.419 3.061 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C(C)(C)C ZINC000423368830 387220085 /nfs/dbraw/zinc/22/00/85/387220085.db2.gz NQRGJJOGAGGCJH-AGIUHOORSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C(C)(C)C ZINC000423368831 387222059 /nfs/dbraw/zinc/22/20/59/387222059.db2.gz NQRGJJOGAGGCJH-AVGNSLFASA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C(C)(C)C ZINC000423368833 387221795 /nfs/dbraw/zinc/22/17/95/387221795.db2.gz NQRGJJOGAGGCJH-UPJWGTAASA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C(C)(C)C ZINC000423368834 387220759 /nfs/dbraw/zinc/22/07/59/387220759.db2.gz NQRGJJOGAGGCJH-XQQFMLRXSA-N 1 3 226.408 3.061 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423372086 387227427 /nfs/dbraw/zinc/22/74/27/387227427.db2.gz GRSFMJXKFVYYFP-KBPBESRZSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423372087 387226905 /nfs/dbraw/zinc/22/69/05/387226905.db2.gz GRSFMJXKFVYYFP-KGLIPLIRSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423372088 387226062 /nfs/dbraw/zinc/22/60/62/387226062.db2.gz GRSFMJXKFVYYFP-UONOGXRCSA-N 1 3 240.435 3.307 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423372089 387226857 /nfs/dbraw/zinc/22/68/57/387226857.db2.gz GRSFMJXKFVYYFP-ZIAGYGMSSA-N 1 3 240.435 3.307 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1CCCC[C@H]1C ZINC000423372614 387227585 /nfs/dbraw/zinc/22/75/85/387227585.db2.gz RFXMHNOGQQJVHG-FQKPHLNHSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@H]1CCCC[C@H]1C ZINC000423372615 387226450 /nfs/dbraw/zinc/22/64/50/387226450.db2.gz RFXMHNOGQQJVHG-KHMAMNHCSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)[C@H]1CCCC[C@H]1C ZINC000423372616 387226620 /nfs/dbraw/zinc/22/66/20/387226620.db2.gz RFXMHNOGQQJVHG-QTVXIADOSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)[C@H]1CCCC[C@H]1C ZINC000423372617 387225799 /nfs/dbraw/zinc/22/57/99/387225799.db2.gz RFXMHNOGQQJVHG-SEBNEYGDSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423372680 388692639 /nfs/dbraw/zinc/69/26/39/388692639.db2.gz RLIJZYAEOKABOB-AICCOOGYSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423372681 384848855 /nfs/dbraw/zinc/84/88/55/384848855.db2.gz RLIJZYAEOKABOB-JARUQAPTSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423372682 384849169 /nfs/dbraw/zinc/84/91/69/384849169.db2.gz RLIJZYAEOKABOB-QRTUWBSPSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423372683 384553465 /nfs/dbraw/zinc/55/34/65/384553465.db2.gz RLIJZYAEOKABOB-ZQNQSHIBSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(C)cc1 ZINC000423376224 387256256 /nfs/dbraw/zinc/25/62/56/387256256.db2.gz KXISMKWJVWBTHY-BMFZPTHFSA-N 1 3 246.398 3.176 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1ccc(C)cc1 ZINC000423376225 387257269 /nfs/dbraw/zinc/25/72/69/387257269.db2.gz KXISMKWJVWBTHY-BPUTZDHNSA-N 1 3 246.398 3.176 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1ccc(C)cc1 ZINC000423376226 387257513 /nfs/dbraw/zinc/25/75/13/387257513.db2.gz KXISMKWJVWBTHY-IMJJTQAJSA-N 1 3 246.398 3.176 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(C)cc1 ZINC000423376227 387256729 /nfs/dbraw/zinc/25/67/29/387256729.db2.gz KXISMKWJVWBTHY-KBMXLJTQSA-N 1 3 246.398 3.176 20 0 BGADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC000423377385 192754030 /nfs/dbraw/zinc/75/40/30/192754030.db2.gz LPCTVNBTXBMJLP-ILXRZTDVSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC000423377387 387259886 /nfs/dbraw/zinc/25/98/86/387259886.db2.gz LPCTVNBTXBMJLP-KKUMJFAQSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC000423377389 387260287 /nfs/dbraw/zinc/26/02/87/387260287.db2.gz LPCTVNBTXBMJLP-QLFBSQMISA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC000423377390 387260342 /nfs/dbraw/zinc/26/03/42/387260342.db2.gz LPCTVNBTXBMJLP-SOUVJXGZSA-N 1 3 246.398 3.095 20 0 BGADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000423378244 192754584 /nfs/dbraw/zinc/75/45/84/192754584.db2.gz WIWNLTOBAQCFKT-DVZHBHJUSA-N 1 3 244.382 3.094 20 0 BGADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423378245 387260809 /nfs/dbraw/zinc/26/08/09/387260809.db2.gz WIWNLTOBAQCFKT-FOCJUVANSA-N 1 3 244.382 3.094 20 0 BGADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000423378246 387260328 /nfs/dbraw/zinc/26/03/28/387260328.db2.gz WIWNLTOBAQCFKT-IATRGZMQSA-N 1 3 244.382 3.094 20 0 BGADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423378247 387259182 /nfs/dbraw/zinc/25/91/82/387259182.db2.gz WIWNLTOBAQCFKT-JXFSHQFZSA-N 1 3 244.382 3.094 20 0 BGADHO CC(C)[C@H](NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423378711 387259106 /nfs/dbraw/zinc/25/91/06/387259106.db2.gz ZOUSWGOELPAXCS-CVEARBPZSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)[C@@H](NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423378712 387260353 /nfs/dbraw/zinc/26/03/53/387260353.db2.gz ZOUSWGOELPAXCS-HZPDHXFCSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CCCC1 ZINC000423381072 387263847 /nfs/dbraw/zinc/26/38/47/387263847.db2.gz NFZHWYJKQRKSIG-CFVMTHIKSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CCCC1 ZINC000423381073 387263299 /nfs/dbraw/zinc/26/32/99/387263299.db2.gz NFZHWYJKQRKSIG-QEJZJMRPSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCCC1 ZINC000423381074 387263714 /nfs/dbraw/zinc/26/37/14/387263714.db2.gz NFZHWYJKQRKSIG-SNPRPXQTSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCCC1 ZINC000423381075 387263495 /nfs/dbraw/zinc/26/34/95/387263495.db2.gz NFZHWYJKQRKSIG-YUELXQCFSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCCCCC1 ZINC000423381156 387262180 /nfs/dbraw/zinc/26/21/80/387262180.db2.gz NMIZUJXATJQUJS-IPYPFGDCSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCCCCC1 ZINC000423381157 387262021 /nfs/dbraw/zinc/26/20/21/387262021.db2.gz NMIZUJXATJQUJS-NFAWXSAZSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCCCCC1 ZINC000423381159 387262655 /nfs/dbraw/zinc/26/26/55/387262655.db2.gz NMIZUJXATJQUJS-UMVBOHGHSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCCCCC1 ZINC000423381161 387261853 /nfs/dbraw/zinc/26/18/53/387261853.db2.gz NMIZUJXATJQUJS-VNHYZAJKSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423382701 387264592 /nfs/dbraw/zinc/26/45/92/387264592.db2.gz PABOLTZLRGBKCU-BMFZPTHFSA-N 1 3 246.398 3.114 20 0 BGADHO CC(C)[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000423382701 387264590 /nfs/dbraw/zinc/26/45/90/387264590.db2.gz PABOLTZLRGBKCU-BMFZPTHFSA-N 1 3 246.398 3.114 20 0 BGADHO CC(C)[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423382706 387266300 /nfs/dbraw/zinc/26/63/00/387266300.db2.gz PABOLTZLRGBKCU-FVQBIDKESA-N 1 3 246.398 3.114 20 0 BGADHO CC(C)[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000423382706 387266292 /nfs/dbraw/zinc/26/62/92/387266292.db2.gz PABOLTZLRGBKCU-FVQBIDKESA-N 1 3 246.398 3.114 20 0 BGADHO CC(C)[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423382707 387265676 /nfs/dbraw/zinc/26/56/76/387265676.db2.gz PABOLTZLRGBKCU-KBMXLJTQSA-N 1 3 246.398 3.114 20 0 BGADHO CC(C)[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000423382707 387265669 /nfs/dbraw/zinc/26/56/69/387265669.db2.gz PABOLTZLRGBKCU-KBMXLJTQSA-N 1 3 246.398 3.114 20 0 BGADHO CC(C)[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423382708 387265262 /nfs/dbraw/zinc/26/52/62/387265262.db2.gz PABOLTZLRGBKCU-VNQPRFMTSA-N 1 3 246.398 3.114 20 0 BGADHO CC(C)[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000423382708 387265256 /nfs/dbraw/zinc/26/52/56/387265256.db2.gz PABOLTZLRGBKCU-VNQPRFMTSA-N 1 3 246.398 3.114 20 0 BGADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c1C ZINC000423383321 387264894 /nfs/dbraw/zinc/26/48/94/387264894.db2.gz PNCOQPJSJUQTNH-AEGPPILISA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c1C ZINC000423383324 387265474 /nfs/dbraw/zinc/26/54/74/387265474.db2.gz PNCOQPJSJUQTNH-QEJZJMRPSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c1C ZINC000423383326 387264771 /nfs/dbraw/zinc/26/47/71/387264771.db2.gz PNCOQPJSJUQTNH-SNPRPXQTSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c1C ZINC000423383328 387265288 /nfs/dbraw/zinc/26/52/88/387265288.db2.gz PNCOQPJSJUQTNH-VHDGCEQUSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000423384281 387267571 /nfs/dbraw/zinc/26/75/71/387267571.db2.gz KRYWWGKFSUDGTO-KKUMJFAQSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000423384282 387269303 /nfs/dbraw/zinc/26/93/03/387269303.db2.gz KRYWWGKFSUDGTO-RRFJBIMHSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000423384283 387269323 /nfs/dbraw/zinc/26/93/23/387269323.db2.gz KRYWWGKFSUDGTO-SOUVJXGZSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000423384284 387269321 /nfs/dbraw/zinc/26/93/21/387269321.db2.gz KRYWWGKFSUDGTO-ZNMIVQPWSA-N 1 3 246.398 3.224 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423388841 387272698 /nfs/dbraw/zinc/27/26/98/387272698.db2.gz JCJITCGKNVACSG-DZGCQCFKSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCNC[C@H]1C ZINC000423388842 387274643 /nfs/dbraw/zinc/27/46/43/387274643.db2.gz JCJITCGKNVACSG-HIFRSBDPSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423388843 387273452 /nfs/dbraw/zinc/27/34/52/387273452.db2.gz JCJITCGKNVACSG-UKRRQHHQSA-N 1 3 240.435 3.035 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423388844 387273579 /nfs/dbraw/zinc/27/35/79/387273579.db2.gz JCJITCGKNVACSG-ZFWWWQNUSA-N 1 3 240.435 3.035 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(C)c1 ZINC000423391978 387275322 /nfs/dbraw/zinc/27/53/22/387275322.db2.gz XFNTUPYUIXTZCF-BMFZPTHFSA-N 1 3 246.398 3.176 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1cccc(C)c1 ZINC000423391979 387276796 /nfs/dbraw/zinc/27/67/96/387276796.db2.gz XFNTUPYUIXTZCF-BPUTZDHNSA-N 1 3 246.398 3.176 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1cccc(C)c1 ZINC000423391980 387277172 /nfs/dbraw/zinc/27/71/72/387277172.db2.gz XFNTUPYUIXTZCF-IMJJTQAJSA-N 1 3 246.398 3.176 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cccc(C)c1 ZINC000423391981 387275397 /nfs/dbraw/zinc/27/53/97/387275397.db2.gz XFNTUPYUIXTZCF-KBMXLJTQSA-N 1 3 246.398 3.176 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423393905 387279190 /nfs/dbraw/zinc/27/91/90/387279190.db2.gz RCJMTVBYWPZCKU-GFCCVEGCSA-N 1 3 246.398 3.204 20 0 BGADHO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423393906 387278121 /nfs/dbraw/zinc/27/81/21/387278121.db2.gz RCJMTVBYWPZCKU-LBPRGKRZSA-N 1 3 246.398 3.204 20 0 BGADHO Cc1ccccc1[C@@H](N[C@@H](C)C[NH3+])C1CCCC1 ZINC000423393928 387279138 /nfs/dbraw/zinc/27/91/38/387279138.db2.gz MKUAOUJIWBAXMU-BBRMVZONSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@H](N[C@@H](C)C[NH3+])C1CCCC1 ZINC000423393929 387278965 /nfs/dbraw/zinc/27/89/65/387278965.db2.gz MKUAOUJIWBAXMU-XJKSGUPXSA-N 1 3 246.398 3.163 20 0 BGADHO CC[NH2+][C@H](C)CNC(CC(C)C)CC(C)C ZINC000423393946 387279387 /nfs/dbraw/zinc/27/93/87/387279387.db2.gz ZAJSTSXABXMMBN-CYBMUJFWSA-N 1 3 228.424 3.035 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000423394968 192766015 /nfs/dbraw/zinc/76/60/15/192766015.db2.gz RNVCFJGPUVNAAF-BPUTZDHNSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000423394970 387282229 /nfs/dbraw/zinc/28/22/29/387282229.db2.gz RNVCFJGPUVNAAF-CWRNSKLLSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000423394972 387281014 /nfs/dbraw/zinc/28/10/14/387281014.db2.gz RNVCFJGPUVNAAF-IMJJTQAJSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000423394973 387282058 /nfs/dbraw/zinc/28/20/58/387282058.db2.gz RNVCFJGPUVNAAF-NUEKZKHPSA-N 1 3 246.398 3.224 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423395929 387281502 /nfs/dbraw/zinc/28/15/02/387281502.db2.gz TWMZRIBMWJSRPY-BMFZPTHFSA-N 1 3 246.398 3.258 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1ccccc1 ZINC000423395930 387281085 /nfs/dbraw/zinc/28/10/85/387281085.db2.gz TWMZRIBMWJSRPY-BPUTZDHNSA-N 1 3 246.398 3.258 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1ccccc1 ZINC000423395931 387281628 /nfs/dbraw/zinc/28/16/28/387281628.db2.gz TWMZRIBMWJSRPY-IMJJTQAJSA-N 1 3 246.398 3.258 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423395932 387281074 /nfs/dbraw/zinc/28/10/74/387281074.db2.gz TWMZRIBMWJSRPY-KBMXLJTQSA-N 1 3 246.398 3.258 20 0 BGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423396035 384852941 /nfs/dbraw/zinc/85/29/41/384852941.db2.gz SDBVVAWEIKWJKT-MRLBHPIUSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423396037 384852100 /nfs/dbraw/zinc/85/21/00/384852100.db2.gz SDBVVAWEIKWJKT-QMIVOQANSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423396040 192765853 /nfs/dbraw/zinc/76/58/53/192765853.db2.gz SDBVVAWEIKWJKT-RYPNDVFKSA-N 1 3 238.419 3.061 20 0 BGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423396043 384852651 /nfs/dbraw/zinc/85/26/51/384852651.db2.gz SDBVVAWEIKWJKT-ZSAUSMIDSA-N 1 3 238.419 3.061 20 0 BGADHO CC[NH2+][C@H](C)CN[C@H]1CCCCC12CCCC2 ZINC000423396203 387281325 /nfs/dbraw/zinc/28/13/25/387281325.db2.gz TYQBYBACODFJQK-KGLIPLIRSA-N 1 3 238.419 3.077 20 0 BGADHO CC[NH2+][C@H](C)CN[C@@H]1CCCCC12CCCC2 ZINC000423396212 387280941 /nfs/dbraw/zinc/28/09/41/387280941.db2.gz TYQBYBACODFJQK-ZIAGYGMSSA-N 1 3 238.419 3.077 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccc(C)c1 ZINC000423397110 387232812 /nfs/dbraw/zinc/23/28/12/387232812.db2.gz ODMOIZNTKBPMAL-BPUTZDHNSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc(C)c1 ZINC000423397110 387232808 /nfs/dbraw/zinc/23/28/08/387232808.db2.gz ODMOIZNTKBPMAL-BPUTZDHNSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccc(C)c1 ZINC000423397117 387232322 /nfs/dbraw/zinc/23/23/22/387232322.db2.gz ODMOIZNTKBPMAL-CWRNSKLLSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(C)c1 ZINC000423397117 387232318 /nfs/dbraw/zinc/23/23/18/387232318.db2.gz ODMOIZNTKBPMAL-CWRNSKLLSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccc(C)c1 ZINC000423397119 387232951 /nfs/dbraw/zinc/23/29/51/387232951.db2.gz ODMOIZNTKBPMAL-KBMXLJTQSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1cccc(C)c1 ZINC000423397119 387232950 /nfs/dbraw/zinc/23/29/50/387232950.db2.gz ODMOIZNTKBPMAL-KBMXLJTQSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccc(C)c1 ZINC000423397120 387231359 /nfs/dbraw/zinc/23/13/59/387231359.db2.gz ODMOIZNTKBPMAL-VNQPRFMTSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc(C)c1 ZINC000423397120 387231352 /nfs/dbraw/zinc/23/13/52/387231352.db2.gz ODMOIZNTKBPMAL-VNQPRFMTSA-N 1 3 246.398 3.034 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423397163 387232027 /nfs/dbraw/zinc/23/20/27/387232027.db2.gz UNYUNWXSZNFCGG-KBPBESRZSA-N 1 3 240.435 3.177 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423397167 387231434 /nfs/dbraw/zinc/23/14/34/387231434.db2.gz UNYUNWXSZNFCGG-KGLIPLIRSA-N 1 3 240.435 3.177 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423397169 387232332 /nfs/dbraw/zinc/23/23/32/387232332.db2.gz UNYUNWXSZNFCGG-UONOGXRCSA-N 1 3 240.435 3.177 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423397171 387232736 /nfs/dbraw/zinc/23/27/36/387232736.db2.gz UNYUNWXSZNFCGG-ZIAGYGMSSA-N 1 3 240.435 3.177 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CCCCC1 ZINC000423398366 387232402 /nfs/dbraw/zinc/23/24/02/387232402.db2.gz VHSWQGGXOCTHMG-CFVMTHIKSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CCCCC1 ZINC000423398367 387231604 /nfs/dbraw/zinc/23/16/04/387231604.db2.gz VHSWQGGXOCTHMG-QEJZJMRPSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCCCC1 ZINC000423398724 387231587 /nfs/dbraw/zinc/23/15/87/387231587.db2.gz VHSWQGGXOCTHMG-SNPRPXQTSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCCCC1 ZINC000423398725 387233081 /nfs/dbraw/zinc/23/30/81/387233081.db2.gz VHSWQGGXOCTHMG-YUELXQCFSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423399170 384852460 /nfs/dbraw/zinc/85/24/60/384852460.db2.gz URVIEEPUANHFMF-CRWXNKLISA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423399171 384853773 /nfs/dbraw/zinc/85/37/73/384853773.db2.gz URVIEEPUANHFMF-DGAVXFQQSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423399172 384852797 /nfs/dbraw/zinc/85/27/97/384852797.db2.gz URVIEEPUANHFMF-FQUUOJAGSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423399173 384852882 /nfs/dbraw/zinc/85/28/82/384852882.db2.gz URVIEEPUANHFMF-XUXIUFHCSA-N 1 3 226.408 3.061 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1C ZINC000423399373 387235622 /nfs/dbraw/zinc/23/56/22/387235622.db2.gz VVRZRTMDYSRCRL-DZKIICNBSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1C ZINC000423399374 387234065 /nfs/dbraw/zinc/23/40/65/387234065.db2.gz VVRZRTMDYSRCRL-IJEWVQPXSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1C ZINC000423399375 387235815 /nfs/dbraw/zinc/23/58/15/387235815.db2.gz VVRZRTMDYSRCRL-OFQRWUPVSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1C ZINC000423399376 387235349 /nfs/dbraw/zinc/23/53/49/387235349.db2.gz VVRZRTMDYSRCRL-YCPHGPKFSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC000423400678 387235182 /nfs/dbraw/zinc/23/51/82/387235182.db2.gz WRTMVXBYNQCJDI-DZKIICNBSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC000423400679 387233892 /nfs/dbraw/zinc/23/38/92/387233892.db2.gz WRTMVXBYNQCJDI-IJEWVQPXSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC000423400680 387233643 /nfs/dbraw/zinc/23/36/43/387233643.db2.gz WRTMVXBYNQCJDI-OFQRWUPVSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC000423400681 387234927 /nfs/dbraw/zinc/23/49/27/387234927.db2.gz WRTMVXBYNQCJDI-YCPHGPKFSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423401380 387237728 /nfs/dbraw/zinc/23/77/28/387237728.db2.gz WBFBGPXZGYHYDH-BPUTZDHNSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423401381 387237301 /nfs/dbraw/zinc/23/73/01/387237301.db2.gz WBFBGPXZGYHYDH-CWRNSKLLSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423401382 387237702 /nfs/dbraw/zinc/23/77/02/387237702.db2.gz WBFBGPXZGYHYDH-IMJJTQAJSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cc(C)cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423401383 387237594 /nfs/dbraw/zinc/23/75/94/387237594.db2.gz WBFBGPXZGYHYDH-NUEKZKHPSA-N 1 3 246.398 3.224 20 0 BGADHO CC[NH2+][C@H](C)CN[C@H]1CCCC12CCCCC2 ZINC000423402629 387238548 /nfs/dbraw/zinc/23/85/48/387238548.db2.gz YQTKBBSJITXSAM-KGLIPLIRSA-N 1 3 238.419 3.077 20 0 BGADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC12CCCCC2 ZINC000423402632 387237556 /nfs/dbraw/zinc/23/75/56/387237556.db2.gz YQTKBBSJITXSAM-ZIAGYGMSSA-N 1 3 238.419 3.077 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c(C)c1 ZINC000423404202 387241548 /nfs/dbraw/zinc/24/15/48/387241548.db2.gz ZBHBXQUYMZSZSY-ILXRZTDVSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c(C)c1 ZINC000423404203 387240782 /nfs/dbraw/zinc/24/07/82/387240782.db2.gz ZBHBXQUYMZSZSY-KKUMJFAQSA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c(C)c1 ZINC000423404204 387239721 /nfs/dbraw/zinc/23/97/21/387239721.db2.gz ZBHBXQUYMZSZSY-QLFBSQMISA-N 1 3 246.398 3.095 20 0 BGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c(C)c1 ZINC000423404205 387240749 /nfs/dbraw/zinc/24/07/49/387240749.db2.gz ZBHBXQUYMZSZSY-SOUVJXGZSA-N 1 3 246.398 3.095 20 0 BGADHO CCCC[C@H](CC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423406063 387240465 /nfs/dbraw/zinc/24/04/65/387240465.db2.gz YIUIPGOLJVTTII-INIZCTEOSA-N 1 3 246.398 3.348 20 0 BGADHO CCCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423406064 387239998 /nfs/dbraw/zinc/23/99/98/387239998.db2.gz YIUIPGOLJVTTII-MRXNPFEDSA-N 1 3 246.398 3.348 20 0 BGADHO Cc1cc([C@H](C)N[C@H](C)CCCC[NH3+])oc1C ZINC000423425070 387253206 /nfs/dbraw/zinc/25/32/06/387253206.db2.gz GLOFULGGULEXTG-NEPJUHHUSA-N 1 3 238.375 3.065 20 0 BGADHO Cc1cc([C@@H](C)N[C@@H](C)CCCC[NH3+])oc1C ZINC000423425074 387251857 /nfs/dbraw/zinc/25/18/57/387251857.db2.gz GLOFULGGULEXTG-NWDGAFQWSA-N 1 3 238.375 3.065 20 0 BGADHO Cc1cc([C@H](C)N[C@@H](C)CCCC[NH3+])oc1C ZINC000423425075 387251837 /nfs/dbraw/zinc/25/18/37/387251837.db2.gz GLOFULGGULEXTG-RYUDHWBXSA-N 1 3 238.375 3.065 20 0 BGADHO Cc1cc([C@@H](C)N[C@H](C)CCCC[NH3+])oc1C ZINC000423425076 387251952 /nfs/dbraw/zinc/25/19/52/387251952.db2.gz GLOFULGGULEXTG-VXGBXAGGSA-N 1 3 238.375 3.065 20 0 BGADHO CCc1ccc([C@H](C)N[C@H](C)CCCC[NH3+])o1 ZINC000423428599 387255028 /nfs/dbraw/zinc/25/50/28/387255028.db2.gz JNHYHEHVLDIDSP-NEPJUHHUSA-N 1 3 238.375 3.010 20 0 BGADHO CCc1ccc([C@@H](C)N[C@@H](C)CCCC[NH3+])o1 ZINC000423428604 387253909 /nfs/dbraw/zinc/25/39/09/387253909.db2.gz JNHYHEHVLDIDSP-NWDGAFQWSA-N 1 3 238.375 3.010 20 0 BGADHO CCc1ccc([C@H](C)N[C@@H](C)CCCC[NH3+])o1 ZINC000423428606 387255550 /nfs/dbraw/zinc/25/55/50/387255550.db2.gz JNHYHEHVLDIDSP-RYUDHWBXSA-N 1 3 238.375 3.010 20 0 BGADHO CCc1ccc([C@@H](C)N[C@H](C)CCCC[NH3+])o1 ZINC000423428607 387255317 /nfs/dbraw/zinc/25/53/17/387255317.db2.gz JNHYHEHVLDIDSP-VXGBXAGGSA-N 1 3 238.375 3.010 20 0 BGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423433308 387283788 /nfs/dbraw/zinc/28/37/88/387283788.db2.gz CAGKTFGSTRDJHN-AGIUHOORSA-N 1 3 248.414 3.370 20 0 BGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423433309 387284578 /nfs/dbraw/zinc/28/45/78/387284578.db2.gz CAGKTFGSTRDJHN-AVGNSLFASA-N 1 3 248.414 3.370 20 0 BGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423433310 387284538 /nfs/dbraw/zinc/28/45/38/387284538.db2.gz CAGKTFGSTRDJHN-UPJWGTAASA-N 1 3 248.414 3.370 20 0 BGADHO C[C@@H]([NH2+][C@@H](C)c1ccccc1C(C)(C)C)[C@H](C)N ZINC000423433311 387284428 /nfs/dbraw/zinc/28/44/28/387284428.db2.gz CAGKTFGSTRDJHN-XQQFMLRXSA-N 1 3 248.414 3.370 20 0 BGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423440970 387291575 /nfs/dbraw/zinc/29/15/75/387291575.db2.gz IWDWFTPSBRAXFY-AGIUHOORSA-N 1 3 242.366 3.226 20 0 BGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423440975 387290173 /nfs/dbraw/zinc/29/01/73/387290173.db2.gz IWDWFTPSBRAXFY-AVGNSLFASA-N 1 3 242.366 3.226 20 0 BGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423440976 387291585 /nfs/dbraw/zinc/29/15/85/387291585.db2.gz IWDWFTPSBRAXFY-UPJWGTAASA-N 1 3 242.366 3.226 20 0 BGADHO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)[C@H](C)N ZINC000423440977 387291068 /nfs/dbraw/zinc/29/10/68/387291068.db2.gz IWDWFTPSBRAXFY-XQQFMLRXSA-N 1 3 242.366 3.226 20 0 BGADHO CCc1ccc([C@H](CC)[NH2+]C[C@H](N)CC)cc1 ZINC000423442458 387292124 /nfs/dbraw/zinc/29/21/24/387292124.db2.gz BVMKQLABKWCIEW-CABCVRRESA-N 1 3 234.387 3.027 20 0 BGADHO CCc1ccc([C@H](CC)[NH2+]C[C@@H](N)CC)cc1 ZINC000423442459 387292007 /nfs/dbraw/zinc/29/20/07/387292007.db2.gz BVMKQLABKWCIEW-GJZGRUSLSA-N 1 3 234.387 3.027 20 0 BGADHO CCc1ccc([C@@H](CC)[NH2+]C[C@H](N)CC)cc1 ZINC000423442460 387292522 /nfs/dbraw/zinc/29/25/22/387292522.db2.gz BVMKQLABKWCIEW-HUUCEWRRSA-N 1 3 234.387 3.027 20 0 BGADHO CCc1ccc([C@@H](CC)[NH2+]C[C@@H](N)CC)cc1 ZINC000423442461 387292390 /nfs/dbraw/zinc/29/23/90/387292390.db2.gz BVMKQLABKWCIEW-LSDHHAIUSA-N 1 3 234.387 3.027 20 0 BGADHO CC(C)C[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cccs1 ZINC000423449800 387300397 /nfs/dbraw/zinc/30/03/97/387300397.db2.gz SDWMFYJWOYFCKO-SRVKXCTJSA-N 1 3 240.416 3.161 20 0 BGADHO CC(C)C[C@H]([NH2+][C@H](C)[C@H](C)N)c1cccs1 ZINC000423449801 387299809 /nfs/dbraw/zinc/29/98/09/387299809.db2.gz SDWMFYJWOYFCKO-TUAOUCFPSA-N 1 3 240.416 3.161 20 0 BGADHO CC(C)C[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cccs1 ZINC000423449802 387299357 /nfs/dbraw/zinc/29/93/57/387299357.db2.gz SDWMFYJWOYFCKO-UTUOFQBUSA-N 1 3 240.416 3.161 20 0 BGADHO CC(C)C[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cccs1 ZINC000423449803 387300569 /nfs/dbraw/zinc/30/05/69/387300569.db2.gz SDWMFYJWOYFCKO-WOPDTQHZSA-N 1 3 240.416 3.161 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423454935 387302572 /nfs/dbraw/zinc/30/25/72/387302572.db2.gz ZRTZXYVEQVLYEH-AGIUHOORSA-N 1 3 234.387 3.025 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423454936 387301975 /nfs/dbraw/zinc/30/19/75/387301975.db2.gz ZRTZXYVEQVLYEH-AVGNSLFASA-N 1 3 234.387 3.025 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423454937 387301518 /nfs/dbraw/zinc/30/15/18/387301518.db2.gz ZRTZXYVEQVLYEH-UPJWGTAASA-N 1 3 234.387 3.025 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423454938 387301987 /nfs/dbraw/zinc/30/19/87/387301987.db2.gz ZRTZXYVEQVLYEH-XQQFMLRXSA-N 1 3 234.387 3.025 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(Cl)s1 ZINC000423455036 387301391 /nfs/dbraw/zinc/30/13/91/387301391.db2.gz ZXOXBZFVOHFXAB-CIUDSAMLSA-N 1 3 246.807 3.178 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(Cl)s1 ZINC000423455043 387301336 /nfs/dbraw/zinc/30/13/36/387301336.db2.gz ZXOXBZFVOHFXAB-HLTSFMKQSA-N 1 3 246.807 3.178 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(Cl)s1 ZINC000423455044 387302350 /nfs/dbraw/zinc/30/23/50/387302350.db2.gz ZXOXBZFVOHFXAB-VGMNWLOBSA-N 1 3 246.807 3.178 20 0 BGADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(Cl)s1 ZINC000423455046 387301642 /nfs/dbraw/zinc/30/16/42/387301642.db2.gz ZXOXBZFVOHFXAB-YIZRAAEISA-N 1 3 246.807 3.178 20 0 BGADHO C[C@@H](N)[C@@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423456885 387304707 /nfs/dbraw/zinc/30/47/07/387304707.db2.gz DWBPYLCQCNILGU-BFLSOPEQSA-N 1 3 238.400 3.012 20 0 BGADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccsc21)[C@H](C)N ZINC000423456896 387303429 /nfs/dbraw/zinc/30/34/29/387303429.db2.gz DWBPYLCQCNILGU-KLBPJQLPSA-N 1 3 238.400 3.012 20 0 BGADHO C[C@@H](N)[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423456897 387303444 /nfs/dbraw/zinc/30/34/44/387303444.db2.gz DWBPYLCQCNILGU-SVDPJWKOSA-N 1 3 238.400 3.012 20 0 BGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423456898 387303837 /nfs/dbraw/zinc/30/38/37/387303837.db2.gz DWBPYLCQCNILGU-WDCWCFNPSA-N 1 3 238.400 3.012 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000423457430 387305758 /nfs/dbraw/zinc/30/57/58/387305758.db2.gz FQIVGLHCNLIVHB-CHWSQXEVSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000423457431 387305824 /nfs/dbraw/zinc/30/58/24/387305824.db2.gz FQIVGLHCNLIVHB-OLZOCXBDSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc(Cl)cc1 ZINC000423457432 387306983 /nfs/dbraw/zinc/30/69/83/387306983.db2.gz FQIVGLHCNLIVHB-QWHCGFSZSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000423457433 387306660 /nfs/dbraw/zinc/30/66/60/387306660.db2.gz FQIVGLHCNLIVHB-STQMWFEESA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423457485 387305652 /nfs/dbraw/zinc/30/56/52/387305652.db2.gz FXSBMACZWGYLFR-MLGOLLRUSA-N 1 3 242.366 3.228 20 0 BGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423457486 387305809 /nfs/dbraw/zinc/30/58/09/387305809.db2.gz FXSBMACZWGYLFR-WBMJQRKESA-N 1 3 242.366 3.228 20 0 BGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423459072 387306928 /nfs/dbraw/zinc/30/69/28/387306928.db2.gz HNZOPRCEPPLDAH-DOMZBBRYSA-N 1 3 248.414 3.372 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423459073 387305912 /nfs/dbraw/zinc/30/59/12/387305912.db2.gz HNZOPRCEPPLDAH-IUODEOHRSA-N 1 3 248.414 3.372 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423459074 387305843 /nfs/dbraw/zinc/30/58/43/387305843.db2.gz HNZOPRCEPPLDAH-SWLSCSKDSA-N 1 3 248.414 3.372 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423459075 387306072 /nfs/dbraw/zinc/30/60/72/387306072.db2.gz HNZOPRCEPPLDAH-WFASDCNBSA-N 1 3 248.414 3.372 20 0 BGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000423459338 387305696 /nfs/dbraw/zinc/30/56/96/387305696.db2.gz HSZFOLFLFIKSKZ-DOMZBBRYSA-N 1 3 234.387 3.198 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000423459339 387307344 /nfs/dbraw/zinc/30/73/44/387307344.db2.gz HSZFOLFLFIKSKZ-IUODEOHRSA-N 1 3 234.387 3.198 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000423459340 387306087 /nfs/dbraw/zinc/30/60/87/387306087.db2.gz HSZFOLFLFIKSKZ-SWLSCSKDSA-N 1 3 234.387 3.198 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000423459341 387307123 /nfs/dbraw/zinc/30/71/23/387307123.db2.gz HSZFOLFLFIKSKZ-WFASDCNBSA-N 1 3 234.387 3.198 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000423460507 387308643 /nfs/dbraw/zinc/30/86/43/387308643.db2.gz IXYQDZWXADPZQO-JBLDHEPKSA-N 1 3 238.400 3.013 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423460508 387308438 /nfs/dbraw/zinc/30/84/38/387308438.db2.gz IXYQDZWXADPZQO-JFGNBEQYSA-N 1 3 238.400 3.013 20 0 BGADHO CC[C@H](N)C[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000423460509 387309475 /nfs/dbraw/zinc/30/94/75/387309475.db2.gz IXYQDZWXADPZQO-NHCYSSNCSA-N 1 3 238.400 3.013 20 0 BGADHO CC[C@H](N)C[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423460510 387308489 /nfs/dbraw/zinc/30/84/89/387308489.db2.gz IXYQDZWXADPZQO-SCVCMEIPSA-N 1 3 238.400 3.013 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000423460519 387308595 /nfs/dbraw/zinc/30/85/95/387308595.db2.gz IYNHLZXDDDUQOW-CHWSQXEVSA-N 1 3 248.414 3.372 20 0 BGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000423460520 387308945 /nfs/dbraw/zinc/30/89/45/387308945.db2.gz IYNHLZXDDDUQOW-OLZOCXBDSA-N 1 3 248.414 3.372 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423460521 387308971 /nfs/dbraw/zinc/30/89/71/387308971.db2.gz IYNHLZXDDDUQOW-QWHCGFSZSA-N 1 3 248.414 3.372 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423460522 387309211 /nfs/dbraw/zinc/30/92/11/387309211.db2.gz IYNHLZXDDDUQOW-STQMWFEESA-N 1 3 248.414 3.372 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000423461042 387307942 /nfs/dbraw/zinc/30/79/42/387307942.db2.gz JGDLLNUIXFCSLZ-DOMZBBRYSA-N 1 3 234.387 3.027 20 0 BGADHO CCCc1ccc([C@@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000423461045 387308277 /nfs/dbraw/zinc/30/82/77/387308277.db2.gz JGDLLNUIXFCSLZ-IUODEOHRSA-N 1 3 234.387 3.027 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000423461046 387308929 /nfs/dbraw/zinc/30/89/29/387308929.db2.gz JGDLLNUIXFCSLZ-SWLSCSKDSA-N 1 3 234.387 3.027 20 0 BGADHO CCCc1ccc([C@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000423461047 387308220 /nfs/dbraw/zinc/30/82/20/387308220.db2.gz JGDLLNUIXFCSLZ-WFASDCNBSA-N 1 3 234.387 3.027 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000423469342 387316812 /nfs/dbraw/zinc/31/68/12/387316812.db2.gz OUNFLWRNPGKOMP-NEPJUHHUSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@H](N)C[NH2+][C@H](CC(C)C)c1cccs1 ZINC000423469345 387316541 /nfs/dbraw/zinc/31/65/41/387316541.db2.gz OUNFLWRNPGKOMP-NWDGAFQWSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000423469346 387316846 /nfs/dbraw/zinc/31/68/46/387316846.db2.gz OUNFLWRNPGKOMP-RYUDHWBXSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H](CC(C)C)c1cccs1 ZINC000423469347 387317330 /nfs/dbraw/zinc/31/73/30/387317330.db2.gz OUNFLWRNPGKOMP-VXGBXAGGSA-N 1 3 240.416 3.162 20 0 BGADHO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)[C@H](C)N ZINC000423471020 387317357 /nfs/dbraw/zinc/31/73/57/387317357.db2.gz PNOPDMYXBNEFOQ-AXFHLTTASA-N 1 3 248.395 3.288 20 0 BGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423471038 387317308 /nfs/dbraw/zinc/31/73/08/387317308.db2.gz PNOPDMYXBNEFOQ-DCAQKATOSA-N 1 3 248.395 3.288 20 0 BGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423471039 387316452 /nfs/dbraw/zinc/31/64/52/387316452.db2.gz PNOPDMYXBNEFOQ-MXWKQRLJSA-N 1 3 248.395 3.288 20 0 BGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423471041 387317721 /nfs/dbraw/zinc/31/77/21/387317721.db2.gz PNOPDMYXBNEFOQ-VWYCJHECSA-N 1 3 248.395 3.288 20 0 BGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)N)c2ccccc21 ZINC000423471777 387320459 /nfs/dbraw/zinc/32/04/59/387320459.db2.gz PZGUMMZWVZRHJC-APYUEPQZSA-N 1 3 246.398 3.196 20 0 BGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](C)N)c2ccccc21 ZINC000423471780 387319928 /nfs/dbraw/zinc/31/99/28/387319928.db2.gz PZGUMMZWVZRHJC-KNPMLCFXSA-N 1 3 246.398 3.196 20 0 BGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](C)N)c2ccccc21 ZINC000423471781 387320047 /nfs/dbraw/zinc/32/00/47/387320047.db2.gz PZGUMMZWVZRHJC-MPTQWLOMSA-N 1 3 246.398 3.196 20 0 BGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](C)N)c2ccccc21 ZINC000423471782 387320170 /nfs/dbraw/zinc/32/01/70/387320170.db2.gz PZGUMMZWVZRHJC-VZAMPYOESA-N 1 3 246.398 3.196 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423478317 387324073 /nfs/dbraw/zinc/32/40/73/387324073.db2.gz ULBOKAVSJVJGNM-DOMZBBRYSA-N 1 3 246.398 3.126 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423478330 387323541 /nfs/dbraw/zinc/32/35/41/387323541.db2.gz ULBOKAVSJVJGNM-IUODEOHRSA-N 1 3 246.398 3.126 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423478333 387323592 /nfs/dbraw/zinc/32/35/92/387323592.db2.gz ULBOKAVSJVJGNM-SWLSCSKDSA-N 1 3 246.398 3.126 20 0 BGADHO CC[C@H](N)C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423478335 387323577 /nfs/dbraw/zinc/32/35/77/387323577.db2.gz ULBOKAVSJVJGNM-WFASDCNBSA-N 1 3 246.398 3.126 20 0 BGADHO CCCC[C@H]([NH2+]C[C@H](N)CC)c1ccccc1 ZINC000423481521 387364082 /nfs/dbraw/zinc/36/40/82/387364082.db2.gz WUCRXKRMEWNDDI-CABCVRRESA-N 1 3 234.387 3.245 20 0 BGADHO CCCC[C@H]([NH2+]C[C@@H](N)CC)c1ccccc1 ZINC000423481532 387364502 /nfs/dbraw/zinc/36/45/02/387364502.db2.gz WUCRXKRMEWNDDI-GJZGRUSLSA-N 1 3 234.387 3.245 20 0 BGADHO CCCC[C@@H]([NH2+]C[C@H](N)CC)c1ccccc1 ZINC000423481533 387364271 /nfs/dbraw/zinc/36/42/71/387364271.db2.gz WUCRXKRMEWNDDI-HUUCEWRRSA-N 1 3 234.387 3.245 20 0 BGADHO CCCC[C@@H]([NH2+]C[C@@H](N)CC)c1ccccc1 ZINC000423481534 387362756 /nfs/dbraw/zinc/36/27/56/387362756.db2.gz WUCRXKRMEWNDDI-LSDHHAIUSA-N 1 3 234.387 3.245 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423481981 387327652 /nfs/dbraw/zinc/32/76/52/387327652.db2.gz XCASWEFJVRZNEM-APHBMKBZSA-N 1 3 246.398 3.198 20 0 BGADHO CC[C@H](N)C[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423481984 387326330 /nfs/dbraw/zinc/32/63/30/387326330.db2.gz XCASWEFJVRZNEM-MAZHCROVSA-N 1 3 246.398 3.198 20 0 BGADHO CC[C@H](N)C[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000423481986 387326186 /nfs/dbraw/zinc/32/61/86/387326186.db2.gz XCASWEFJVRZNEM-RCBQFDQVSA-N 1 3 246.398 3.198 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000423481987 387327262 /nfs/dbraw/zinc/32/72/62/387327262.db2.gz XCASWEFJVRZNEM-VBNZEHGJSA-N 1 3 246.398 3.198 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423483440 387329645 /nfs/dbraw/zinc/32/96/45/387329645.db2.gz XUXFRPFQGNSRCM-CMPLNLGQSA-N 1 3 248.395 3.289 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423483444 387329654 /nfs/dbraw/zinc/32/96/54/387329654.db2.gz XUXFRPFQGNSRCM-JQWIXIFHSA-N 1 3 248.395 3.289 20 0 BGADHO CC[C@H](N)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423483446 387328347 /nfs/dbraw/zinc/32/83/47/387328347.db2.gz XUXFRPFQGNSRCM-PWSUYJOCSA-N 1 3 248.395 3.289 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423483448 387329868 /nfs/dbraw/zinc/32/98/68/387329868.db2.gz XUXFRPFQGNSRCM-ZYHUDNBSSA-N 1 3 248.395 3.289 20 0 BGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423485341 387332510 /nfs/dbraw/zinc/33/25/10/387332510.db2.gz ZEMKANBOFBGJTE-HUBLWGQQSA-N 1 3 246.398 3.124 20 0 BGADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423485342 387332363 /nfs/dbraw/zinc/33/23/63/387332363.db2.gz ZEMKANBOFBGJTE-SLEUVZQESA-N 1 3 246.398 3.124 20 0 BGADHO C[C@@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)[C@H](C)N ZINC000423485343 387331216 /nfs/dbraw/zinc/33/12/16/387331216.db2.gz ZEMKANBOFBGJTE-YWPYICTPSA-N 1 3 246.398 3.124 20 0 BGADHO C[C@@H]([NH2+][C@H]1CCC(C)(C)c2ccccc21)[C@H](C)N ZINC000423485344 387331951 /nfs/dbraw/zinc/33/19/51/387331951.db2.gz ZEMKANBOFBGJTE-ZOWXZIJZSA-N 1 3 246.398 3.124 20 0 BGADHO CC[C@@H](N)C[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000423486029 387332141 /nfs/dbraw/zinc/33/21/41/387332141.db2.gz ZKQKIQJYQDHXDA-CHWSQXEVSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000423486030 387330751 /nfs/dbraw/zinc/33/07/51/387330751.db2.gz ZKQKIQJYQDHXDA-OLZOCXBDSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1cccc(Cl)c1 ZINC000423486031 387330685 /nfs/dbraw/zinc/33/06/85/387330685.db2.gz ZKQKIQJYQDHXDA-QWHCGFSZSA-N 1 3 240.778 3.118 20 0 BGADHO CC[C@H](N)C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000423486032 387331235 /nfs/dbraw/zinc/33/12/35/387331235.db2.gz ZKQKIQJYQDHXDA-STQMWFEESA-N 1 3 240.778 3.118 20 0 BGADHO CC(C)Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000423486838 387334734 /nfs/dbraw/zinc/33/47/34/387334734.db2.gz ZZDRVWNSKVXZBH-IHRRRGAJSA-N 1 3 248.414 3.271 20 0 BGADHO CC(C)Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000423486844 387333664 /nfs/dbraw/zinc/33/36/64/387333664.db2.gz ZZDRVWNSKVXZBH-MCIONIFRSA-N 1 3 248.414 3.271 20 0 BGADHO CC(C)Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)c1 ZINC000423486845 192790960 /nfs/dbraw/zinc/79/09/60/192790960.db2.gz ZZDRVWNSKVXZBH-MJBXVCDLSA-N 1 3 248.414 3.271 20 0 BGADHO CC(C)Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000423486846 387334385 /nfs/dbraw/zinc/33/43/85/387334385.db2.gz ZZDRVWNSKVXZBH-RDBSUJKOSA-N 1 3 248.414 3.271 20 0 BGADHO CC[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423508681 387345286 /nfs/dbraw/zinc/34/52/86/387345286.db2.gz JACBZHCYVBKCTQ-CVEARBPZSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423508684 387344522 /nfs/dbraw/zinc/34/45/22/387344522.db2.gz JACBZHCYVBKCTQ-HOTGVXAUSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423508686 387345378 /nfs/dbraw/zinc/34/53/78/387345378.db2.gz JACBZHCYVBKCTQ-HZPDHXFCSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000423508688 387345162 /nfs/dbraw/zinc/34/51/62/387345162.db2.gz JACBZHCYVBKCTQ-JKSUJKDBSA-N 1 3 246.398 3.245 20 0 BGADHO CC[C@H]([NH2+]CCCNC1CC1)c1ccc(C)cc1 ZINC000423527625 387355653 /nfs/dbraw/zinc/35/56/53/387355653.db2.gz MVZCUFHEXJBYTM-INIZCTEOSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@@H]([NH2+]CCCNC1CC1)c1ccc(C)cc1 ZINC000423527626 387356537 /nfs/dbraw/zinc/35/65/37/387356537.db2.gz MVZCUFHEXJBYTM-MRXNPFEDSA-N 1 3 246.398 3.178 20 0 BGADHO Cc1cccc([C@H](C)[NH2+]CCCNC2CC2)c1C ZINC000423528426 387360015 /nfs/dbraw/zinc/36/00/15/387360015.db2.gz OCAVHHHPPNURPD-AWEZNQCLSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1cccc([C@@H](C)[NH2+]CCCNC2CC2)c1C ZINC000423528428 387359621 /nfs/dbraw/zinc/35/96/21/387359621.db2.gz OCAVHHHPPNURPD-CQSZACIVSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@H](C)[NH2+]CCCNC2CC2)c(C)c1 ZINC000423530387 387359920 /nfs/dbraw/zinc/35/99/20/387359920.db2.gz RHZVXMFWVQANIH-AWEZNQCLSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@@H](C)[NH2+]CCCNC2CC2)c(C)c1 ZINC000423530388 387358180 /nfs/dbraw/zinc/35/81/80/387358180.db2.gz RHZVXMFWVQANIH-CQSZACIVSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@H](C)[NH2+]CCCNC2CC2)cc1C ZINC000423530989 387357525 /nfs/dbraw/zinc/35/75/25/387357525.db2.gz SAODEFLYWJLNRK-AWEZNQCLSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc([C@@H](C)[NH2+]CCCNC2CC2)cc1C ZINC000423530990 387357991 /nfs/dbraw/zinc/35/79/91/387357991.db2.gz SAODEFLYWJLNRK-CQSZACIVSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC2CC2)c1 ZINC000423532104 387357969 /nfs/dbraw/zinc/35/79/69/387357969.db2.gz UQVDVAAOSKHJSK-AWEZNQCLSA-N 1 3 246.398 3.096 20 0 BGADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC2CC2)c1 ZINC000423532105 387359488 /nfs/dbraw/zinc/35/94/88/387359488.db2.gz UQVDVAAOSKHJSK-CQSZACIVSA-N 1 3 246.398 3.096 20 0 BGADHO CC(C)CC(CC(C)C)[NH2+]CCCNC1CC1 ZINC000423532140 387359786 /nfs/dbraw/zinc/35/97/86/387359786.db2.gz UTZMXALHXRDZFN-UHFFFAOYSA-N 1 3 240.435 3.179 20 0 BGADHO CCC[C@H]([NH2+]CCCNC1CC1)c1ccccc1 ZINC000423533038 387359860 /nfs/dbraw/zinc/35/98/60/387359860.db2.gz WLXGVKBRDFIXHN-INIZCTEOSA-N 1 3 246.398 3.260 20 0 BGADHO CCC[C@@H]([NH2+]CCCNC1CC1)c1ccccc1 ZINC000423533039 192804649 /nfs/dbraw/zinc/80/46/49/192804649.db2.gz WLXGVKBRDFIXHN-MRXNPFEDSA-N 1 3 246.398 3.260 20 0 BGADHO CC(C)[C@H]([NH2+]CCCNC1CC1)c1ccccc1 ZINC000423534304 387361343 /nfs/dbraw/zinc/36/13/43/387361343.db2.gz ZYXNATDNKDJSEK-INIZCTEOSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)[C@H](NCCC[NH2+]C1CC1)c1ccccc1 ZINC000423534304 387361336 /nfs/dbraw/zinc/36/13/36/387361336.db2.gz ZYXNATDNKDJSEK-INIZCTEOSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)[C@@H]([NH2+]CCCNC1CC1)c1ccccc1 ZINC000423534305 387360487 /nfs/dbraw/zinc/36/04/87/387360487.db2.gz ZYXNATDNKDJSEK-MRXNPFEDSA-N 1 3 246.398 3.115 20 0 BGADHO CC(C)[C@@H](NCCC[NH2+]C1CC1)c1ccccc1 ZINC000423534305 387360485 /nfs/dbraw/zinc/36/04/85/387360485.db2.gz ZYXNATDNKDJSEK-MRXNPFEDSA-N 1 3 246.398 3.115 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000423534376 387361126 /nfs/dbraw/zinc/36/11/26/387361126.db2.gz VSVAPBIBYNTFAT-BBRMVZONSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000423534377 387360881 /nfs/dbraw/zinc/36/08/81/387360881.db2.gz VSVAPBIBYNTFAT-CJNGLKHVSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000423534378 387360733 /nfs/dbraw/zinc/36/07/33/387360733.db2.gz VSVAPBIBYNTFAT-CZUORRHYSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccccc1[C@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000423534379 387362241 /nfs/dbraw/zinc/36/22/41/387362241.db2.gz VSVAPBIBYNTFAT-XJKSGUPXSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccc([C@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534985 387361857 /nfs/dbraw/zinc/36/18/57/387361857.db2.gz WXLZPTQRLREKPE-BBRMVZONSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534986 387361548 /nfs/dbraw/zinc/36/15/48/387361548.db2.gz WXLZPTQRLREKPE-CJNGLKHVSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccc([C@@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534987 387360561 /nfs/dbraw/zinc/36/05/61/387360561.db2.gz WXLZPTQRLREKPE-CZUORRHYSA-N 1 3 246.398 3.163 20 0 BGADHO Cc1ccc([C@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534988 387361404 /nfs/dbraw/zinc/36/14/04/387361404.db2.gz WXLZPTQRLREKPE-XJKSGUPXSA-N 1 3 246.398 3.163 20 0 BGADHO CC[C@H]([NH2+]CCCNC1CC1)c1cccc(C)c1 ZINC000423546579 387369582 /nfs/dbraw/zinc/36/95/82/387369582.db2.gz FNTCVQMACZASAZ-INIZCTEOSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@@H]([NH2+]CCCNC1CC1)c1cccc(C)c1 ZINC000423546581 387370638 /nfs/dbraw/zinc/37/06/38/387370638.db2.gz FNTCVQMACZASAZ-MRXNPFEDSA-N 1 3 246.398 3.178 20 0 BGADHO CCC[C@H]([NH2+]CCCNC1CC1)C1CCCC1 ZINC000423564843 387376894 /nfs/dbraw/zinc/37/68/94/387376894.db2.gz SFALMXGNNUMSRO-HNNXBMFYSA-N 1 3 238.419 3.077 20 0 BGADHO CCC[C@@H]([NH2+]CCCNC1CC1)C1CCCC1 ZINC000423564844 387377984 /nfs/dbraw/zinc/37/79/84/387377984.db2.gz SFALMXGNNUMSRO-OAHLLOKOSA-N 1 3 238.419 3.077 20 0 BGADHO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424375170 387998918 /nfs/dbraw/zinc/99/89/18/387998918.db2.gz MMYCCLWEOIUKNT-APHBMKBZSA-N 1 3 246.398 3.170 20 0 BGADHO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424375171 387999142 /nfs/dbraw/zinc/99/91/42/387999142.db2.gz MMYCCLWEOIUKNT-DAXOMENPSA-N 1 3 246.398 3.170 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccsc1 ZINC000424377278 529656806 /nfs/dbraw/zinc/65/68/06/529656806.db2.gz QWXKFVVOIXCLHL-FRRDWIJNSA-N 1 3 238.400 3.059 20 0 BGADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccsc1 ZINC000424377279 529202496 /nfs/dbraw/zinc/20/24/96/529202496.db2.gz QWXKFVVOIXCLHL-JHJVBQTASA-N 1 3 238.400 3.059 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000425923248 386638897 /nfs/dbraw/zinc/63/88/97/386638897.db2.gz NVBKFXYDFYJTFE-KFWWJZLASA-N 1 3 240.435 3.133 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000425923250 386637533 /nfs/dbraw/zinc/63/75/33/386637533.db2.gz NVBKFXYDFYJTFE-RBSFLKMASA-N 1 3 240.435 3.133 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN(C)C ZINC000425923252 386637632 /nfs/dbraw/zinc/63/76/32/386637632.db2.gz NVBKFXYDFYJTFE-RRFJBIMHSA-N 1 3 240.435 3.133 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN(C)C ZINC000425923254 386637859 /nfs/dbraw/zinc/63/78/59/386637859.db2.gz NVBKFXYDFYJTFE-ZNMIVQPWSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425930735 386670522 /nfs/dbraw/zinc/67/05/22/386670522.db2.gz JASAPGZBSDRFGU-KKUMJFAQSA-N 1 3 242.451 3.235 20 0 BGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425930736 386671045 /nfs/dbraw/zinc/67/10/45/386671045.db2.gz JASAPGZBSDRFGU-RRFJBIMHSA-N 1 3 242.451 3.235 20 0 BGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425930737 386672194 /nfs/dbraw/zinc/67/21/94/386672194.db2.gz JASAPGZBSDRFGU-SOUVJXGZSA-N 1 3 242.451 3.235 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425930738 386671711 /nfs/dbraw/zinc/67/17/11/386671711.db2.gz JASAPGZBSDRFGU-ZNMIVQPWSA-N 1 3 242.451 3.235 20 0 BGADHO C[C@@H](C[NH2+][C@@H](C)C1CCCCCC1)CN(C)C ZINC000425944669 386756053 /nfs/dbraw/zinc/75/60/53/386756053.db2.gz NXBCIPREGIEEQN-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](C[NH2+][C@@H](C)C1CCCCCC1)CN(C)C ZINC000425944670 386757859 /nfs/dbraw/zinc/75/78/59/386757859.db2.gz NXBCIPREGIEEQN-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCCCCC1 ZINC000425944671 386757144 /nfs/dbraw/zinc/75/71/44/386757144.db2.gz NXBCIPREGIEEQN-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](C[NH2+][C@H](C)C1CCCCCC1)CN(C)C ZINC000425944672 205835002 /nfs/dbraw/zinc/83/50/02/205835002.db2.gz NXBCIPREGIEEQN-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CCC1(C)CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000425944877 386757365 /nfs/dbraw/zinc/75/73/65/386757365.db2.gz OQKHDOMHBSCBRR-NFOMZHRRSA-N 1 3 240.435 3.133 20 0 BGADHO CCC1(C)CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000425944878 386756243 /nfs/dbraw/zinc/75/62/43/386756243.db2.gz OQKHDOMHBSCBRR-WLYUNCDWSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@@H](C[NH2+][C@@H](C)CCC1CCCC1)CN(C)C ZINC000425946418 386756859 /nfs/dbraw/zinc/75/68/59/386756859.db2.gz OTKOSKXMWMWNSY-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](C[NH2+][C@@H](C)CCC1CCCC1)CN(C)C ZINC000425946419 386757084 /nfs/dbraw/zinc/75/70/84/386757084.db2.gz OTKOSKXMWMWNSY-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+]C[C@H](C)CN(C)C ZINC000425946420 191809534 /nfs/dbraw/zinc/80/95/34/191809534.db2.gz OTKOSKXMWMWNSY-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](C[NH2+][C@H](C)CCC1CCCC1)CN(C)C ZINC000425946421 386757491 /nfs/dbraw/zinc/75/74/91/386757491.db2.gz OTKOSKXMWMWNSY-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCCCC1 ZINC000425951518 386916233 /nfs/dbraw/zinc/91/62/33/386916233.db2.gz MYWIKLNBLDKAHR-DZGCQCFKSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1CCCCC1 ZINC000425951520 386916457 /nfs/dbraw/zinc/91/64/57/386916457.db2.gz MYWIKLNBLDKAHR-HIFRSBDPSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1CCCCC1 ZINC000425951521 386916423 /nfs/dbraw/zinc/91/64/23/386916423.db2.gz MYWIKLNBLDKAHR-UKRRQHHQSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)C1CCCCC1 ZINC000425951523 386915108 /nfs/dbraw/zinc/91/51/08/386915108.db2.gz MYWIKLNBLDKAHR-ZFWWWQNUSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000426483035 387573355 /nfs/dbraw/zinc/57/33/55/387573355.db2.gz HSWWESCTZGHQQV-HNNXBMFYSA-N 1 3 240.435 3.229 20 0 BGADHO CC(C)CCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000426483035 387573351 /nfs/dbraw/zinc/57/33/51/387573351.db2.gz HSWWESCTZGHQQV-HNNXBMFYSA-N 1 3 240.435 3.229 20 0 BGADHO CC(C)CCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000426483036 387574669 /nfs/dbraw/zinc/57/46/69/387574669.db2.gz HSWWESCTZGHQQV-OAHLLOKOSA-N 1 3 240.435 3.229 20 0 BGADHO CC(C)CCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000426483036 387574663 /nfs/dbraw/zinc/57/46/63/387574663.db2.gz HSWWESCTZGHQQV-OAHLLOKOSA-N 1 3 240.435 3.229 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC000429048130 191091836 /nfs/dbraw/zinc/09/18/36/191091836.db2.gz RFAGYJHSVGCXSS-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC000429048130 191091833 /nfs/dbraw/zinc/09/18/33/191091833.db2.gz RFAGYJHSVGCXSS-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCC(C)C)C1 ZINC000429048130 191091830 /nfs/dbraw/zinc/09/18/30/191091830.db2.gz RFAGYJHSVGCXSS-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[N@H+](C)C[C@@H]1CCN(CCCC(C)C)C1 ZINC000429048130 191091828 /nfs/dbraw/zinc/09/18/28/191091828.db2.gz RFAGYJHSVGCXSS-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC000429048131 191091534 /nfs/dbraw/zinc/09/15/34/191091534.db2.gz RFAGYJHSVGCXSS-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCCN(C)C[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC000429048131 191091531 /nfs/dbraw/zinc/09/15/31/191091531.db2.gz RFAGYJHSVGCXSS-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[N@@H+](C)C[C@H]1CCN(CCCC(C)C)C1 ZINC000429048131 191091529 /nfs/dbraw/zinc/09/15/29/191091529.db2.gz RFAGYJHSVGCXSS-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[N@H+](C)C[C@H]1CCN(CCCC(C)C)C1 ZINC000429048131 191091526 /nfs/dbraw/zinc/09/15/26/191091526.db2.gz RFAGYJHSVGCXSS-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC000429054981 201064828 /nfs/dbraw/zinc/06/48/28/201064828.db2.gz RNODDVIQUFHMLW-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC000429054981 201064826 /nfs/dbraw/zinc/06/48/26/201064826.db2.gz RNODDVIQUFHMLW-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CC[NH+](CC)C[C@@H]1CCN(CCCC(C)C)C1 ZINC000429054981 201064823 /nfs/dbraw/zinc/06/48/23/201064823.db2.gz RNODDVIQUFHMLW-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)C[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC000429054982 201062825 /nfs/dbraw/zinc/06/28/25/201062825.db2.gz RNODDVIQUFHMLW-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)C[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC000429054982 201062821 /nfs/dbraw/zinc/06/28/21/201062821.db2.gz RNODDVIQUFHMLW-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CC[NH+](CC)C[C@H]1CCN(CCCC(C)C)C1 ZINC000429054982 201062818 /nfs/dbraw/zinc/06/28/18/201062818.db2.gz RNODDVIQUFHMLW-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CC[NH+](CC)CCCN(C1CCC1)C1CCC1 ZINC000429175525 201077687 /nfs/dbraw/zinc/07/76/87/201077687.db2.gz UGAKWNUYLHAXNC-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CCN(CC)CCC[NH+](C1CCC1)C1CCC1 ZINC000429175525 201077683 /nfs/dbraw/zinc/07/76/83/201077683.db2.gz UGAKWNUYLHAXNC-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CCC(C)(C)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429533829 201112914 /nfs/dbraw/zinc/11/29/14/201112914.db2.gz YDHGUMPPPYMRMH-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CCC(C)(C)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429533829 201112911 /nfs/dbraw/zinc/11/29/11/201112911.db2.gz YDHGUMPPPYMRMH-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CCC(C)(C)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429533830 201112509 /nfs/dbraw/zinc/11/25/09/201112509.db2.gz YDHGUMPPPYMRMH-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CCC(C)(C)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429533830 201112508 /nfs/dbraw/zinc/11/25/08/201112508.db2.gz YDHGUMPPPYMRMH-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CN(C)Cc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433147273 387871556 /nfs/dbraw/zinc/87/15/56/387871556.db2.gz CJXYUMXBPOOPTN-UHFFFAOYSA-N 1 3 246.398 3.026 20 0 BGADHO CN(C)Cc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433149692 387870894 /nfs/dbraw/zinc/87/08/94/387870894.db2.gz JSPSHSUSGNOTCQ-UHFFFAOYSA-N 1 3 246.398 3.026 20 0 BGADHO CCC[NH+](CCC)CCCNC1CC(C)(C)C1 ZINC000433176296 201164513 /nfs/dbraw/zinc/16/45/13/201164513.db2.gz OHMYSNZMHSOMBY-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO C[C@H](CC[NH2+]C1CC(C)(C)C1)N1CCCCC1 ZINC000433237631 201171801 /nfs/dbraw/zinc/17/18/01/201171801.db2.gz YVFQMWICBLXWGN-CYBMUJFWSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H](CC[NH2+]C1CC(C)(C)C1)N1CCCCC1 ZINC000433237632 201170397 /nfs/dbraw/zinc/17/03/97/201170397.db2.gz YVFQMWICBLXWGN-ZDUSSCGKSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)[NH+](CCCNC1CC(C)(C)C1)C(C)C ZINC000433291107 192840456 /nfs/dbraw/zinc/84/04/56/192840456.db2.gz UUEPKMSQVIOPEI-UHFFFAOYSA-N 1 3 240.435 3.274 20 0 BGADHO C[C@@H](CC[NH2+]CC1(C)CCC1)N1CCCCC1 ZINC000434761207 541390248 /nfs/dbraw/zinc/39/02/48/541390248.db2.gz WEDZJLAWSGKROO-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@H](CC[NH2+]CC1(C)CCC1)N1CCCCC1 ZINC000434761208 541390672 /nfs/dbraw/zinc/39/06/72/541390672.db2.gz WEDZJLAWSGKROO-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CC1(C[NH2+]C2CC(C)(C)NC(C)(C)C2)CCC1 ZINC000434762832 537898249 /nfs/dbraw/zinc/89/82/49/537898249.db2.gz IORGNWUTCWPGDC-UHFFFAOYSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)[NH+](CCCNCC1(C)CCC1)C(C)C ZINC000434772802 537898214 /nfs/dbraw/zinc/89/82/14/537898214.db2.gz HRJMGDBPEHLOIS-UHFFFAOYSA-N 1 3 240.435 3.275 20 0 BGADHO CCCN(CCC)CCC[NH2+]CC1(C)CCC1 ZINC000434773154 537898503 /nfs/dbraw/zinc/89/85/03/537898503.db2.gz FVPDCSBESOLEKU-UHFFFAOYSA-N 1 3 240.435 3.278 20 0 BGADHO CCC[NH+](CCC)CCCNCC1(C)CCC1 ZINC000434773154 537898495 /nfs/dbraw/zinc/89/84/95/537898495.db2.gz FVPDCSBESOLEKU-UHFFFAOYSA-N 1 3 240.435 3.278 20 0 BGADHO CN(C)Cc1cccc(C[NH2+]CC2(C)CCC2)c1 ZINC000434774947 537900512 /nfs/dbraw/zinc/90/05/12/537900512.db2.gz NCQVXAXJDMZOGX-UHFFFAOYSA-N 1 3 246.398 3.028 20 0 BGADHO CC[N@@H+](CC1CCCCC1)[C@H]1CCCNCC1 ZINC000435389691 201268603 /nfs/dbraw/zinc/26/86/03/201268603.db2.gz LXCYKHBRALBSHF-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@H+](CC1CCCCC1)[C@H]1CCCNCC1 ZINC000435389691 201268600 /nfs/dbraw/zinc/26/86/00/201268600.db2.gz LXCYKHBRALBSHF-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@@H+](CC1CCCCC1)[C@@H]1CCCNCC1 ZINC000435389692 201268821 /nfs/dbraw/zinc/26/88/21/201268821.db2.gz LXCYKHBRALBSHF-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@H+](CC1CCCCC1)[C@@H]1CCCNCC1 ZINC000435389692 201268818 /nfs/dbraw/zinc/26/88/18/201268818.db2.gz LXCYKHBRALBSHF-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@@H+](CCCC1CCCC1)[C@H]1CCCNCC1 ZINC000435622370 201279621 /nfs/dbraw/zinc/27/96/21/201279621.db2.gz RHAOMHSYXXRBMQ-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@H+](CCCC1CCCC1)[C@H]1CCCNCC1 ZINC000435622370 201279617 /nfs/dbraw/zinc/27/96/17/201279617.db2.gz RHAOMHSYXXRBMQ-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@@H+](CCCC1CCCC1)[C@@H]1CCCNCC1 ZINC000435622372 201280547 /nfs/dbraw/zinc/28/05/47/201280547.db2.gz RHAOMHSYXXRBMQ-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@H+](CCCC1CCCC1)[C@@H]1CCCNCC1 ZINC000435622372 201280544 /nfs/dbraw/zinc/28/05/44/201280544.db2.gz RHAOMHSYXXRBMQ-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@@H+](CCC1CCCC1)[C@H]1CCCNCC1 ZINC000435628662 201279898 /nfs/dbraw/zinc/27/98/98/201279898.db2.gz VPUMLJCOEWIZKC-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@H+](CCC1CCCC1)[C@H]1CCCNCC1 ZINC000435628662 201279897 /nfs/dbraw/zinc/27/98/97/201279897.db2.gz VPUMLJCOEWIZKC-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@@H+](CCC1CCCC1)[C@@H]1CCCNCC1 ZINC000435628664 201280273 /nfs/dbraw/zinc/28/02/73/201280273.db2.gz VPUMLJCOEWIZKC-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@H+](CCC1CCCC1)[C@@H]1CCCNCC1 ZINC000435628664 201280270 /nfs/dbraw/zinc/28/02/70/201280270.db2.gz VPUMLJCOEWIZKC-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CCC1CCC([N@@H+](CCCNC)C2CC2)CC1 ZINC000435873005 201293388 /nfs/dbraw/zinc/29/33/88/201293388.db2.gz APPOYNGFNDKFEU-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CCC1CCC([N@H+](CCCNC)C2CC2)CC1 ZINC000435873005 201293385 /nfs/dbraw/zinc/29/33/85/201293385.db2.gz APPOYNGFNDKFEU-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO C[NH2+]CCCN1CCC[C@H]1c1cccc(C)c1C ZINC000435875440 201294019 /nfs/dbraw/zinc/29/40/19/201294019.db2.gz CQAUCVUVPRXLGA-INIZCTEOSA-N 1 3 246.398 3.050 20 0 BGADHO C[NH2+]CCCN1CCC[C@@H]1c1cccc(C)c1C ZINC000435875441 201293193 /nfs/dbraw/zinc/29/31/93/201293193.db2.gz CQAUCVUVPRXLGA-MRXNPFEDSA-N 1 3 246.398 3.050 20 0 BGADHO CNCCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000435875832 201293095 /nfs/dbraw/zinc/29/30/95/201293095.db2.gz FLELVRZSLOYCOK-INIZCTEOSA-N 1 3 246.398 3.213 20 0 BGADHO CNCCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000435875832 201293091 /nfs/dbraw/zinc/29/30/91/201293091.db2.gz FLELVRZSLOYCOK-INIZCTEOSA-N 1 3 246.398 3.213 20 0 BGADHO C[NH2+]CCCN1CCCCC[C@H]1c1ccccc1 ZINC000435875832 201293089 /nfs/dbraw/zinc/29/30/89/201293089.db2.gz FLELVRZSLOYCOK-INIZCTEOSA-N 1 3 246.398 3.213 20 0 BGADHO CNCCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000435875833 201293769 /nfs/dbraw/zinc/29/37/69/201293769.db2.gz FLELVRZSLOYCOK-MRXNPFEDSA-N 1 3 246.398 3.213 20 0 BGADHO CNCCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000435875833 201293767 /nfs/dbraw/zinc/29/37/67/201293767.db2.gz FLELVRZSLOYCOK-MRXNPFEDSA-N 1 3 246.398 3.213 20 0 BGADHO C[NH2+]CCCN1CCCCC[C@@H]1c1ccccc1 ZINC000435875833 201293764 /nfs/dbraw/zinc/29/37/64/201293764.db2.gz FLELVRZSLOYCOK-MRXNPFEDSA-N 1 3 246.398 3.213 20 0 BGADHO C[NH2+]CCCN(Cc1ccccc1)CC(C)(C)C ZINC000435878501 201294082 /nfs/dbraw/zinc/29/40/82/201294082.db2.gz CJQDPJOHERQFDO-UHFFFAOYSA-N 1 3 248.414 3.144 20 0 BGADHO C[NH2+]CCCN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000435878628 201292590 /nfs/dbraw/zinc/29/25/90/201292590.db2.gz DRSAGTWHTWHXFO-INIZCTEOSA-N 1 3 246.398 3.050 20 0 BGADHO C[NH2+]CCCN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000435878629 201291513 /nfs/dbraw/zinc/29/15/13/201291513.db2.gz DRSAGTWHTWHXFO-MRXNPFEDSA-N 1 3 246.398 3.050 20 0 BGADHO CNCCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000435883580 201296475 /nfs/dbraw/zinc/29/64/75/201296475.db2.gz ZWCQEDHSLPXXHB-UHFFFAOYSA-N 1 3 238.419 3.032 20 0 BGADHO CNCCC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000435883580 201296473 /nfs/dbraw/zinc/29/64/73/201296473.db2.gz ZWCQEDHSLPXXHB-UHFFFAOYSA-N 1 3 238.419 3.032 20 0 BGADHO C[NH2+]CCCN1CCCC2(C1)CCCCCC2 ZINC000435883580 201296470 /nfs/dbraw/zinc/29/64/70/201296470.db2.gz ZWCQEDHSLPXXHB-UHFFFAOYSA-N 1 3 238.419 3.032 20 0 BGADHO CC[C@@H](c1ccccc1)[N@@H+](CC)CCCNC ZINC000435886013 201295479 /nfs/dbraw/zinc/29/54/79/201295479.db2.gz RFBHEPXHVWYNNL-HNNXBMFYSA-N 1 3 234.387 3.069 20 0 BGADHO CC[C@@H](c1ccccc1)[N@H+](CC)CCCNC ZINC000435886013 201295476 /nfs/dbraw/zinc/29/54/76/201295476.db2.gz RFBHEPXHVWYNNL-HNNXBMFYSA-N 1 3 234.387 3.069 20 0 BGADHO CC[C@@H](c1ccccc1)N(CC)CCC[NH2+]C ZINC000435886013 201295473 /nfs/dbraw/zinc/29/54/73/201295473.db2.gz RFBHEPXHVWYNNL-HNNXBMFYSA-N 1 3 234.387 3.069 20 0 BGADHO CC[C@H](c1ccccc1)[N@@H+](CC)CCCNC ZINC000435886014 201296505 /nfs/dbraw/zinc/29/65/05/201296505.db2.gz RFBHEPXHVWYNNL-OAHLLOKOSA-N 1 3 234.387 3.069 20 0 BGADHO CC[C@H](c1ccccc1)[N@H+](CC)CCCNC ZINC000435886014 201296503 /nfs/dbraw/zinc/29/65/03/201296503.db2.gz RFBHEPXHVWYNNL-OAHLLOKOSA-N 1 3 234.387 3.069 20 0 BGADHO CC[C@H](c1ccccc1)N(CC)CCC[NH2+]C ZINC000435886014 201296501 /nfs/dbraw/zinc/29/65/01/201296501.db2.gz RFBHEPXHVWYNNL-OAHLLOKOSA-N 1 3 234.387 3.069 20 0 BGADHO CNCCC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000435886069 191329121 /nfs/dbraw/zinc/32/91/21/191329121.db2.gz RUKFLYDBHGFBDE-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CNCCC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000435886069 191329120 /nfs/dbraw/zinc/32/91/20/191329120.db2.gz RUKFLYDBHGFBDE-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CNCCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000435886070 191329496 /nfs/dbraw/zinc/32/94/96/191329496.db2.gz RUKFLYDBHGFBDE-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CNCCC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000435886070 191329493 /nfs/dbraw/zinc/32/94/93/191329493.db2.gz RUKFLYDBHGFBDE-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO NCCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000437768093 201373085 /nfs/dbraw/zinc/37/30/85/201373085.db2.gz ASQWIJKPXBLOOY-CVEARBPZSA-N 1 3 246.398 3.041 20 0 BGADHO NCCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000437768096 201371208 /nfs/dbraw/zinc/37/12/08/201371208.db2.gz ASQWIJKPXBLOOY-HOTGVXAUSA-N 1 3 246.398 3.041 20 0 BGADHO NCCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000437768099 201372544 /nfs/dbraw/zinc/37/25/44/201372544.db2.gz ASQWIJKPXBLOOY-HZPDHXFCSA-N 1 3 246.398 3.041 20 0 BGADHO NCCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000437768102 201372398 /nfs/dbraw/zinc/37/23/98/201372398.db2.gz ASQWIJKPXBLOOY-JKSUJKDBSA-N 1 3 246.398 3.041 20 0 BGADHO C[C@@H](CC[NH2+]CCC(C)(C)C)N1CCCCC1 ZINC000437993765 201382894 /nfs/dbraw/zinc/38/28/94/201382894.db2.gz OBMCQSOIBZZCFR-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO C[C@H](CC[NH2+]CCC(C)(C)C)N1CCCCC1 ZINC000437993767 201382901 /nfs/dbraw/zinc/38/29/01/201382901.db2.gz OBMCQSOIBZZCFR-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CCC(C)(C)CCN1CCC([NH2+]C(C)C)CC1 ZINC000440063744 388030955 /nfs/dbraw/zinc/03/09/55/388030955.db2.gz QVPKJEWLRBSHGB-UHFFFAOYSA-N 1 3 240.435 3.275 20 0 BGADHO CCC(C)(C)CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759771 387833849 /nfs/dbraw/zinc/83/38/49/387833849.db2.gz FEGLCFJFKHONTO-PBWFPOADSA-N 1 3 238.419 3.028 20 0 BGADHO CC(C)C1(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000448552605 201243710 /nfs/dbraw/zinc/24/37/10/201243710.db2.gz OPIGZPPRJXGQIB-KBPBESRZSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)C1(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000448552606 201243817 /nfs/dbraw/zinc/24/38/17/201243817.db2.gz OPIGZPPRJXGQIB-KGLIPLIRSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)C1(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000448552607 201242793 /nfs/dbraw/zinc/24/27/93/201242793.db2.gz OPIGZPPRJXGQIB-UONOGXRCSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)C1(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000448552608 201243345 /nfs/dbraw/zinc/24/33/45/201243345.db2.gz OPIGZPPRJXGQIB-ZIAGYGMSSA-N 1 3 238.419 3.075 20 0 BGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449088756 388140202 /nfs/dbraw/zinc/14/02/02/388140202.db2.gz CBXHBNDOISHYMU-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449088757 388140364 /nfs/dbraw/zinc/14/03/64/388140364.db2.gz CBXHBNDOISHYMU-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000449088758 388138162 /nfs/dbraw/zinc/13/81/62/388138162.db2.gz CBXHBNDOISHYMU-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(C)(C)C)C1 ZINC000449088759 388138037 /nfs/dbraw/zinc/13/80/37/388138037.db2.gz CBXHBNDOISHYMU-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CCC1 ZINC000449168491 388151671 /nfs/dbraw/zinc/15/16/71/388151671.db2.gz DOXVXEYMCNUNBB-ILXRZTDVSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CCC1 ZINC000449168492 388151607 /nfs/dbraw/zinc/15/16/07/388151607.db2.gz DOXVXEYMCNUNBB-KFWWJZLASA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CCC1 ZINC000449168494 201826152 /nfs/dbraw/zinc/82/61/52/201826152.db2.gz DOXVXEYMCNUNBB-KKUMJFAQSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CCC1 ZINC000449168496 201827263 /nfs/dbraw/zinc/82/72/63/201827263.db2.gz DOXVXEYMCNUNBB-ZNMIVQPWSA-N 1 3 238.419 3.028 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000449171982 388152771 /nfs/dbraw/zinc/15/27/71/388152771.db2.gz LNONMCXXUQTNMR-HZSPNIEDSA-N 1 3 240.435 3.274 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000449171983 388152579 /nfs/dbraw/zinc/15/25/79/388152579.db2.gz LNONMCXXUQTNMR-MCIONIFRSA-N 1 3 240.435 3.274 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000449171984 388152723 /nfs/dbraw/zinc/15/27/23/388152723.db2.gz LNONMCXXUQTNMR-MGPQQGTHSA-N 1 3 240.435 3.274 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000449171985 388151711 /nfs/dbraw/zinc/15/17/11/388151711.db2.gz LNONMCXXUQTNMR-RDBSUJKOSA-N 1 3 240.435 3.274 20 0 BGADHO CC(C)[N@H+]1CCCC[C@@H]1CN1[C@H](C)CC[C@@H]1C ZINC000450480768 202179219 /nfs/dbraw/zinc/17/92/19/202179219.db2.gz CFLZIXSRRPYZTH-QLFBSQMISA-N 1 3 238.419 3.122 20 0 BGADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1[C@H](C)CC[C@@H]1C ZINC000450480768 202179218 /nfs/dbraw/zinc/17/92/18/202179218.db2.gz CFLZIXSRRPYZTH-QLFBSQMISA-N 1 3 238.419 3.122 20 0 BGADHO CC(C)[N@H+]1CCCC[C@@H]1CN1[C@H](C)CC[C@H]1C ZINC000450480770 202179058 /nfs/dbraw/zinc/17/90/58/202179058.db2.gz CFLZIXSRRPYZTH-RBSFLKMASA-N 1 3 238.419 3.122 20 0 BGADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1[C@H](C)CC[C@H]1C ZINC000450480770 202179056 /nfs/dbraw/zinc/17/90/56/202179056.db2.gz CFLZIXSRRPYZTH-RBSFLKMASA-N 1 3 238.419 3.122 20 0 BGADHO CC(C)[N@H+]1CCCC[C@@H]1CN1[C@@H](C)CC[C@@H]1C ZINC000450480771 387785355 /nfs/dbraw/zinc/78/53/55/387785355.db2.gz CFLZIXSRRPYZTH-SOUVJXGZSA-N 1 3 238.419 3.122 20 0 BGADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1[C@@H](C)CC[C@@H]1C ZINC000450480771 387785352 /nfs/dbraw/zinc/78/53/52/387785352.db2.gz CFLZIXSRRPYZTH-SOUVJXGZSA-N 1 3 238.419 3.122 20 0 BGADHO CC(C)[N@H+]1CCCC[C@H]1CN1[C@H](C)CC[C@@H]1C ZINC000450480773 387784834 /nfs/dbraw/zinc/78/48/34/387784834.db2.gz CFLZIXSRRPYZTH-ZNMIVQPWSA-N 1 3 238.419 3.122 20 0 BGADHO CC(C)[N@@H+]1CCCC[C@H]1CN1[C@H](C)CC[C@@H]1C ZINC000450480773 387784831 /nfs/dbraw/zinc/78/48/31/387784831.db2.gz CFLZIXSRRPYZTH-ZNMIVQPWSA-N 1 3 238.419 3.122 20 0 BGADHO CCN(CC)CCC[NH2+]C1(CC)CCCC1 ZINC000451272405 202391189 /nfs/dbraw/zinc/39/11/89/202391189.db2.gz GBBLQWKJNKUMGC-UHFFFAOYSA-N 1 3 226.408 3.031 20 0 BGADHO CCC[C@H]([NH2+]CC[C@@H]1CCCN1C)C(C)(C)C ZINC000451416224 388271356 /nfs/dbraw/zinc/27/13/56/388271356.db2.gz APLBNLPFIQZCET-KBPBESRZSA-N 1 3 240.435 3.275 20 0 BGADHO CCC[C@H]([NH2+]CC[C@H]1CCCN1C)C(C)(C)C ZINC000451416235 388270744 /nfs/dbraw/zinc/27/07/44/388270744.db2.gz APLBNLPFIQZCET-KGLIPLIRSA-N 1 3 240.435 3.275 20 0 BGADHO CCC[C@@H]([NH2+]CC[C@@H]1CCCN1C)C(C)(C)C ZINC000451416236 388271205 /nfs/dbraw/zinc/27/12/05/388271205.db2.gz APLBNLPFIQZCET-UONOGXRCSA-N 1 3 240.435 3.275 20 0 BGADHO CCC[C@@H]([NH2+]CC[C@H]1CCCN1C)C(C)(C)C ZINC000451416237 388271489 /nfs/dbraw/zinc/27/14/89/388271489.db2.gz APLBNLPFIQZCET-ZIAGYGMSSA-N 1 3 240.435 3.275 20 0 BGADHO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)c1 ZINC000452077191 386263216 /nfs/dbraw/zinc/26/32/16/386263216.db2.gz DEOFKXWRSGWNSY-GDBMZVCRSA-N 1 3 246.398 3.130 20 0 BGADHO Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)c1 ZINC000452077193 386262941 /nfs/dbraw/zinc/26/29/41/386262941.db2.gz DEOFKXWRSGWNSY-GOEBONIOSA-N 1 3 246.398 3.130 20 0 BGADHO Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)c1 ZINC000452077195 386262692 /nfs/dbraw/zinc/26/26/92/386262692.db2.gz DEOFKXWRSGWNSY-HOCLYGCPSA-N 1 3 246.398 3.130 20 0 BGADHO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)c1 ZINC000452077199 386262898 /nfs/dbraw/zinc/26/28/98/386262898.db2.gz DEOFKXWRSGWNSY-ZBFHGGJFSA-N 1 3 246.398 3.130 20 0 BGADHO CCC[C@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)C ZINC000453174697 388003651 /nfs/dbraw/zinc/00/36/51/388003651.db2.gz JWALOOVJDAMFRS-AWEZNQCLSA-N 1 3 238.419 3.053 20 0 BGADHO CCC[C@@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)C ZINC000453174698 388003388 /nfs/dbraw/zinc/00/33/88/388003388.db2.gz JWALOOVJDAMFRS-CQSZACIVSA-N 1 3 238.419 3.053 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459389613 203272286 /nfs/dbraw/zinc/27/22/86/203272286.db2.gz NJIPNYPOIRNFSE-UHFFFAOYSA-N 1 3 240.435 3.131 20 0 BGADHO CCN(CC)CCC[NH2+]C1(C2CCC2)CCC1 ZINC000459755603 203359251 /nfs/dbraw/zinc/35/92/51/203359251.db2.gz MTCGICNMUBTFAG-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CCC[C@H]([NH2+]CC[C@H]1CCCN1C)C1CCC1 ZINC000459789281 203369301 /nfs/dbraw/zinc/36/93/01/203369301.db2.gz GASGNCGEZPNBAN-CABCVRRESA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CCC1 ZINC000459789283 203370692 /nfs/dbraw/zinc/37/06/92/203370692.db2.gz GASGNCGEZPNBAN-GJZGRUSLSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CCC1 ZINC000459789284 203369079 /nfs/dbraw/zinc/36/90/79/203369079.db2.gz GASGNCGEZPNBAN-HUUCEWRRSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CCC1 ZINC000459789286 203371354 /nfs/dbraw/zinc/37/13/54/203371354.db2.gz GASGNCGEZPNBAN-LSDHHAIUSA-N 1 3 238.419 3.029 20 0 BGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000464789805 388103965 /nfs/dbraw/zinc/10/39/65/388103965.db2.gz OWIFAMYOPXWLRQ-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)CC)C1 ZINC000464789805 388103962 /nfs/dbraw/zinc/10/39/62/388103962.db2.gz OWIFAMYOPXWLRQ-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000464789807 388103454 /nfs/dbraw/zinc/10/34/54/388103454.db2.gz OWIFAMYOPXWLRQ-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(C)C[C@H]1CC[N@H+](CCC(C)(C)CC)C1 ZINC000464789807 388103450 /nfs/dbraw/zinc/10/34/50/388103450.db2.gz OWIFAMYOPXWLRQ-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CC(C)([NH3+])CN1CCCCC[C@H]1c1ccccc1 ZINC000469871713 527239852 /nfs/dbraw/zinc/23/98/52/527239852.db2.gz SOAIEKUMBWEJTF-HNNXBMFYSA-N 1 3 246.398 3.341 20 0 BGADHO CC(C)([NH3+])CN1CCCCC[C@@H]1c1ccccc1 ZINC000469871714 527240677 /nfs/dbraw/zinc/24/06/77/527240677.db2.gz SOAIEKUMBWEJTF-OAHLLOKOSA-N 1 3 246.398 3.341 20 0 BGADHO CC(C)C[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000470359240 528474182 /nfs/dbraw/zinc/47/41/82/528474182.db2.gz MDQMHYYKBLEYLB-AWEZNQCLSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)C[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000470359241 528266275 /nfs/dbraw/zinc/26/62/75/528266275.db2.gz MDQMHYYKBLEYLB-CQSZACIVSA-N 1 3 240.435 3.133 20 0 BGADHO CCCCN(C)[C@@H](C)CC[N@@H+](C)CCCC ZINC000470958880 541473128 /nfs/dbraw/zinc/47/31/28/541473128.db2.gz FXHIQGBDTAPLKJ-AWEZNQCLSA-N 1 3 228.424 3.229 20 0 BGADHO CCCCN(C)[C@@H](C)CC[N@H+](C)CCCC ZINC000470958880 541473125 /nfs/dbraw/zinc/47/31/25/541473125.db2.gz FXHIQGBDTAPLKJ-AWEZNQCLSA-N 1 3 228.424 3.229 20 0 BGADHO CCCCN(C)CC[C@H](C)[N@@H+](C)CCCC ZINC000470958880 541473119 /nfs/dbraw/zinc/47/31/19/541473119.db2.gz FXHIQGBDTAPLKJ-AWEZNQCLSA-N 1 3 228.424 3.229 20 0 BGADHO CCCCN(C)CC[C@H](C)[N@H+](C)CCCC ZINC000470958880 541473115 /nfs/dbraw/zinc/47/31/15/541473115.db2.gz FXHIQGBDTAPLKJ-AWEZNQCLSA-N 1 3 228.424 3.229 20 0 BGADHO CCCCN(C)[C@H](C)CC[N@@H+](C)CCCC ZINC000470958888 541473176 /nfs/dbraw/zinc/47/31/76/541473176.db2.gz FXHIQGBDTAPLKJ-CQSZACIVSA-N 1 3 228.424 3.229 20 0 BGADHO CCCCN(C)[C@H](C)CC[N@H+](C)CCCC ZINC000470958888 541473173 /nfs/dbraw/zinc/47/31/73/541473173.db2.gz FXHIQGBDTAPLKJ-CQSZACIVSA-N 1 3 228.424 3.229 20 0 BGADHO CCCCN(C)CC[C@@H](C)[N@@H+](C)CCCC ZINC000470958888 541473169 /nfs/dbraw/zinc/47/31/69/541473169.db2.gz FXHIQGBDTAPLKJ-CQSZACIVSA-N 1 3 228.424 3.229 20 0 BGADHO CCCCN(C)CC[C@@H](C)[N@H+](C)CCCC ZINC000470958888 541473165 /nfs/dbraw/zinc/47/31/65/541473165.db2.gz FXHIQGBDTAPLKJ-CQSZACIVSA-N 1 3 228.424 3.229 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H](C)C1CCC1 ZINC000474476376 528058801 /nfs/dbraw/zinc/05/88/01/528058801.db2.gz KFKXJUJFQURBKX-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@H](C)C1CCC1 ZINC000474476377 528060035 /nfs/dbraw/zinc/06/00/35/528060035.db2.gz KFKXJUJFQURBKX-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H]([NH2+]CC(C)(C)CN1CCCC1)C(C)C ZINC000477908888 529589562 /nfs/dbraw/zinc/58/95/62/529589562.db2.gz CKADDPMWVFSBIL-AWEZNQCLSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C(C)C ZINC000477908913 529155312 /nfs/dbraw/zinc/15/53/12/529155312.db2.gz CKADDPMWVFSBIL-CQSZACIVSA-N 1 3 240.435 3.133 20 0 BGADHO CCCC[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477913407 528893482 /nfs/dbraw/zinc/89/34/82/528893482.db2.gz DMLJCRFNZAATNI-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477913410 528763051 /nfs/dbraw/zinc/76/30/51/528763051.db2.gz DMLJCRFNZAATNI-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)(C[NH2+]C1CCCCC1)CN1CCCC1 ZINC000477913988 527169784 /nfs/dbraw/zinc/16/97/84/527169784.db2.gz LNKYPIQZKHLZPW-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CCC[C@H](CC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919562 528105077 /nfs/dbraw/zinc/10/50/77/528105077.db2.gz SGRGYOJGWYYTKD-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[C@@H](CC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919564 528923526 /nfs/dbraw/zinc/92/35/26/528923526.db2.gz SGRGYOJGWYYTKD-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C(C)(C)C ZINC000477920147 533352469 /nfs/dbraw/zinc/35/24/69/533352469.db2.gz SYRGMGNVKGPKNG-CYBMUJFWSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C(C)(C)C ZINC000477920149 225163775 /nfs/dbraw/zinc/16/37/75/225163775.db2.gz SYRGMGNVKGPKNG-ZDUSSCGKSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477924185 529241945 /nfs/dbraw/zinc/24/19/45/529241945.db2.gz DSLPJEWKIYBRSC-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477924186 529413607 /nfs/dbraw/zinc/41/36/07/529413607.db2.gz DSLPJEWKIYBRSC-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477924187 529206363 /nfs/dbraw/zinc/20/63/63/529206363.db2.gz DSLPJEWKIYBRSC-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477924188 529393764 /nfs/dbraw/zinc/39/37/64/529393764.db2.gz DSLPJEWKIYBRSC-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)=CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000479293704 527406674 /nfs/dbraw/zinc/40/66/74/527406674.db2.gz DPQKOMGRANGCMF-UHFFFAOYSA-N 1 3 238.419 3.195 20 0 BGADHO CC(C)C[NH2+]C(C)(C)CCN1CCCCCC1 ZINC000479598318 528064208 /nfs/dbraw/zinc/06/42/08/528064208.db2.gz KLNBZZILGLCLMU-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[C@H](C)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000480938542 528033990 /nfs/dbraw/zinc/03/39/90/528033990.db2.gz QZFGANSUKUFBGZ-AWEZNQCLSA-N 1 3 240.435 3.134 20 0 BGADHO CCC[C@@H](C)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000480938548 528877908 /nfs/dbraw/zinc/87/79/08/528877908.db2.gz QZFGANSUKUFBGZ-CQSZACIVSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000482135874 528555590 /nfs/dbraw/zinc/55/55/90/528555590.db2.gz OJYCQCIZJKVLIZ-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000482135875 528555483 /nfs/dbraw/zinc/55/54/83/528555483.db2.gz OJYCQCIZJKVLIZ-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000482135876 528555516 /nfs/dbraw/zinc/55/55/16/528555516.db2.gz OJYCQCIZJKVLIZ-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000482135877 528555420 /nfs/dbraw/zinc/55/54/20/528555420.db2.gz OJYCQCIZJKVLIZ-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000484310109 529183694 /nfs/dbraw/zinc/18/36/94/529183694.db2.gz PFURHILNDXJJSV-KKUMJFAQSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000484310110 529182516 /nfs/dbraw/zinc/18/25/16/529182516.db2.gz PFURHILNDXJJSV-RRFJBIMHSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000484310111 529182639 /nfs/dbraw/zinc/18/26/39/529182639.db2.gz PFURHILNDXJJSV-SOUVJXGZSA-N 1 3 240.435 3.275 20 0 BGADHO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000484310112 529183668 /nfs/dbraw/zinc/18/36/68/529183668.db2.gz PFURHILNDXJJSV-ZNMIVQPWSA-N 1 3 240.435 3.275 20 0 BGADHO CC(C)[C@@H](C)N(C)CCC[N@@H+](C)[C@@H](C)C(C)C ZINC000485175483 528406945 /nfs/dbraw/zinc/40/69/45/528406945.db2.gz UKSMSTUMYYAKLL-GASCZTMLSA-N 1 3 242.451 3.329 20 0 BGADHO CC(C)[C@@H](C)N(C)CCC[N@H+](C)[C@@H](C)C(C)C ZINC000485175483 528406940 /nfs/dbraw/zinc/40/69/40/528406940.db2.gz UKSMSTUMYYAKLL-GASCZTMLSA-N 1 3 242.451 3.329 20 0 BGADHO CC(C)[C@@H](C)[N@H+](C)CCCN(C)[C@@H](C)C(C)C ZINC000485175483 528406938 /nfs/dbraw/zinc/40/69/38/528406938.db2.gz UKSMSTUMYYAKLL-GASCZTMLSA-N 1 3 242.451 3.329 20 0 BGADHO CC(C)[C@@H](C)[N@@H+](C)CCCN(C)[C@@H](C)C(C)C ZINC000485175483 528406932 /nfs/dbraw/zinc/40/69/32/528406932.db2.gz UKSMSTUMYYAKLL-GASCZTMLSA-N 1 3 242.451 3.329 20 0 BGADHO CC(C)[C@H](C)N(C)CCC[N@@H+](C)[C@@H](C)C(C)C ZINC000485175486 528957843 /nfs/dbraw/zinc/95/78/43/528957843.db2.gz UKSMSTUMYYAKLL-GJZGRUSLSA-N 1 3 242.451 3.329 20 0 BGADHO CC(C)[C@H](C)N(C)CCC[N@H+](C)[C@@H](C)C(C)C ZINC000485175486 528957839 /nfs/dbraw/zinc/95/78/39/528957839.db2.gz UKSMSTUMYYAKLL-GJZGRUSLSA-N 1 3 242.451 3.329 20 0 BGADHO CC(C)[C@@H](C)N(C)CCC[N@@H+](C)[C@H](C)C(C)C ZINC000485175487 528407341 /nfs/dbraw/zinc/40/73/41/528407341.db2.gz UKSMSTUMYYAKLL-HUUCEWRRSA-N 1 3 242.451 3.329 20 0 BGADHO CC(C)[C@@H](C)N(C)CCC[N@H+](C)[C@H](C)C(C)C ZINC000485175487 528407338 /nfs/dbraw/zinc/40/73/38/528407338.db2.gz UKSMSTUMYYAKLL-HUUCEWRRSA-N 1 3 242.451 3.329 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495071967 528058525 /nfs/dbraw/zinc/05/85/25/528058525.db2.gz QWBZLAGUZKTWQM-QLFBSQMISA-N 1 3 240.435 3.133 20 0 BGADHO CCC[NH+](CCC)CCCN[C@@H]1C[C@@H](C)[C@@H]1C ZINC000495071967 528058522 /nfs/dbraw/zinc/05/85/22/528058522.db2.gz QWBZLAGUZKTWQM-QLFBSQMISA-N 1 3 240.435 3.133 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495071968 528060221 /nfs/dbraw/zinc/06/02/21/528060221.db2.gz QWBZLAGUZKTWQM-RBSFLKMASA-N 1 3 240.435 3.133 20 0 BGADHO CCC[NH+](CCC)CCCN[C@@H]1C[C@@H](C)[C@H]1C ZINC000495071968 528060220 /nfs/dbraw/zinc/06/02/20/528060220.db2.gz QWBZLAGUZKTWQM-RBSFLKMASA-N 1 3 240.435 3.133 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495071969 528059763 /nfs/dbraw/zinc/05/97/63/528059763.db2.gz QWBZLAGUZKTWQM-RRFJBIMHSA-N 1 3 240.435 3.133 20 0 BGADHO CCC[NH+](CCC)CCCN[C@@H]1C[C@H](C)[C@H]1C ZINC000495071969 528059760 /nfs/dbraw/zinc/05/97/60/528059760.db2.gz QWBZLAGUZKTWQM-RRFJBIMHSA-N 1 3 240.435 3.133 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495071970 528060327 /nfs/dbraw/zinc/06/03/27/528060327.db2.gz QWBZLAGUZKTWQM-SOUVJXGZSA-N 1 3 240.435 3.133 20 0 BGADHO CCC[NH+](CCC)CCCN[C@@H]1C[C@H](C)[C@@H]1C ZINC000495071970 528060323 /nfs/dbraw/zinc/06/03/23/528060323.db2.gz QWBZLAGUZKTWQM-SOUVJXGZSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)N(CCC[NH2+][C@H]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000495074619 528885078 /nfs/dbraw/zinc/88/50/78/528885078.db2.gz NCOCMGIMZKBYFJ-ILXRZTDVSA-N 1 3 240.435 3.129 20 0 BGADHO CC(C)[NH+](CCCN[C@H]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000495074619 528885071 /nfs/dbraw/zinc/88/50/71/528885071.db2.gz NCOCMGIMZKBYFJ-ILXRZTDVSA-N 1 3 240.435 3.129 20 0 BGADHO CC(C)N(CCC[NH2+][C@H]1C[C@@H](C)[C@H]1C)C(C)C ZINC000495074620 528886380 /nfs/dbraw/zinc/88/63/80/528886380.db2.gz NCOCMGIMZKBYFJ-KFWWJZLASA-N 1 3 240.435 3.129 20 0 BGADHO CC(C)[NH+](CCCN[C@H]1C[C@@H](C)[C@H]1C)C(C)C ZINC000495074620 528886376 /nfs/dbraw/zinc/88/63/76/528886376.db2.gz NCOCMGIMZKBYFJ-KFWWJZLASA-N 1 3 240.435 3.129 20 0 BGADHO CC(C)N(CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000495074621 528885365 /nfs/dbraw/zinc/88/53/65/528885365.db2.gz NCOCMGIMZKBYFJ-QLFBSQMISA-N 1 3 240.435 3.129 20 0 BGADHO CC(C)[NH+](CCCN[C@@H]1C[C@@H](C)[C@@H]1C)C(C)C ZINC000495074621 528885362 /nfs/dbraw/zinc/88/53/62/528885362.db2.gz NCOCMGIMZKBYFJ-QLFBSQMISA-N 1 3 240.435 3.129 20 0 BGADHO CC(C)N(CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(C)C ZINC000495074622 528885840 /nfs/dbraw/zinc/88/58/40/528885840.db2.gz NCOCMGIMZKBYFJ-RBSFLKMASA-N 1 3 240.435 3.129 20 0 BGADHO CC(C)[NH+](CCCN[C@@H]1C[C@@H](C)[C@H]1C)C(C)C ZINC000495074622 528885832 /nfs/dbraw/zinc/88/58/32/528885832.db2.gz NCOCMGIMZKBYFJ-RBSFLKMASA-N 1 3 240.435 3.129 20 0 BGADHO CC(C)C[C@H](C)CN1CCC([NH2+]C(C)C)CC1 ZINC000499533900 528460131 /nfs/dbraw/zinc/46/01/31/528460131.db2.gz ROGKHBPWZISIKN-AWEZNQCLSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)C[C@@H](C)CN1CCC([NH2+]C(C)C)CC1 ZINC000499533907 528249583 /nfs/dbraw/zinc/24/95/83/528249583.db2.gz ROGKHBPWZISIKN-CQSZACIVSA-N 1 3 240.435 3.131 20 0 BGADHO C/C(=C/c1ccccc1)CN[C@H](C)CC[NH+](C)C ZINC000501415217 527506954 /nfs/dbraw/zinc/50/69/54/527506954.db2.gz CBTHHLUUVBTFQW-IKESIWSLSA-N 1 3 246.398 3.020 20 0 BGADHO C/C(=C/c1ccccc1)CN[C@@H](C)CC[NH+](C)C ZINC000501415218 527506181 /nfs/dbraw/zinc/50/61/81/527506181.db2.gz CBTHHLUUVBTFQW-ZSMUJPCHSA-N 1 3 246.398 3.020 20 0 BGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(C)C ZINC000503053345 528180955 /nfs/dbraw/zinc/18/09/55/528180955.db2.gz QAYOFNQVCBSBGG-CABCVRRESA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)C ZINC000503053348 528171494 /nfs/dbraw/zinc/17/14/94/528171494.db2.gz QAYOFNQVCBSBGG-GJZGRUSLSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC000503053349 528182306 /nfs/dbraw/zinc/18/23/06/528182306.db2.gz QAYOFNQVCBSBGG-HUUCEWRRSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC000503053351 528172885 /nfs/dbraw/zinc/17/28/85/528172885.db2.gz QAYOFNQVCBSBGG-LSDHHAIUSA-N 1 3 240.435 3.133 20 0 BGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC(C)C ZINC000507134331 528779682 /nfs/dbraw/zinc/77/96/82/528779682.db2.gz LMODKSFVXMTYLX-UHFFFAOYSA-N 1 3 248.414 3.226 20 0 BGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC(C)C ZINC000507134331 528779675 /nfs/dbraw/zinc/77/96/75/528779675.db2.gz LMODKSFVXMTYLX-UHFFFAOYSA-N 1 3 248.414 3.226 20 0 BGADHO CCCCN(C)CC(C)C[N@@H+](C)CCCC ZINC000510244718 528335356 /nfs/dbraw/zinc/33/53/56/528335356.db2.gz QOKPJROTOLPQBR-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CCCCN(C)CC(C)C[N@H+](C)CCCC ZINC000510244718 528335351 /nfs/dbraw/zinc/33/53/51/528335351.db2.gz QOKPJROTOLPQBR-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+](C)C1CCCCCC1 ZINC000513969212 388479015 /nfs/dbraw/zinc/47/90/15/388479015.db2.gz RNNUQUKQKOXIIB-UHFFFAOYSA-N 1 3 240.435 3.373 20 0 BGADHO CCN(CC)CCC[N@H+](C)C1CCCCCC1 ZINC000513969212 388479013 /nfs/dbraw/zinc/47/90/13/388479013.db2.gz RNNUQUKQKOXIIB-UHFFFAOYSA-N 1 3 240.435 3.373 20 0 BGADHO CCN(CC)CCC[N@@H+](CC)C1CCCCC1 ZINC000513971938 388479514 /nfs/dbraw/zinc/47/95/14/388479514.db2.gz SZQWJEXSRGTMHS-UHFFFAOYSA-N 1 3 240.435 3.373 20 0 BGADHO CCN(CC)CCC[N@H+](CC)C1CCCCC1 ZINC000513971938 388479510 /nfs/dbraw/zinc/47/95/10/388479510.db2.gz SZQWJEXSRGTMHS-UHFFFAOYSA-N 1 3 240.435 3.373 20 0 BGADHO CCC[C@H]1CCC[N@@H+](CCCN(CC)CC)C1 ZINC000514115119 323314788 /nfs/dbraw/zinc/31/47/88/323314788.db2.gz ORUQMQPDDASURL-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO CCC[C@H]1CCC[N@H+](CCCN(CC)CC)C1 ZINC000514115119 323314784 /nfs/dbraw/zinc/31/47/84/323314784.db2.gz ORUQMQPDDASURL-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO CCC[C@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000514115119 323314782 /nfs/dbraw/zinc/31/47/82/323314782.db2.gz ORUQMQPDDASURL-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO CCC[C@@H]1CCC[N@@H+](CCCN(CC)CC)C1 ZINC000514115120 323314555 /nfs/dbraw/zinc/31/45/55/323314555.db2.gz ORUQMQPDDASURL-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CCC[C@@H]1CCC[N@H+](CCCN(CC)CC)C1 ZINC000514115120 323314553 /nfs/dbraw/zinc/31/45/53/323314553.db2.gz ORUQMQPDDASURL-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CCC[C@@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000514115120 323314550 /nfs/dbraw/zinc/31/45/50/323314550.db2.gz ORUQMQPDDASURL-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CC[NH+](CC)CCCN1CC[C@H](C(C)(C)C)C1 ZINC000514235998 387274843 /nfs/dbraw/zinc/27/48/43/387274843.db2.gz MAXYXDRPCLPGJD-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000514235998 387274840 /nfs/dbraw/zinc/27/48/40/387274840.db2.gz MAXYXDRPCLPGJD-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000514235998 387274839 /nfs/dbraw/zinc/27/48/39/387274839.db2.gz MAXYXDRPCLPGJD-AWEZNQCLSA-N 1 3 240.435 3.086 20 0 BGADHO CC[NH+](CC)CCCN1CC[C@@H](C(C)(C)C)C1 ZINC000514235999 387274894 /nfs/dbraw/zinc/27/48/94/387274894.db2.gz MAXYXDRPCLPGJD-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000514235999 387274890 /nfs/dbraw/zinc/27/48/90/387274890.db2.gz MAXYXDRPCLPGJD-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000514235999 387274885 /nfs/dbraw/zinc/27/48/85/387274885.db2.gz MAXYXDRPCLPGJD-CQSZACIVSA-N 1 3 240.435 3.086 20 0 BGADHO CC[C@@H](CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000514758704 387286285 /nfs/dbraw/zinc/28/62/85/387286285.db2.gz QIGXOFFQLISTDW-HNNXBMFYSA-N 1 3 248.414 3.064 20 0 BGADHO CC[C@H](CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000514758705 387285918 /nfs/dbraw/zinc/28/59/18/387285918.db2.gz QIGXOFFQLISTDW-OAHLLOKOSA-N 1 3 248.414 3.064 20 0 BGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000515053305 387326433 /nfs/dbraw/zinc/32/64/33/387326433.db2.gz KZOINDUJTPZQGQ-CABCVRRESA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000515053306 387327974 /nfs/dbraw/zinc/32/79/74/387327974.db2.gz KZOINDUJTPZQGQ-GJZGRUSLSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000515053307 387326170 /nfs/dbraw/zinc/32/61/70/387326170.db2.gz KZOINDUJTPZQGQ-HUUCEWRRSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000515053308 387326270 /nfs/dbraw/zinc/32/62/70/387326270.db2.gz KZOINDUJTPZQGQ-LSDHHAIUSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000516173625 387476962 /nfs/dbraw/zinc/47/69/62/387476962.db2.gz RAWAOZGAANRMTM-KFWWJZLASA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000516173626 387477776 /nfs/dbraw/zinc/47/77/76/387477776.db2.gz RAWAOZGAANRMTM-RBSFLKMASA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000516173627 387478114 /nfs/dbraw/zinc/47/81/14/387478114.db2.gz RAWAOZGAANRMTM-RRFJBIMHSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000516173628 256768149 /nfs/dbraw/zinc/76/81/49/256768149.db2.gz RAWAOZGAANRMTM-ZNMIVQPWSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCC(C)(C)C1 ZINC000517168111 342794275 /nfs/dbraw/zinc/79/42/75/342794275.db2.gz MYMSGGPCMUJPJZ-HZSPNIEDSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1CCCC(C)(C)C1 ZINC000517168111 342794274 /nfs/dbraw/zinc/79/42/74/342794274.db2.gz MYMSGGPCMUJPJZ-HZSPNIEDSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1CCCC(C)(C)C1 ZINC000517168111 342794273 /nfs/dbraw/zinc/79/42/73/342794273.db2.gz MYMSGGPCMUJPJZ-HZSPNIEDSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCCC(C)(C)C1 ZINC000517168112 342794392 /nfs/dbraw/zinc/79/43/92/342794392.db2.gz MYMSGGPCMUJPJZ-MCIONIFRSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CCCC(C)(C)C1 ZINC000517168112 342794391 /nfs/dbraw/zinc/79/43/91/342794391.db2.gz MYMSGGPCMUJPJZ-MCIONIFRSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CCCC(C)(C)C1 ZINC000517168112 342794389 /nfs/dbraw/zinc/79/43/89/342794389.db2.gz MYMSGGPCMUJPJZ-MCIONIFRSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCC(C)(C)C1 ZINC000517168113 342794338 /nfs/dbraw/zinc/79/43/38/342794338.db2.gz MYMSGGPCMUJPJZ-MGPQQGTHSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CCCC(C)(C)C1 ZINC000517168113 342794336 /nfs/dbraw/zinc/79/43/36/342794336.db2.gz MYMSGGPCMUJPJZ-MGPQQGTHSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CCCC(C)(C)C1 ZINC000517168113 342794334 /nfs/dbraw/zinc/79/43/34/342794334.db2.gz MYMSGGPCMUJPJZ-MGPQQGTHSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCCC(C)(C)C1 ZINC000517168114 342794233 /nfs/dbraw/zinc/79/42/33/342794233.db2.gz MYMSGGPCMUJPJZ-RDBSUJKOSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@H]1CCCC(C)(C)C1 ZINC000517168114 342794232 /nfs/dbraw/zinc/79/42/32/342794232.db2.gz MYMSGGPCMUJPJZ-RDBSUJKOSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@H]1CCCC(C)(C)C1 ZINC000517168114 342794231 /nfs/dbraw/zinc/79/42/31/342794231.db2.gz MYMSGGPCMUJPJZ-RDBSUJKOSA-N 1 3 238.419 3.014 20 0 BGADHO CC(C)c1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000517175295 388540373 /nfs/dbraw/zinc/54/03/73/388540373.db2.gz DMLRDLKIDFDMBL-CVEARBPZSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)c1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000517175296 388540734 /nfs/dbraw/zinc/54/07/34/388540734.db2.gz DMLRDLKIDFDMBL-HOTGVXAUSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)c1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000517175297 388540368 /nfs/dbraw/zinc/54/03/68/388540368.db2.gz DMLRDLKIDFDMBL-HZPDHXFCSA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)c1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000517175298 388541114 /nfs/dbraw/zinc/54/11/14/388541114.db2.gz DMLRDLKIDFDMBL-JKSUJKDBSA-N 1 3 246.398 3.170 20 0 BGADHO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000517229876 388543676 /nfs/dbraw/zinc/54/36/76/388543676.db2.gz DAINWMNNEHRPIY-APIJFGDWSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000517229876 388543673 /nfs/dbraw/zinc/54/36/73/388543673.db2.gz DAINWMNNEHRPIY-APIJFGDWSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000517229877 388543460 /nfs/dbraw/zinc/54/34/60/388543460.db2.gz DAINWMNNEHRPIY-KBXIAJHMSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000517229877 388543458 /nfs/dbraw/zinc/54/34/58/388543458.db2.gz DAINWMNNEHRPIY-KBXIAJHMSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000517229878 388543748 /nfs/dbraw/zinc/54/37/48/388543748.db2.gz DAINWMNNEHRPIY-LJISPDSOSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000517229878 388543746 /nfs/dbraw/zinc/54/37/46/388543746.db2.gz DAINWMNNEHRPIY-LJISPDSOSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000517229879 388543239 /nfs/dbraw/zinc/54/32/39/388543239.db2.gz DAINWMNNEHRPIY-XGUBFFRZSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000517229879 388543235 /nfs/dbraw/zinc/54/32/35/388543235.db2.gz DAINWMNNEHRPIY-XGUBFFRZSA-N 1 3 238.419 3.075 20 0 BGADHO CC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCCCC1 ZINC000517892213 384553617 /nfs/dbraw/zinc/55/36/17/384553617.db2.gz LKYLJGNMWPWKIB-KBPBESRZSA-N 1 3 238.419 3.206 20 0 BGADHO CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCCCC1 ZINC000517892221 256554253 /nfs/dbraw/zinc/55/42/53/256554253.db2.gz LKYLJGNMWPWKIB-KGLIPLIRSA-N 1 3 238.419 3.206 20 0 BGADHO CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCCCC1 ZINC000517892222 384552985 /nfs/dbraw/zinc/55/29/85/384552985.db2.gz LKYLJGNMWPWKIB-UONOGXRCSA-N 1 3 238.419 3.206 20 0 BGADHO CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCCCC1 ZINC000517892223 384554033 /nfs/dbraw/zinc/55/40/33/384554033.db2.gz LKYLJGNMWPWKIB-ZIAGYGMSSA-N 1 3 238.419 3.206 20 0 BGADHO CCCC[C@H](CC)CCN(C)C1CC[NH2+]CC1 ZINC000518770381 259365877 /nfs/dbraw/zinc/36/58/77/259365877.db2.gz RIEJFQFOLRQNAC-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@@H](CC)CCN(C)C1CC[NH2+]CC1 ZINC000518770382 259365948 /nfs/dbraw/zinc/36/59/48/259365948.db2.gz RIEJFQFOLRQNAC-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CN(CC[C@@H]1CCCC[N@H+]1C)CCC(C)(C)C ZINC000524755738 388407838 /nfs/dbraw/zinc/40/78/38/388407838.db2.gz SQLROKPAZHZVRV-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)CCC(C)(C)C ZINC000524755738 388407836 /nfs/dbraw/zinc/40/78/36/388407836.db2.gz SQLROKPAZHZVRV-AWEZNQCLSA-N 1 3 240.435 3.229 20 0 BGADHO CN(CC[C@H]1CCCC[N@H+]1C)CCC(C)(C)C ZINC000524755739 388407915 /nfs/dbraw/zinc/40/79/15/388407915.db2.gz SQLROKPAZHZVRV-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CN(CC[C@H]1CCCC[N@@H+]1C)CCC(C)(C)C ZINC000524755739 388407912 /nfs/dbraw/zinc/40/79/12/388407912.db2.gz SQLROKPAZHZVRV-CQSZACIVSA-N 1 3 240.435 3.229 20 0 BGADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178862 388621568 /nfs/dbraw/zinc/62/15/68/388621568.db2.gz RYOSVLFLFOQULC-BFHYXJOUSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](C[C@@H](C)CC)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178862 388621565 /nfs/dbraw/zinc/62/15/65/388621565.db2.gz RYOSVLFLFOQULC-BFHYXJOUSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCNC12CCC2 ZINC000530178863 388621744 /nfs/dbraw/zinc/62/17/44/388621744.db2.gz RYOSVLFLFOQULC-IHRRRGAJSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](C)C[C@H](CC)N[C@H]1CC[NH2+]C12CCC2 ZINC000530178863 388621741 /nfs/dbraw/zinc/62/17/41/388621741.db2.gz RYOSVLFLFOQULC-IHRRRGAJSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178864 388621782 /nfs/dbraw/zinc/62/17/82/388621782.db2.gz RYOSVLFLFOQULC-MELADBBJSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](C)C[C@H](CC)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178864 388621779 /nfs/dbraw/zinc/62/17/79/388621779.db2.gz RYOSVLFLFOQULC-MELADBBJSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCNC12CCC2 ZINC000530178865 388622083 /nfs/dbraw/zinc/62/20/83/388622083.db2.gz RYOSVLFLFOQULC-MJBXVCDLSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](C[C@@H](C)CC)N[C@H]1CC[NH2+]C12CCC2 ZINC000530178865 388622080 /nfs/dbraw/zinc/62/20/80/388622080.db2.gz RYOSVLFLFOQULC-MJBXVCDLSA-N 1 3 238.419 3.075 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCNC12CCC2 ZINC000530179305 388621143 /nfs/dbraw/zinc/62/11/43/388621143.db2.gz SNXHBYWNSMIZSY-CYBMUJFWSA-N 1 3 238.419 3.077 20 0 BGADHO CCC(CC)(CC)C[NH2+][C@H]1CCNC12CCC2 ZINC000530179306 388621844 /nfs/dbraw/zinc/62/18/44/388621844.db2.gz SNXHBYWNSMIZSY-ZDUSSCGKSA-N 1 3 238.419 3.077 20 0 BGADHO CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000530207786 323209533 /nfs/dbraw/zinc/20/95/33/323209533.db2.gz GDILCJCDGCFKAK-HZSPNIEDSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000530207787 323209262 /nfs/dbraw/zinc/20/92/62/323209262.db2.gz GDILCJCDGCFKAK-MCIONIFRSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000530207788 323209273 /nfs/dbraw/zinc/20/92/73/323209273.db2.gz GDILCJCDGCFKAK-MGPQQGTHSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000530207789 323209341 /nfs/dbraw/zinc/20/93/41/323209341.db2.gz GDILCJCDGCFKAK-RDBSUJKOSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)Cc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000530214699 388628639 /nfs/dbraw/zinc/62/86/39/388628639.db2.gz ZHHBCYGCACRXHW-KBPBESRZSA-N 1 3 248.414 3.101 20 0 BGADHO CC(C)Cc1ccccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000530214700 388629531 /nfs/dbraw/zinc/62/95/31/388629531.db2.gz ZHHBCYGCACRXHW-KGLIPLIRSA-N 1 3 248.414 3.101 20 0 BGADHO CC(C)Cc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000530214701 388629565 /nfs/dbraw/zinc/62/95/65/388629565.db2.gz ZHHBCYGCACRXHW-UONOGXRCSA-N 1 3 248.414 3.101 20 0 BGADHO CC(C)Cc1ccccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000530214702 388628897 /nfs/dbraw/zinc/62/88/97/388628897.db2.gz ZHHBCYGCACRXHW-ZIAGYGMSSA-N 1 3 248.414 3.101 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530215937 388628914 /nfs/dbraw/zinc/62/89/14/388628914.db2.gz KOELGIROKARKEH-CHWSQXEVSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCNC12CCC2 ZINC000530215938 388628905 /nfs/dbraw/zinc/62/89/05/388628905.db2.gz KOELGIROKARKEH-OLZOCXBDSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530215939 388629065 /nfs/dbraw/zinc/62/90/65/388629065.db2.gz KOELGIROKARKEH-QWHCGFSZSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCNC12CCC2 ZINC000530215940 388629475 /nfs/dbraw/zinc/62/94/75/388629475.db2.gz KOELGIROKARKEH-STQMWFEESA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@@H](CC)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530216365 388630721 /nfs/dbraw/zinc/63/07/21/388630721.db2.gz BBVRTDYECIAQQC-BFHYXJOUSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCNC12CCC2 ZINC000530216365 388630719 /nfs/dbraw/zinc/63/07/19/388630719.db2.gz BBVRTDYECIAQQC-BFHYXJOUSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@H](CC)N[C@H]1CC[NH2+]C12CCC2 ZINC000530216366 388630277 /nfs/dbraw/zinc/63/02/77/388630277.db2.gz BBVRTDYECIAQQC-IHRRRGAJSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCNC12CCC2 ZINC000530216366 388630275 /nfs/dbraw/zinc/63/02/75/388630275.db2.gz BBVRTDYECIAQQC-IHRRRGAJSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@H](CC)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530216369 388630746 /nfs/dbraw/zinc/63/07/46/388630746.db2.gz BBVRTDYECIAQQC-MELADBBJSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCNC12CCC2 ZINC000530216369 388630744 /nfs/dbraw/zinc/63/07/44/388630744.db2.gz BBVRTDYECIAQQC-MELADBBJSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@@H](CC)N[C@H]1CC[NH2+]C12CCC2 ZINC000530216371 388630244 /nfs/dbraw/zinc/63/02/44/388630244.db2.gz BBVRTDYECIAQQC-MJBXVCDLSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCNC12CCC2 ZINC000530216371 388630243 /nfs/dbraw/zinc/63/02/43/388630243.db2.gz BBVRTDYECIAQQC-MJBXVCDLSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]([NH2+][C@@H]1CCNC12CCC2)C(C)(C)C ZINC000530218961 388631625 /nfs/dbraw/zinc/63/16/25/388631625.db2.gz XYVYZCOFIVKLET-CHWSQXEVSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000530218961 388631623 /nfs/dbraw/zinc/63/16/23/388631623.db2.gz XYVYZCOFIVKLET-CHWSQXEVSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]([NH2+][C@H]1CCNC12CCC2)C(C)(C)C ZINC000530218962 388632111 /nfs/dbraw/zinc/63/21/11/388632111.db2.gz XYVYZCOFIVKLET-OLZOCXBDSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](N[C@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000530218962 388632109 /nfs/dbraw/zinc/63/21/09/388632109.db2.gz XYVYZCOFIVKLET-OLZOCXBDSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCNC12CCC2)C(C)(C)C ZINC000530218964 388631261 /nfs/dbraw/zinc/63/12/61/388631261.db2.gz XYVYZCOFIVKLET-QWHCGFSZSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](N[C@@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000530218964 388631259 /nfs/dbraw/zinc/63/12/59/388631259.db2.gz XYVYZCOFIVKLET-QWHCGFSZSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@H]1CCNC12CCC2)C(C)(C)C ZINC000530218966 388631345 /nfs/dbraw/zinc/63/13/45/388631345.db2.gz XYVYZCOFIVKLET-STQMWFEESA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](N[C@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000530218966 388631344 /nfs/dbraw/zinc/63/13/44/388631344.db2.gz XYVYZCOFIVKLET-STQMWFEESA-N 1 3 238.419 3.075 20 0 BGADHO Cc1cccc([C@H]([NH2+]C2CCNCC2)C(C)C)c1 ZINC000530221380 388632989 /nfs/dbraw/zinc/63/29/89/388632989.db2.gz DXEIPURBKFYSOX-MRXNPFEDSA-N 1 3 246.398 3.034 20 0 BGADHO Cc1cccc([C@H](NC2CC[NH2+]CC2)C(C)C)c1 ZINC000530221380 388632988 /nfs/dbraw/zinc/63/29/88/388632988.db2.gz DXEIPURBKFYSOX-MRXNPFEDSA-N 1 3 246.398 3.034 20 0 BGADHO CC[C@@H]([NH2+]C1CCNCC1)c1cc(C)ccc1C ZINC000530224627 323218991 /nfs/dbraw/zinc/21/89/91/323218991.db2.gz RYSIVRJCBWMCDH-MRXNPFEDSA-N 1 3 246.398 3.096 20 0 BGADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000531737402 323112235 /nfs/dbraw/zinc/11/22/35/323112235.db2.gz MBVHFICWMFYBSQ-BARDWOONSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000531737403 323112212 /nfs/dbraw/zinc/11/22/12/323112212.db2.gz MBVHFICWMFYBSQ-KBXIAJHMSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000531737404 323112259 /nfs/dbraw/zinc/11/22/59/323112259.db2.gz MBVHFICWMFYBSQ-QPSCCSFWSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000531737405 323112233 /nfs/dbraw/zinc/11/22/33/323112233.db2.gz MBVHFICWMFYBSQ-TUVASFSCSA-N 1 3 238.419 3.028 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H](C)CCC=C(C)C ZINC000531935319 323155154 /nfs/dbraw/zinc/15/51/54/323155154.db2.gz ZQRYCKOYLBCYLW-HNNXBMFYSA-N 1 3 240.435 3.443 20 0 BGADHO CCN(CC)CCC[NH2+][C@H](C)CCC=C(C)C ZINC000531935320 323155158 /nfs/dbraw/zinc/15/51/58/323155158.db2.gz ZQRYCKOYLBCYLW-OAHLLOKOSA-N 1 3 240.435 3.443 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000532200053 323209007 /nfs/dbraw/zinc/20/90/07/323209007.db2.gz BIBBAGQZGBLHNH-HNNXBMFYSA-N 1 3 240.435 3.441 20 0 BGADHO CC(C)=CCC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000532200054 323208967 /nfs/dbraw/zinc/20/89/67/323208967.db2.gz BIBBAGQZGBLHNH-OAHLLOKOSA-N 1 3 240.435 3.441 20 0 BGADHO C[NH+](C)CCCN[C@@H](CC1CC1)c1ccccc1 ZINC000532442254 323265210 /nfs/dbraw/zinc/26/52/10/323265210.db2.gz OQLRKBMLVOTKSW-INIZCTEOSA-N 1 3 246.398 3.069 20 0 BGADHO C[NH+](C)CCCN[C@H](CC1CC1)c1ccccc1 ZINC000532442257 323265047 /nfs/dbraw/zinc/26/50/47/323265047.db2.gz OQLRKBMLVOTKSW-MRXNPFEDSA-N 1 3 246.398 3.069 20 0 BGADHO CCC[C@H](C)[C@@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000539507664 388762978 /nfs/dbraw/zinc/76/29/78/388762978.db2.gz PBZNBQULSGEXCN-DZGCQCFKSA-N 1 3 238.419 3.053 20 0 BGADHO CCC[C@@H](C)[C@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000539507680 388763679 /nfs/dbraw/zinc/76/36/79/388763679.db2.gz PBZNBQULSGEXCN-HIFRSBDPSA-N 1 3 238.419 3.053 20 0 BGADHO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000539507681 388763176 /nfs/dbraw/zinc/76/31/76/388763176.db2.gz PBZNBQULSGEXCN-UKRRQHHQSA-N 1 3 238.419 3.053 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000539507682 388763094 /nfs/dbraw/zinc/76/30/94/388763094.db2.gz PBZNBQULSGEXCN-ZFWWWQNUSA-N 1 3 238.419 3.053 20 0 BGADHO CC[NH+](CC)CCCN(C)[C@H](C)C(C)(C)C ZINC000548910510 398138971 /nfs/dbraw/zinc/13/89/71/398138971.db2.gz GBWXBXMHRULNFW-CYBMUJFWSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000548910510 398138967 /nfs/dbraw/zinc/13/89/67/398138967.db2.gz GBWXBXMHRULNFW-CYBMUJFWSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@H](C)C(C)(C)C ZINC000548910510 398138966 /nfs/dbraw/zinc/13/89/66/398138966.db2.gz GBWXBXMHRULNFW-CYBMUJFWSA-N 1 3 228.424 3.085 20 0 BGADHO CC[NH+](CC)CCCN(C)[C@@H](C)C(C)(C)C ZINC000548910514 398139074 /nfs/dbraw/zinc/13/90/74/398139074.db2.gz GBWXBXMHRULNFW-ZDUSSCGKSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000548910514 398139071 /nfs/dbraw/zinc/13/90/71/398139071.db2.gz GBWXBXMHRULNFW-ZDUSSCGKSA-N 1 3 228.424 3.085 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000548910514 398139070 /nfs/dbraw/zinc/13/90/70/398139070.db2.gz GBWXBXMHRULNFW-ZDUSSCGKSA-N 1 3 228.424 3.085 20 0 BGADHO CC[C@H]1CCCCC[N@H+]1CCCN(CC)CC ZINC000549137136 388573067 /nfs/dbraw/zinc/57/30/67/388573067.db2.gz LJIXXGCZFPNNFV-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CC[C@H]1CCCCC[N@@H+]1CCCN(CC)CC ZINC000549137136 388573066 /nfs/dbraw/zinc/57/30/66/388573066.db2.gz LJIXXGCZFPNNFV-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CC[C@@H]1CCCCC[N@H+]1CCCN(CC)CC ZINC000549137137 388573664 /nfs/dbraw/zinc/57/36/64/388573664.db2.gz LJIXXGCZFPNNFV-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CC[C@@H]1CCCCC[N@@H+]1CCCN(CC)CC ZINC000549137137 388573660 /nfs/dbraw/zinc/57/36/60/388573660.db2.gz LJIXXGCZFPNNFV-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CC[C@H]1CCCN(CCC[NH+](CC)CC)CC1 ZINC000549138954 388573395 /nfs/dbraw/zinc/57/33/95/388573395.db2.gz OKECQWSVHRKDKG-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO CC[C@H]1CCC[N@@H+](CCCN(CC)CC)CC1 ZINC000549138954 388573394 /nfs/dbraw/zinc/57/33/94/388573394.db2.gz OKECQWSVHRKDKG-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO CC[C@H]1CCC[N@H+](CCCN(CC)CC)CC1 ZINC000549138954 388573393 /nfs/dbraw/zinc/57/33/93/388573393.db2.gz OKECQWSVHRKDKG-HNNXBMFYSA-N 1 3 240.435 3.230 20 0 BGADHO CC[C@@H]1CCCN(CCC[NH+](CC)CC)CC1 ZINC000549138955 388573180 /nfs/dbraw/zinc/57/31/80/388573180.db2.gz OKECQWSVHRKDKG-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CC[C@@H]1CCC[N@@H+](CCCN(CC)CC)CC1 ZINC000549138955 388573179 /nfs/dbraw/zinc/57/31/79/388573179.db2.gz OKECQWSVHRKDKG-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CC[C@@H]1CCC[N@H+](CCCN(CC)CC)CC1 ZINC000549138955 388573177 /nfs/dbraw/zinc/57/31/77/388573177.db2.gz OKECQWSVHRKDKG-OAHLLOKOSA-N 1 3 240.435 3.230 20 0 BGADHO CC[NH+](CC)CCCN1CCC[C@H](C(C)C)C1 ZINC000549166860 388574985 /nfs/dbraw/zinc/57/49/85/388574985.db2.gz SBPHEMVOEXUDLD-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@H+]1CCC[C@H](C(C)C)C1 ZINC000549166860 388574983 /nfs/dbraw/zinc/57/49/83/388574983.db2.gz SBPHEMVOEXUDLD-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000549166860 388574981 /nfs/dbraw/zinc/57/49/81/388574981.db2.gz SBPHEMVOEXUDLD-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CC[NH+](CC)CCCN1CCC[C@@H](C(C)C)C1 ZINC000549166861 388574152 /nfs/dbraw/zinc/57/41/52/388574152.db2.gz SBPHEMVOEXUDLD-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000549166861 388574148 /nfs/dbraw/zinc/57/41/48/388574148.db2.gz SBPHEMVOEXUDLD-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000549166861 388574145 /nfs/dbraw/zinc/57/41/45/388574145.db2.gz SBPHEMVOEXUDLD-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[NH+](CCC)CCCNC1CC(CC)C1 ZINC000551529049 325559653 /nfs/dbraw/zinc/55/96/53/325559653.db2.gz AHIVNAFNRLLOIN-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO CC1(C)CCCN1CCC[N@H+]1CCCC1(C)C ZINC000551902044 388646092 /nfs/dbraw/zinc/64/60/92/388646092.db2.gz UAXAXLUSIOZSQJ-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CC1(C)CCCN1CCC[N@@H+]1CCCC1(C)C ZINC000551902044 388646089 /nfs/dbraw/zinc/64/60/89/388646089.db2.gz UAXAXLUSIOZSQJ-UHFFFAOYSA-N 1 3 238.419 3.125 20 0 BGADHO CC1CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000553528898 388782229 /nfs/dbraw/zinc/78/22/29/388782229.db2.gz FZGHPQMJEGPRPB-CVSAEHQPSA-N 1 3 238.419 3.028 20 0 BGADHO CC1CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000553528900 325695378 /nfs/dbraw/zinc/69/53/78/325695378.db2.gz FZGHPQMJEGPRPB-NEXFUWMNSA-N 1 3 238.419 3.028 20 0 BGADHO CC1CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000553528901 388780664 /nfs/dbraw/zinc/78/06/64/388780664.db2.gz FZGHPQMJEGPRPB-PFSRBDOWSA-N 1 3 238.419 3.028 20 0 BGADHO CC1CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000553528902 325695202 /nfs/dbraw/zinc/69/52/02/325695202.db2.gz FZGHPQMJEGPRPB-WUCCLRPBSA-N 1 3 238.419 3.028 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000554050881 388798254 /nfs/dbraw/zinc/79/82/54/388798254.db2.gz WRAFUYDIBHCODR-KBPBESRZSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000554050882 388797551 /nfs/dbraw/zinc/79/75/51/388797551.db2.gz WRAFUYDIBHCODR-KGLIPLIRSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000554050883 388798119 /nfs/dbraw/zinc/79/81/19/388798119.db2.gz WRAFUYDIBHCODR-UONOGXRCSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000554050884 388797973 /nfs/dbraw/zinc/79/79/73/388797973.db2.gz WRAFUYDIBHCODR-ZIAGYGMSSA-N 1 3 240.435 3.131 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@H]1CC[C@H]1CC ZINC000554360898 388811720 /nfs/dbraw/zinc/81/17/20/388811720.db2.gz NOVMZCOPSFFNTC-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCC[NH+](CCC)CCCN[C@H]1CC[C@H]1CC ZINC000554360898 388811717 /nfs/dbraw/zinc/81/17/17/388811717.db2.gz NOVMZCOPSFFNTC-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@H]1CC[C@@H]1CC ZINC000554360900 388811708 /nfs/dbraw/zinc/81/17/08/388811708.db2.gz NOVMZCOPSFFNTC-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[NH+](CCC)CCCN[C@H]1CC[C@@H]1CC ZINC000554360900 388811706 /nfs/dbraw/zinc/81/17/06/388811706.db2.gz NOVMZCOPSFFNTC-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H]1CC[C@H]1CC ZINC000554360901 388812147 /nfs/dbraw/zinc/81/21/47/388812147.db2.gz NOVMZCOPSFFNTC-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[NH+](CCC)CCCN[C@@H]1CC[C@H]1CC ZINC000554360901 388812142 /nfs/dbraw/zinc/81/21/42/388812142.db2.gz NOVMZCOPSFFNTC-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCCN(CCC)CCC[NH2+][C@@H]1CC[C@@H]1CC ZINC000554360903 388810744 /nfs/dbraw/zinc/81/07/44/388810744.db2.gz NOVMZCOPSFFNTC-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[NH+](CCC)CCCN[C@@H]1CC[C@@H]1CC ZINC000554360903 388810742 /nfs/dbraw/zinc/81/07/42/388810742.db2.gz NOVMZCOPSFFNTC-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CCC(CC)[N@@H+](CCCN(CC)CC)C1CC1 ZINC000554806831 388830837 /nfs/dbraw/zinc/83/08/37/388830837.db2.gz BZOGRUOGYCOINQ-UHFFFAOYSA-N 1 3 240.435 3.371 20 0 BGADHO CCC(CC)[N@H+](CCCN(CC)CC)C1CC1 ZINC000554806831 388830835 /nfs/dbraw/zinc/83/08/35/388830835.db2.gz BZOGRUOGYCOINQ-UHFFFAOYSA-N 1 3 240.435 3.371 20 0 BGADHO CCC[C@H]1CCCCN1CCC[NH+](CC)CC ZINC000554812399 388831054 /nfs/dbraw/zinc/83/10/54/388831054.db2.gz WGICLTODTOLBJR-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CCC[C@H]1CCCC[N@H+]1CCCN(CC)CC ZINC000554812399 388831052 /nfs/dbraw/zinc/83/10/52/388831052.db2.gz WGICLTODTOLBJR-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CCC[C@H]1CCCC[N@@H+]1CCCN(CC)CC ZINC000554812399 388831047 /nfs/dbraw/zinc/83/10/47/388831047.db2.gz WGICLTODTOLBJR-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CCC[C@@H]1CCCCN1CCC[NH+](CC)CC ZINC000554812403 388831189 /nfs/dbraw/zinc/83/11/89/388831189.db2.gz WGICLTODTOLBJR-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CCC[C@@H]1CCCC[N@H+]1CCCN(CC)CC ZINC000554812403 388831185 /nfs/dbraw/zinc/83/11/85/388831185.db2.gz WGICLTODTOLBJR-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CCC[C@@H]1CCCC[N@@H+]1CCCN(CC)CC ZINC000554812403 388831181 /nfs/dbraw/zinc/83/11/81/388831181.db2.gz WGICLTODTOLBJR-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CC[NH+](CC)CCCN1CC[C@@H](CC(C)C)C1 ZINC000554820850 388832561 /nfs/dbraw/zinc/83/25/61/388832561.db2.gz QIWMVVRCUNLREY-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000554820850 388832560 /nfs/dbraw/zinc/83/25/60/388832560.db2.gz QIWMVVRCUNLREY-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000554820850 388832559 /nfs/dbraw/zinc/83/25/59/388832559.db2.gz QIWMVVRCUNLREY-HNNXBMFYSA-N 1 3 240.435 3.086 20 0 BGADHO CC[NH+](CC)CCCN1CC[C@H](CC(C)C)C1 ZINC000554820855 388833899 /nfs/dbraw/zinc/83/38/99/388833899.db2.gz QIWMVVRCUNLREY-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@H+]1CC[C@H](CC(C)C)C1 ZINC000554820855 388833895 /nfs/dbraw/zinc/83/38/95/388833895.db2.gz QIWMVVRCUNLREY-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CCN(CC)CCC[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000554820855 388833889 /nfs/dbraw/zinc/83/38/89/388833889.db2.gz QIWMVVRCUNLREY-OAHLLOKOSA-N 1 3 240.435 3.086 20 0 BGADHO CN(CCC[NH2+]CC1(C)CC1)C1CCCCC1 ZINC000555526160 388851739 /nfs/dbraw/zinc/85/17/39/388851739.db2.gz GWLBOWCWSWHHHV-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@@H+](CCCNCC1(C)CC1)C1CCCCC1 ZINC000555526160 388851736 /nfs/dbraw/zinc/85/17/36/388851736.db2.gz GWLBOWCWSWHHHV-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO C[N@H+](CCCNCC1(C)CC1)C1CCCCC1 ZINC000555526160 388851733 /nfs/dbraw/zinc/85/17/33/388851733.db2.gz GWLBOWCWSWHHHV-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CCC[NH+](CCC)CCCN[C@H]1CCC1(C)C ZINC000556582932 384429460 /nfs/dbraw/zinc/42/94/60/384429460.db2.gz CAQOVDCNIWDBHO-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCC[NH+](CCC)CCCN[C@@H]1CCC1(C)C ZINC000556582937 322916252 /nfs/dbraw/zinc/91/62/52/322916252.db2.gz CAQOVDCNIWDBHO-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000557082984 384801296 /nfs/dbraw/zinc/80/12/96/384801296.db2.gz AEWPSYKCCFCVLC-CABCVRRESA-N 1 3 240.435 3.085 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000557082984 384801292 /nfs/dbraw/zinc/80/12/92/384801292.db2.gz AEWPSYKCCFCVLC-CABCVRRESA-N 1 3 240.435 3.085 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000557082995 384799611 /nfs/dbraw/zinc/79/96/11/384799611.db2.gz AEWPSYKCCFCVLC-GJZGRUSLSA-N 1 3 240.435 3.085 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000557082995 384799606 /nfs/dbraw/zinc/79/96/06/384799606.db2.gz AEWPSYKCCFCVLC-GJZGRUSLSA-N 1 3 240.435 3.085 20 0 BGADHO CCN(CC)C[C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000557082996 384800189 /nfs/dbraw/zinc/80/01/89/384800189.db2.gz AEWPSYKCCFCVLC-HUUCEWRRSA-N 1 3 240.435 3.085 20 0 BGADHO CCN(CC)C[C@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000557082996 384800182 /nfs/dbraw/zinc/80/01/82/384800182.db2.gz AEWPSYKCCFCVLC-HUUCEWRRSA-N 1 3 240.435 3.085 20 0 BGADHO CCN(CC)C[C@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000557082997 384801506 /nfs/dbraw/zinc/80/15/06/384801506.db2.gz AEWPSYKCCFCVLC-LSDHHAIUSA-N 1 3 240.435 3.085 20 0 BGADHO CCN(CC)C[C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000557082997 384801503 /nfs/dbraw/zinc/80/15/03/384801503.db2.gz AEWPSYKCCFCVLC-LSDHHAIUSA-N 1 3 240.435 3.085 20 0 BGADHO CC[C@H]1CC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000558227048 398090124 /nfs/dbraw/zinc/09/01/24/398090124.db2.gz SRKZHVIBVMYFRO-AAEUAGOBSA-N 1 3 238.419 3.074 20 0 BGADHO CC[C@@H]1CC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000558227049 398090120 /nfs/dbraw/zinc/09/01/20/398090120.db2.gz SRKZHVIBVMYFRO-DGCLKSJQSA-N 1 3 238.419 3.074 20 0 BGADHO CC[C@H]1CC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000558227050 398090169 /nfs/dbraw/zinc/09/01/69/398090169.db2.gz SRKZHVIBVMYFRO-WCQYABFASA-N 1 3 238.419 3.074 20 0 BGADHO CC[C@@H]1CC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000558227052 398090132 /nfs/dbraw/zinc/09/01/32/398090132.db2.gz SRKZHVIBVMYFRO-YPMHNXCESA-N 1 3 238.419 3.074 20 0 BGADHO CCN(CCC[NH+](C)C)C[C@H](C)c1ccccc1 ZINC000558423428 383997999 /nfs/dbraw/zinc/99/79/99/383997999.db2.gz LTVDNKYMYGBPNC-HNNXBMFYSA-N 1 3 248.414 3.064 20 0 BGADHO CCN(CCC[NH+](C)C)C[C@@H](C)c1ccccc1 ZINC000558423429 383997143 /nfs/dbraw/zinc/99/71/43/383997143.db2.gz LTVDNKYMYGBPNC-OAHLLOKOSA-N 1 3 248.414 3.064 20 0 BGADHO CCN(CC)CCC[NH2+]C(C)(C)c1ccccc1 ZINC000558724903 384262272 /nfs/dbraw/zinc/26/22/72/384262272.db2.gz GFCVDOYKEHJLFV-UHFFFAOYSA-N 1 3 248.414 3.243 20 0 BGADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCCC1(C)C ZINC000560187058 383959454 /nfs/dbraw/zinc/95/94/54/383959454.db2.gz DVFKJCCJIUONQM-AWEZNQCLSA-N 1 3 238.419 3.124 20 0 BGADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCCC1(C)C ZINC000560187058 383959452 /nfs/dbraw/zinc/95/94/52/383959452.db2.gz DVFKJCCJIUONQM-AWEZNQCLSA-N 1 3 238.419 3.124 20 0 BGADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCCC1(C)C ZINC000560187064 383958967 /nfs/dbraw/zinc/95/89/67/383958967.db2.gz DVFKJCCJIUONQM-CQSZACIVSA-N 1 3 238.419 3.124 20 0 BGADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCCC1(C)C ZINC000560187064 383958963 /nfs/dbraw/zinc/95/89/63/383958963.db2.gz DVFKJCCJIUONQM-CQSZACIVSA-N 1 3 238.419 3.124 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000560341562 384082421 /nfs/dbraw/zinc/08/24/21/384082421.db2.gz XDFXDOSQLWELBP-CYBMUJFWSA-N 1 3 228.424 3.131 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000560341563 384081275 /nfs/dbraw/zinc/08/12/75/384081275.db2.gz XDFXDOSQLWELBP-ZDUSSCGKSA-N 1 3 228.424 3.131 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000562020053 323010570 /nfs/dbraw/zinc/01/05/70/323010570.db2.gz RYIBZZLWXXWGPK-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000562020055 323010483 /nfs/dbraw/zinc/01/04/83/323010483.db2.gz RYIBZZLWXXWGPK-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000562020057 323010520 /nfs/dbraw/zinc/01/05/20/323010520.db2.gz RYIBZZLWXXWGPK-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000562020058 323010522 /nfs/dbraw/zinc/01/05/22/323010522.db2.gz RYIBZZLWXXWGPK-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000562776548 323030297 /nfs/dbraw/zinc/03/02/97/323030297.db2.gz LFJJSUDTFNEMAA-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C(C)(C)CC)C1 ZINC000562776550 323030374 /nfs/dbraw/zinc/03/03/74/323030374.db2.gz LFJJSUDTFNEMAA-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000562776552 323030290 /nfs/dbraw/zinc/03/02/90/323030290.db2.gz LFJJSUDTFNEMAA-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO CCCN1CC[C@H](C[NH2+][C@H](C)C(C)(C)CC)C1 ZINC000562776553 323030323 /nfs/dbraw/zinc/03/03/23/323030323.db2.gz LFJJSUDTFNEMAA-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)c1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000562958883 323035229 /nfs/dbraw/zinc/03/52/29/323035229.db2.gz ZZPYXIMWKWFVRQ-KBPBESRZSA-N 1 3 248.414 3.068 20 0 BGADHO CC(C)c1ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000562958883 323035228 /nfs/dbraw/zinc/03/52/28/323035228.db2.gz ZZPYXIMWKWFVRQ-KBPBESRZSA-N 1 3 248.414 3.068 20 0 BGADHO CC(C)c1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000562958884 323035174 /nfs/dbraw/zinc/03/51/74/323035174.db2.gz ZZPYXIMWKWFVRQ-KGLIPLIRSA-N 1 3 248.414 3.068 20 0 BGADHO CC(C)c1ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cc1 ZINC000562958884 323035173 /nfs/dbraw/zinc/03/51/73/323035173.db2.gz ZZPYXIMWKWFVRQ-KGLIPLIRSA-N 1 3 248.414 3.068 20 0 BGADHO CC(C)c1ccc(CCN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000562958887 323035181 /nfs/dbraw/zinc/03/51/81/323035181.db2.gz ZZPYXIMWKWFVRQ-UONOGXRCSA-N 1 3 248.414 3.068 20 0 BGADHO CC(C)c1ccc(CC[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000562958887 323035180 /nfs/dbraw/zinc/03/51/80/323035180.db2.gz ZZPYXIMWKWFVRQ-UONOGXRCSA-N 1 3 248.414 3.068 20 0 BGADHO CC(C)c1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000562958889 323035345 /nfs/dbraw/zinc/03/53/45/323035345.db2.gz ZZPYXIMWKWFVRQ-ZIAGYGMSSA-N 1 3 248.414 3.068 20 0 BGADHO CC(C)c1ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cc1 ZINC000562958889 323035344 /nfs/dbraw/zinc/03/53/44/323035344.db2.gz ZZPYXIMWKWFVRQ-ZIAGYGMSSA-N 1 3 248.414 3.068 20 0 BGADHO CCNCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000563700279 323174289 /nfs/dbraw/zinc/17/42/89/323174289.db2.gz HYTJZHFFJGFTNH-AWEZNQCLSA-N 1 3 238.419 3.079 20 0 BGADHO CCNCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000563700314 323174297 /nfs/dbraw/zinc/17/42/97/323174297.db2.gz HYTJZHFFJGFTNH-CQSZACIVSA-N 1 3 238.419 3.079 20 0 BGADHO CCC1CC(NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000563858898 323181291 /nfs/dbraw/zinc/18/12/91/323181291.db2.gz MJVDXCKEKCVFTN-UHFFFAOYSA-N 1 3 238.419 3.074 20 0 BGADHO CCC1CC([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000563858898 323181290 /nfs/dbraw/zinc/18/12/90/323181290.db2.gz MJVDXCKEKCVFTN-UHFFFAOYSA-N 1 3 238.419 3.074 20 0 BGADHO CC(C)Cc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000564973431 384050709 /nfs/dbraw/zinc/05/07/09/384050709.db2.gz LGMLAVUEAZHHQQ-KBPBESRZSA-N 1 3 248.414 3.101 20 0 BGADHO CC(C)Cc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000564973432 384049185 /nfs/dbraw/zinc/04/91/85/384049185.db2.gz LGMLAVUEAZHHQQ-KGLIPLIRSA-N 1 3 248.414 3.101 20 0 BGADHO CC(C)Cc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000564973433 322985316 /nfs/dbraw/zinc/98/53/16/322985316.db2.gz LGMLAVUEAZHHQQ-UONOGXRCSA-N 1 3 248.414 3.101 20 0 BGADHO CC(C)Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000564973434 322985284 /nfs/dbraw/zinc/98/52/84/322985284.db2.gz LGMLAVUEAZHHQQ-ZIAGYGMSSA-N 1 3 248.414 3.101 20 0 BGADHO N[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000565226587 388928023 /nfs/dbraw/zinc/92/80/23/388928023.db2.gz LTVUMFOSYUXGIL-CABCVRRESA-N 1 3 236.403 3.127 20 0 BGADHO N[C@H]1CCC[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000565226594 388928391 /nfs/dbraw/zinc/92/83/91/388928391.db2.gz LTVUMFOSYUXGIL-GJZGRUSLSA-N 1 3 236.403 3.127 20 0 BGADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000565226595 388928314 /nfs/dbraw/zinc/92/83/14/388928314.db2.gz LTVUMFOSYUXGIL-HUUCEWRRSA-N 1 3 236.403 3.127 20 0 BGADHO N[C@H]1CCC[C@@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000565226596 388928382 /nfs/dbraw/zinc/92/83/82/388928382.db2.gz LTVUMFOSYUXGIL-LSDHHAIUSA-N 1 3 236.403 3.127 20 0 BGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000565227037 325881377 /nfs/dbraw/zinc/88/13/77/325881377.db2.gz ULJUDXXDVQDRRC-DGAVXFQQSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000565227038 388930184 /nfs/dbraw/zinc/93/01/84/388930184.db2.gz ULJUDXXDVQDRRC-FQUUOJAGSA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000565227039 388929449 /nfs/dbraw/zinc/92/94/49/388929449.db2.gz ULJUDXXDVQDRRC-RQJABVFESA-N 1 3 238.419 3.061 20 0 BGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000565227040 325881455 /nfs/dbraw/zinc/88/14/55/325881455.db2.gz ULJUDXXDVQDRRC-SYQHCUMBSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000565227166 388929369 /nfs/dbraw/zinc/92/93/69/388929369.db2.gz SKHMNTIODPYUCO-CAEXGNQWSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000565227167 388929320 /nfs/dbraw/zinc/92/93/20/388929320.db2.gz SKHMNTIODPYUCO-FQKPHLNHSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000565227168 388930027 /nfs/dbraw/zinc/93/00/27/388930027.db2.gz SKHMNTIODPYUCO-GZBLMMOJSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000565227169 325881390 /nfs/dbraw/zinc/88/13/90/325881390.db2.gz SKHMNTIODPYUCO-QTVXIADOSA-N 1 3 238.419 3.061 20 0 BGADHO CCC[C@H]([NH2+]CCCNC(C)C)C1CCCC1 ZINC000565416149 323105453 /nfs/dbraw/zinc/10/54/53/323105453.db2.gz YNENOTJQAJXFHW-HNNXBMFYSA-N 1 3 240.435 3.323 20 0 BGADHO CCC[C@@H]([NH2+]CCCNC(C)C)C1CCCC1 ZINC000565416150 323105451 /nfs/dbraw/zinc/10/54/51/323105451.db2.gz YNENOTJQAJXFHW-OAHLLOKOSA-N 1 3 240.435 3.323 20 0 BGADHO CC[C@H]([NH2+]CCCNC(C)C)C1CCCCC1 ZINC000566004079 388981627 /nfs/dbraw/zinc/98/16/27/388981627.db2.gz NHYPRXWKDKURPY-HNNXBMFYSA-N 1 3 240.435 3.323 20 0 BGADHO CC[C@@H]([NH2+]CCCNC(C)C)C1CCCCC1 ZINC000566004080 388982479 /nfs/dbraw/zinc/98/24/79/388982479.db2.gz NHYPRXWKDKURPY-OAHLLOKOSA-N 1 3 240.435 3.323 20 0 BGADHO CC(C)CC[C@H]([NH2+]CCCNC(C)C)C1CC1 ZINC000566088252 325991973 /nfs/dbraw/zinc/99/19/73/325991973.db2.gz DNPNEYYUYRHTIG-HNNXBMFYSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)CC[C@@H]([NH2+]CCCNC(C)C)C1CC1 ZINC000566088258 325992213 /nfs/dbraw/zinc/99/22/13/325992213.db2.gz DNPNEYYUYRHTIG-OAHLLOKOSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@@H](C)CCC1CCCC1 ZINC000566088395 322956612 /nfs/dbraw/zinc/95/66/12/322956612.db2.gz LCRBMEUHHBXUGF-AWEZNQCLSA-N 1 3 240.435 3.323 20 0 BGADHO CC(C)NCCC[NH2+][C@H](C)CCC1CCCC1 ZINC000566088396 322956628 /nfs/dbraw/zinc/95/66/28/322956628.db2.gz LCRBMEUHHBXUGF-CQSZACIVSA-N 1 3 240.435 3.323 20 0 BGADHO CCCC[C@H](CC)CCN1CCC([NH2+]C)CC1 ZINC000566225934 326018576 /nfs/dbraw/zinc/01/85/76/326018576.db2.gz HIJAJHDGCIYCSG-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@@H](CC)CCN1CCC([NH2+]C)CC1 ZINC000566225938 326018392 /nfs/dbraw/zinc/01/83/92/326018392.db2.gz HIJAJHDGCIYCSG-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000566484055 326056828 /nfs/dbraw/zinc/05/68/28/326056828.db2.gz ZODPZVHOABOZHE-APIJFGDWSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000566484058 326056800 /nfs/dbraw/zinc/05/68/00/326056800.db2.gz ZODPZVHOABOZHE-KBUPBQIOSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000566484059 326057084 /nfs/dbraw/zinc/05/70/84/326057084.db2.gz ZODPZVHOABOZHE-KBXIAJHMSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000566484060 326057088 /nfs/dbraw/zinc/05/70/88/326057088.db2.gz ZODPZVHOABOZHE-TUVASFSCSA-N 1 3 238.419 3.062 20 0 BGADHO N[C@@H]1CCC[C@H]([NH2+]CCCCC2CCCC2)C1 ZINC000566688964 326074519 /nfs/dbraw/zinc/07/45/19/326074519.db2.gz LZRIMXOBDUDRBU-CABCVRRESA-N 1 3 238.419 3.206 20 0 BGADHO N[C@H]1CCC[C@H]([NH2+]CCCCC2CCCC2)C1 ZINC000566688966 326074844 /nfs/dbraw/zinc/07/48/44/326074844.db2.gz LZRIMXOBDUDRBU-GJZGRUSLSA-N 1 3 238.419 3.206 20 0 BGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCC2CCCC2)C1 ZINC000566688967 326074742 /nfs/dbraw/zinc/07/47/42/326074742.db2.gz LZRIMXOBDUDRBU-HUUCEWRRSA-N 1 3 238.419 3.206 20 0 BGADHO N[C@H]1CCC[C@@H]([NH2+]CCCCC2CCCC2)C1 ZINC000566688968 326074602 /nfs/dbraw/zinc/07/46/02/326074602.db2.gz LZRIMXOBDUDRBU-LSDHHAIUSA-N 1 3 238.419 3.206 20 0 BGADHO CC(C)NCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000566967642 326097417 /nfs/dbraw/zinc/09/74/17/326097417.db2.gz WGXKNPRANZKLLC-CABCVRRESA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000566967643 326097139 /nfs/dbraw/zinc/09/71/39/326097139.db2.gz WGXKNPRANZKLLC-GJZGRUSLSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000566967644 326097248 /nfs/dbraw/zinc/09/72/48/326097248.db2.gz WGXKNPRANZKLLC-HUUCEWRRSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000566967645 326097377 /nfs/dbraw/zinc/09/73/77/326097377.db2.gz WGXKNPRANZKLLC-LSDHHAIUSA-N 1 3 240.435 3.179 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)N ZINC000567102503 326115987 /nfs/dbraw/zinc/11/59/87/326115987.db2.gz JJCSKWVQCIYWMN-DGAVXFQQSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)N ZINC000567102504 326116006 /nfs/dbraw/zinc/11/60/06/326116006.db2.gz JJCSKWVQCIYWMN-FQUUOJAGSA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)N ZINC000567102505 326115867 /nfs/dbraw/zinc/11/58/67/326115867.db2.gz JJCSKWVQCIYWMN-RQJABVFESA-N 1 3 226.408 3.061 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)N ZINC000567102506 326116143 /nfs/dbraw/zinc/11/61/43/326116143.db2.gz JJCSKWVQCIYWMN-SYQHCUMBSA-N 1 3 226.408 3.061 20 0 BGADHO CC(C)C[C@@H](C[N@@H+](C)CCCN)c1ccccc1 ZINC000567234874 326147770 /nfs/dbraw/zinc/14/77/70/326147770.db2.gz PNLBSJOZSBQZQR-INIZCTEOSA-N 1 3 248.414 3.097 20 0 BGADHO CC(C)C[C@@H](C[N@H+](C)CCCN)c1ccccc1 ZINC000567234874 326147769 /nfs/dbraw/zinc/14/77/69/326147769.db2.gz PNLBSJOZSBQZQR-INIZCTEOSA-N 1 3 248.414 3.097 20 0 BGADHO CC(C)C[C@H](C[N@@H+](C)CCCN)c1ccccc1 ZINC000567234875 326148015 /nfs/dbraw/zinc/14/80/15/326148015.db2.gz PNLBSJOZSBQZQR-MRXNPFEDSA-N 1 3 248.414 3.097 20 0 BGADHO CC(C)C[C@H](C[N@H+](C)CCCN)c1ccccc1 ZINC000567234875 326148013 /nfs/dbraw/zinc/14/80/13/326148013.db2.gz PNLBSJOZSBQZQR-MRXNPFEDSA-N 1 3 248.414 3.097 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC000567352816 326171884 /nfs/dbraw/zinc/17/18/84/326171884.db2.gz PARSVDWDTXVMIA-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC000567352817 326171982 /nfs/dbraw/zinc/17/19/82/326171982.db2.gz PARSVDWDTXVMIA-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CCC1CCCCCC1 ZINC000567352818 326172072 /nfs/dbraw/zinc/17/20/72/326172072.db2.gz PARSVDWDTXVMIA-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC000567352819 326172130 /nfs/dbraw/zinc/17/21/30/326172130.db2.gz PARSVDWDTXVMIA-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO CCNCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000567639063 323034349 /nfs/dbraw/zinc/03/43/49/323034349.db2.gz PUEMYTGWTZTSNT-AWEZNQCLSA-N 1 3 238.419 3.079 20 0 BGADHO CCNCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000567639064 323034322 /nfs/dbraw/zinc/03/43/22/323034322.db2.gz PUEMYTGWTZTSNT-CQSZACIVSA-N 1 3 238.419 3.079 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+]CCCNC(C)C ZINC000567639519 326236903 /nfs/dbraw/zinc/23/69/03/326236903.db2.gz XYCMFDVLLHJNNK-KBPBESRZSA-N 1 3 228.424 3.179 20 0 BGADHO CCC[C@@H](C)[C@H](CC)[NH2+]CCCNC(C)C ZINC000567639520 326236671 /nfs/dbraw/zinc/23/66/71/326236671.db2.gz XYCMFDVLLHJNNK-KGLIPLIRSA-N 1 3 228.424 3.179 20 0 BGADHO CCC[C@H](C)[C@@H](CC)[NH2+]CCCNC(C)C ZINC000567639521 326236703 /nfs/dbraw/zinc/23/67/03/326236703.db2.gz XYCMFDVLLHJNNK-UONOGXRCSA-N 1 3 228.424 3.179 20 0 BGADHO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCNC(C)C ZINC000567639522 326236837 /nfs/dbraw/zinc/23/68/37/326236837.db2.gz XYCMFDVLLHJNNK-ZIAGYGMSSA-N 1 3 228.424 3.179 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+]CCCNC(C)C ZINC000567890020 326277005 /nfs/dbraw/zinc/27/70/05/326277005.db2.gz WZNIDIGOCJQNTE-KBPBESRZSA-N 1 3 228.424 3.179 20 0 BGADHO CCCC[C@@H](C)[C@H](C)[NH2+]CCCNC(C)C ZINC000567890021 326277009 /nfs/dbraw/zinc/27/70/09/326277009.db2.gz WZNIDIGOCJQNTE-KGLIPLIRSA-N 1 3 228.424 3.179 20 0 BGADHO CCCC[C@H](C)[C@@H](C)[NH2+]CCCNC(C)C ZINC000567890022 326277168 /nfs/dbraw/zinc/27/71/68/326277168.db2.gz WZNIDIGOCJQNTE-UONOGXRCSA-N 1 3 228.424 3.179 20 0 BGADHO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCNC(C)C ZINC000567890023 326276996 /nfs/dbraw/zinc/27/69/96/326276996.db2.gz WZNIDIGOCJQNTE-ZIAGYGMSSA-N 1 3 228.424 3.179 20 0 BGADHO CCCC[C@H](C)N(C)CCC[NH+](CC)CC ZINC000568331659 326345325 /nfs/dbraw/zinc/34/53/25/326345325.db2.gz KWHIRRJGZNQOOC-AWEZNQCLSA-N 1 3 228.424 3.229 20 0 BGADHO CCCC[C@H](C)[N@@H+](C)CCCN(CC)CC ZINC000568331659 326345324 /nfs/dbraw/zinc/34/53/24/326345324.db2.gz KWHIRRJGZNQOOC-AWEZNQCLSA-N 1 3 228.424 3.229 20 0 BGADHO CCCC[C@H](C)[N@H+](C)CCCN(CC)CC ZINC000568331659 326345323 /nfs/dbraw/zinc/34/53/23/326345323.db2.gz KWHIRRJGZNQOOC-AWEZNQCLSA-N 1 3 228.424 3.229 20 0 BGADHO CCCC[C@@H](C)N(C)CCC[NH+](CC)CC ZINC000568331660 326345375 /nfs/dbraw/zinc/34/53/75/326345375.db2.gz KWHIRRJGZNQOOC-CQSZACIVSA-N 1 3 228.424 3.229 20 0 BGADHO CCCC[C@@H](C)[N@@H+](C)CCCN(CC)CC ZINC000568331660 326345373 /nfs/dbraw/zinc/34/53/73/326345373.db2.gz KWHIRRJGZNQOOC-CQSZACIVSA-N 1 3 228.424 3.229 20 0 BGADHO CCCC[C@@H](C)[N@H+](C)CCCN(CC)CC ZINC000568331660 326345372 /nfs/dbraw/zinc/34/53/72/326345372.db2.gz KWHIRRJGZNQOOC-CQSZACIVSA-N 1 3 228.424 3.229 20 0 BGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000569453095 384052491 /nfs/dbraw/zinc/05/24/91/384052491.db2.gz VTYKXCJQNQYZPC-BFHYXJOUSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000569453110 384053070 /nfs/dbraw/zinc/05/30/70/384053070.db2.gz VTYKXCJQNQYZPC-IHRRRGAJSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000569453112 322966495 /nfs/dbraw/zinc/96/64/95/322966495.db2.gz VTYKXCJQNQYZPC-MELADBBJSA-N 1 3 238.419 3.062 20 0 BGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000569453115 384054317 /nfs/dbraw/zinc/05/43/17/384054317.db2.gz VTYKXCJQNQYZPC-MJBXVCDLSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)CC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCC1 ZINC000569867627 323043113 /nfs/dbraw/zinc/04/31/13/323043113.db2.gz LWMJOICZFGKUKD-KBPBESRZSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCC1 ZINC000569867628 323043177 /nfs/dbraw/zinc/04/31/77/323043177.db2.gz LWMJOICZFGKUKD-KGLIPLIRSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCC1 ZINC000569867629 323043118 /nfs/dbraw/zinc/04/31/18/323043118.db2.gz LWMJOICZFGKUKD-UONOGXRCSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCC1 ZINC000569867630 323043115 /nfs/dbraw/zinc/04/31/15/323043115.db2.gz LWMJOICZFGKUKD-ZIAGYGMSSA-N 1 3 238.419 3.062 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000570175592 323052154 /nfs/dbraw/zinc/05/21/54/323052154.db2.gz KDWAHUYTXLNMFZ-KKUMJFAQSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570175596 323052079 /nfs/dbraw/zinc/05/20/79/323052079.db2.gz KDWAHUYTXLNMFZ-RRFJBIMHSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000570175600 323052047 /nfs/dbraw/zinc/05/20/47/323052047.db2.gz KDWAHUYTXLNMFZ-SOUVJXGZSA-N 1 3 246.398 3.224 20 0 BGADHO Cc1cccc(C)c1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000570175603 323052117 /nfs/dbraw/zinc/05/21/17/323052117.db2.gz KDWAHUYTXLNMFZ-ZNMIVQPWSA-N 1 3 246.398 3.224 20 0 BGADHO C[NH2+]CCCN1CCC[C@H]1CCC1CCCC1 ZINC000570338024 323056901 /nfs/dbraw/zinc/05/69/01/323056901.db2.gz QHJNJRDRBOWGRZ-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CNCCC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000570338024 323056900 /nfs/dbraw/zinc/05/69/00/323056900.db2.gz QHJNJRDRBOWGRZ-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO CNCCC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000570338024 323056899 /nfs/dbraw/zinc/05/68/99/323056899.db2.gz QHJNJRDRBOWGRZ-HNNXBMFYSA-N 1 3 238.419 3.031 20 0 BGADHO C[NH2+]CCCN1CCC[C@@H]1CCC1CCCC1 ZINC000570338025 323056944 /nfs/dbraw/zinc/05/69/44/323056944.db2.gz QHJNJRDRBOWGRZ-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CNCCC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000570338025 323056943 /nfs/dbraw/zinc/05/69/43/323056943.db2.gz QHJNJRDRBOWGRZ-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO CNCCC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000570338025 323056942 /nfs/dbraw/zinc/05/69/42/323056942.db2.gz QHJNJRDRBOWGRZ-OAHLLOKOSA-N 1 3 238.419 3.031 20 0 BGADHO C[C@@H](CCN(C)CCC[NH+](C)C)c1ccccc1 ZINC000570604408 346356470 /nfs/dbraw/zinc/35/64/70/346356470.db2.gz HTJFANQEIUXHSB-HNNXBMFYSA-N 1 3 248.414 3.064 20 0 BGADHO C[C@H](CCN(C)CCC[NH+](C)C)c1ccccc1 ZINC000570604414 346356771 /nfs/dbraw/zinc/35/67/71/346356771.db2.gz HTJFANQEIUXHSB-OAHLLOKOSA-N 1 3 248.414 3.064 20 0 BGADHO CC(C)NCCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000570792639 323070511 /nfs/dbraw/zinc/07/05/11/323070511.db2.gz YTBWBAFHFAIIEO-CABCVRRESA-N 1 3 248.414 3.156 20 0 BGADHO CC(C)[NH2+]CCCN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000570792639 323070510 /nfs/dbraw/zinc/07/05/10/323070510.db2.gz YTBWBAFHFAIIEO-CABCVRRESA-N 1 3 248.414 3.156 20 0 BGADHO CC(C)NCCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000570792640 323070405 /nfs/dbraw/zinc/07/04/05/323070405.db2.gz YTBWBAFHFAIIEO-GJZGRUSLSA-N 1 3 248.414 3.156 20 0 BGADHO CC(C)[NH2+]CCCN[C@@H](C)[C@H](C)c1ccccc1 ZINC000570792640 323070404 /nfs/dbraw/zinc/07/04/04/323070404.db2.gz YTBWBAFHFAIIEO-GJZGRUSLSA-N 1 3 248.414 3.156 20 0 BGADHO CC(C)NCCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000570792641 323070469 /nfs/dbraw/zinc/07/04/69/323070469.db2.gz YTBWBAFHFAIIEO-HUUCEWRRSA-N 1 3 248.414 3.156 20 0 BGADHO CC(C)[NH2+]CCCN[C@H](C)[C@@H](C)c1ccccc1 ZINC000570792641 323070468 /nfs/dbraw/zinc/07/04/68/323070468.db2.gz YTBWBAFHFAIIEO-HUUCEWRRSA-N 1 3 248.414 3.156 20 0 BGADHO CC(C)NCCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000570792642 323070515 /nfs/dbraw/zinc/07/05/15/323070515.db2.gz YTBWBAFHFAIIEO-LSDHHAIUSA-N 1 3 248.414 3.156 20 0 BGADHO CC(C)[NH2+]CCCN[C@H](C)[C@H](C)c1ccccc1 ZINC000570792642 323070514 /nfs/dbraw/zinc/07/05/14/323070514.db2.gz YTBWBAFHFAIIEO-LSDHHAIUSA-N 1 3 248.414 3.156 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000570942991 323076225 /nfs/dbraw/zinc/07/62/25/323076225.db2.gz XDOPRQOBIXOPMT-APIJFGDWSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000570942994 323076211 /nfs/dbraw/zinc/07/62/11/323076211.db2.gz XDOPRQOBIXOPMT-KBUPBQIOSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000570942998 323076183 /nfs/dbraw/zinc/07/61/83/323076183.db2.gz XDOPRQOBIXOPMT-KBXIAJHMSA-N 1 3 238.419 3.062 20 0 BGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000570943001 323076218 /nfs/dbraw/zinc/07/62/18/323076218.db2.gz XDOPRQOBIXOPMT-TUVASFSCSA-N 1 3 238.419 3.062 20 0 BGADHO CCCC[C@H](CCC)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000571462226 323145450 /nfs/dbraw/zinc/14/54/50/323145450.db2.gz REKYODQFMSXRLF-KKUMJFAQSA-N 1 3 240.435 3.452 20 0 BGADHO CCCC[C@H](CCC)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000571462237 323145529 /nfs/dbraw/zinc/14/55/29/323145529.db2.gz REKYODQFMSXRLF-RRFJBIMHSA-N 1 3 240.435 3.452 20 0 BGADHO CCCC[C@H](CCC)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000571462238 323145481 /nfs/dbraw/zinc/14/54/81/323145481.db2.gz REKYODQFMSXRLF-SOUVJXGZSA-N 1 3 240.435 3.452 20 0 BGADHO CCCC[C@H](CCC)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000571462241 323145387 /nfs/dbraw/zinc/14/53/87/323145387.db2.gz REKYODQFMSXRLF-ZNMIVQPWSA-N 1 3 240.435 3.452 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000571920227 387197204 /nfs/dbraw/zinc/19/72/04/387197204.db2.gz QENMPBSALDSWIX-KBPBESRZSA-N 1 3 238.419 3.053 20 0 BGADHO CCCC[C@@H](C)[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000571920231 387197904 /nfs/dbraw/zinc/19/79/04/387197904.db2.gz QENMPBSALDSWIX-KGLIPLIRSA-N 1 3 238.419 3.053 20 0 BGADHO CCCC[C@H](C)[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000571920232 387197736 /nfs/dbraw/zinc/19/77/36/387197736.db2.gz QENMPBSALDSWIX-UONOGXRCSA-N 1 3 238.419 3.053 20 0 BGADHO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000571920233 387197639 /nfs/dbraw/zinc/19/76/39/387197639.db2.gz QENMPBSALDSWIX-ZIAGYGMSSA-N 1 3 238.419 3.053 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000572702407 388367282 /nfs/dbraw/zinc/36/72/82/388367282.db2.gz FOLPXFSXQBTUOA-ILXRZTDVSA-N 1 3 240.435 3.323 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000572702408 388367546 /nfs/dbraw/zinc/36/75/46/388367546.db2.gz FOLPXFSXQBTUOA-KFWWJZLASA-N 1 3 240.435 3.323 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000572702409 388368047 /nfs/dbraw/zinc/36/80/47/388368047.db2.gz FOLPXFSXQBTUOA-KKUMJFAQSA-N 1 3 240.435 3.323 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000572702410 388367552 /nfs/dbraw/zinc/36/75/52/388367552.db2.gz FOLPXFSXQBTUOA-ZNMIVQPWSA-N 1 3 240.435 3.323 20 0 BGADHO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000572986037 326423064 /nfs/dbraw/zinc/42/30/64/326423064.db2.gz ZKIIXRYLJZAKHU-AEGPPILISA-N 1 3 238.419 3.205 20 0 BGADHO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000572986038 326422980 /nfs/dbraw/zinc/42/29/80/326422980.db2.gz ZKIIXRYLJZAKHU-CFVMTHIKSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000572986039 388402254 /nfs/dbraw/zinc/40/22/54/388402254.db2.gz ZKIIXRYLJZAKHU-NWANDNLSSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000572986040 388402262 /nfs/dbraw/zinc/40/22/62/388402262.db2.gz ZKIIXRYLJZAKHU-QEJZJMRPSA-N 1 3 238.419 3.205 20 0 BGADHO CC(C)NCCC[NH2+]C1CCC(C(C)C)CC1 ZINC000573082391 388419005 /nfs/dbraw/zinc/41/90/05/388419005.db2.gz ZYYOSJCBQFIOCN-UHFFFAOYSA-N 1 3 240.435 3.179 20 0 BGADHO CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)N)c1ccccc1 ZINC000573206748 326435360 /nfs/dbraw/zinc/43/53/60/326435360.db2.gz MGKMCYRSMBAUOY-IIAWOOMASA-N 1 3 248.414 3.286 20 0 BGADHO CCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)N)c1ccccc1 ZINC000573206749 326435381 /nfs/dbraw/zinc/43/53/81/326435381.db2.gz MGKMCYRSMBAUOY-IJEWVQPXSA-N 1 3 248.414 3.286 20 0 BGADHO CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)N)c1ccccc1 ZINC000573206750 326435395 /nfs/dbraw/zinc/43/53/95/326435395.db2.gz MGKMCYRSMBAUOY-OFQRWUPVSA-N 1 3 248.414 3.286 20 0 BGADHO CCC[C@H](C[NH2+][C@H](C)C[C@H](C)N)c1ccccc1 ZINC000573206751 388431323 /nfs/dbraw/zinc/43/13/23/388431323.db2.gz MGKMCYRSMBAUOY-SQWLQELKSA-N 1 3 248.414 3.286 20 0 BGADHO CCNCCC[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000574031344 364970723 /nfs/dbraw/zinc/97/07/23/364970723.db2.gz WXUYVLFLSJXTSW-KBPBESRZSA-N 1 3 228.424 3.036 20 0 BGADHO CCNCCC[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000574031345 364971300 /nfs/dbraw/zinc/97/13/00/364971300.db2.gz WXUYVLFLSJXTSW-KGLIPLIRSA-N 1 3 228.424 3.036 20 0 BGADHO CCNCCC[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000574031346 364970363 /nfs/dbraw/zinc/97/03/63/364970363.db2.gz WXUYVLFLSJXTSW-UONOGXRCSA-N 1 3 228.424 3.036 20 0 BGADHO CCNCCC[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000574031347 364970658 /nfs/dbraw/zinc/97/06/58/364970658.db2.gz WXUYVLFLSJXTSW-ZIAGYGMSSA-N 1 3 228.424 3.036 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000574152667 364996624 /nfs/dbraw/zinc/99/66/24/364996624.db2.gz NASQMJURAOTFHT-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000574152668 364990810 /nfs/dbraw/zinc/99/08/10/364990810.db2.gz NASQMJURAOTFHT-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000574152669 364991266 /nfs/dbraw/zinc/99/12/66/364991266.db2.gz NASQMJURAOTFHT-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000574152670 364990707 /nfs/dbraw/zinc/99/07/07/364990707.db2.gz NASQMJURAOTFHT-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000574370760 365045334 /nfs/dbraw/zinc/04/53/34/365045334.db2.gz IXGIEHBHVCJJHL-BFHYXJOUSA-N 1 3 240.435 3.274 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000574370762 365045269 /nfs/dbraw/zinc/04/52/69/365045269.db2.gz IXGIEHBHVCJJHL-IHRRRGAJSA-N 1 3 240.435 3.274 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000574370763 365045413 /nfs/dbraw/zinc/04/54/13/365045413.db2.gz IXGIEHBHVCJJHL-MELADBBJSA-N 1 3 240.435 3.274 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000574370764 365045608 /nfs/dbraw/zinc/04/56/08/365045608.db2.gz IXGIEHBHVCJJHL-MJBXVCDLSA-N 1 3 240.435 3.274 20 0 BGADHO CCNCCC[NH2+]C(CC(C)C)CC(C)C ZINC000574510675 365077343 /nfs/dbraw/zinc/07/73/43/365077343.db2.gz NXIQRTQGFLQXBL-UHFFFAOYSA-N 1 3 228.424 3.036 20 0 BGADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)C1CCCC1 ZINC000574824028 365155216 /nfs/dbraw/zinc/15/52/16/365155216.db2.gz WYLJHAPGVANOLV-KBPBESRZSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)C1CCCC1 ZINC000574824030 365154935 /nfs/dbraw/zinc/15/49/35/365154935.db2.gz WYLJHAPGVANOLV-KGLIPLIRSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)C1CCCC1 ZINC000574824031 365154818 /nfs/dbraw/zinc/15/48/18/365154818.db2.gz WYLJHAPGVANOLV-UONOGXRCSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCC1 ZINC000574824033 365154642 /nfs/dbraw/zinc/15/46/42/365154642.db2.gz WYLJHAPGVANOLV-ZIAGYGMSSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)NCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000574868758 345056878 /nfs/dbraw/zinc/05/68/78/345056878.db2.gz PEBZQSBRDXPNOE-CYBMUJFWSA-N 1 3 228.424 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000574868759 345056410 /nfs/dbraw/zinc/05/64/10/345056410.db2.gz PEBZQSBRDXPNOE-ZDUSSCGKSA-N 1 3 228.424 3.179 20 0 BGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccs1 ZINC000574917307 346410864 /nfs/dbraw/zinc/41/08/64/346410864.db2.gz GIIIXZOGDAYADF-LLVKDONJSA-N 1 3 246.379 3.058 20 0 BGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccs1 ZINC000574917308 346411085 /nfs/dbraw/zinc/41/10/85/346411085.db2.gz GIIIXZOGDAYADF-NSHDSACASA-N 1 3 246.379 3.058 20 0 BGADHO CCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCCC1 ZINC000576003066 365444999 /nfs/dbraw/zinc/44/49/99/365444999.db2.gz IVZUNIWTEMUNLP-KBPBESRZSA-N 1 3 238.419 3.206 20 0 BGADHO CCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCCC1 ZINC000576003067 365445199 /nfs/dbraw/zinc/44/51/99/365445199.db2.gz IVZUNIWTEMUNLP-KGLIPLIRSA-N 1 3 238.419 3.206 20 0 BGADHO CCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCCC1 ZINC000576003068 365445046 /nfs/dbraw/zinc/44/50/46/365445046.db2.gz IVZUNIWTEMUNLP-UONOGXRCSA-N 1 3 238.419 3.206 20 0 BGADHO CCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCCC1 ZINC000576003069 365445056 /nfs/dbraw/zinc/44/50/56/365445056.db2.gz IVZUNIWTEMUNLP-ZIAGYGMSSA-N 1 3 238.419 3.206 20 0 BGADHO CC(C)(C)CCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000577004386 365752906 /nfs/dbraw/zinc/75/29/06/365752906.db2.gz HBSBLXASBYKTBA-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO CC(C)(C)CCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000577004387 365753099 /nfs/dbraw/zinc/75/30/99/365753099.db2.gz HBSBLXASBYKTBA-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO CC(C)(C)CCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000577004388 365753018 /nfs/dbraw/zinc/75/30/18/365753018.db2.gz HBSBLXASBYKTBA-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO CC(C)(C)CCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000577004389 365752601 /nfs/dbraw/zinc/75/26/01/365752601.db2.gz HBSBLXASBYKTBA-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H](C)C[C@H](C)N ZINC000577062278 365799493 /nfs/dbraw/zinc/79/94/93/365799493.db2.gz FGJWMOCWYDZOKL-IHRRRGAJSA-N 1 3 228.424 3.308 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H](C)C[C@@H](C)N ZINC000577062281 365799021 /nfs/dbraw/zinc/79/90/21/365799021.db2.gz FGJWMOCWYDZOKL-MCIONIFRSA-N 1 3 228.424 3.308 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H](C)C[C@H](C)N ZINC000577062283 365798787 /nfs/dbraw/zinc/79/87/87/365798787.db2.gz FGJWMOCWYDZOKL-MJBXVCDLSA-N 1 3 228.424 3.308 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000577062284 365798716 /nfs/dbraw/zinc/79/87/16/365798716.db2.gz FGJWMOCWYDZOKL-RDBSUJKOSA-N 1 3 228.424 3.308 20 0 BGADHO CC1(C)CC(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000577274220 365911367 /nfs/dbraw/zinc/91/13/67/365911367.db2.gz QMOBRTWQOICEMX-CABCVRRESA-N 1 3 244.382 3.157 20 0 BGADHO CC1(C)CC(CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000577274221 365912148 /nfs/dbraw/zinc/91/21/48/365912148.db2.gz QMOBRTWQOICEMX-GJZGRUSLSA-N 1 3 244.382 3.157 20 0 BGADHO CC1(C)CC(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000577274222 365911565 /nfs/dbraw/zinc/91/15/65/365911565.db2.gz QMOBRTWQOICEMX-HUUCEWRRSA-N 1 3 244.382 3.157 20 0 BGADHO CC1(C)CC(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000577274223 365911437 /nfs/dbraw/zinc/91/14/37/365911437.db2.gz QMOBRTWQOICEMX-LSDHHAIUSA-N 1 3 244.382 3.157 20 0 BGADHO C[C@@H](C[NH2+][C@H](C)C[C@H](C)N)CC1CCCCC1 ZINC000577850007 366083448 /nfs/dbraw/zinc/08/34/48/366083448.db2.gz RKPZVLPWQMOYFM-HZSPNIEDSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000577850008 366084427 /nfs/dbraw/zinc/08/44/27/366084427.db2.gz RKPZVLPWQMOYFM-IHRRRGAJSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000577850009 366084185 /nfs/dbraw/zinc/08/41/85/366084185.db2.gz RKPZVLPWQMOYFM-MELADBBJSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)CC1CCCCC1 ZINC000577850010 366083756 /nfs/dbraw/zinc/08/37/56/366083756.db2.gz RKPZVLPWQMOYFM-RDBSUJKOSA-N 1 3 240.435 3.308 20 0 BGADHO CC1CCC(C)(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000578668695 366624644 /nfs/dbraw/zinc/62/46/44/366624644.db2.gz LMGARULQDDQHCC-FUUBYGMNSA-N 1 3 238.419 3.062 20 0 BGADHO CC1CCC(C)(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000578668696 366624559 /nfs/dbraw/zinc/62/45/59/366624559.db2.gz LMGARULQDDQHCC-GQKFXUNGSA-N 1 3 238.419 3.062 20 0 BGADHO CC1CCC(C)(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000578668697 366624718 /nfs/dbraw/zinc/62/47/18/366624718.db2.gz LMGARULQDDQHCC-PIOWNMBXSA-N 1 3 238.419 3.062 20 0 BGADHO CC1CCC(C)(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000578668698 366624506 /nfs/dbraw/zinc/62/45/06/366624506.db2.gz LMGARULQDDQHCC-RAFNIBEQSA-N 1 3 238.419 3.062 20 0 BGADHO CCCC1CCC(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000578891547 366668996 /nfs/dbraw/zinc/66/89/96/366668996.db2.gz DFSWCPPOWAFMPA-DNDYEEKYSA-N 1 3 240.435 3.308 20 0 BGADHO CCCC1CCC(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000578891551 366669436 /nfs/dbraw/zinc/66/94/36/366669436.db2.gz DFSWCPPOWAFMPA-HESLUPGFSA-N 1 3 240.435 3.308 20 0 BGADHO CCCC1CCC(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000578891552 366669056 /nfs/dbraw/zinc/66/90/56/366669056.db2.gz DFSWCPPOWAFMPA-LMRVLLHPSA-N 1 3 240.435 3.308 20 0 BGADHO CCCC1CCC(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000578891553 366669011 /nfs/dbraw/zinc/66/90/11/366669011.db2.gz DFSWCPPOWAFMPA-ZUJMUWTESA-N 1 3 240.435 3.308 20 0 BGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccsc1 ZINC000579354940 344956286 /nfs/dbraw/zinc/95/62/86/344956286.db2.gz RRYSLJBIOYNNCH-LLVKDONJSA-N 1 3 246.379 3.058 20 0 BGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccsc1 ZINC000579354941 344956737 /nfs/dbraw/zinc/95/67/37/344956737.db2.gz RRYSLJBIOYNNCH-NSHDSACASA-N 1 3 246.379 3.058 20 0 BGADHO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000579580734 366886936 /nfs/dbraw/zinc/88/69/36/366886936.db2.gz DAINWMNNEHRPIY-GBJTYRQASA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000579580734 366886932 /nfs/dbraw/zinc/88/69/32/366886932.db2.gz DAINWMNNEHRPIY-GBJTYRQASA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CCCN1 ZINC000579580735 366887121 /nfs/dbraw/zinc/88/71/21/366887121.db2.gz DAINWMNNEHRPIY-KBUPBQIOSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000579580735 366887119 /nfs/dbraw/zinc/88/71/19/366887119.db2.gz DAINWMNNEHRPIY-KBUPBQIOSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCN1 ZINC000579580736 366887291 /nfs/dbraw/zinc/88/72/91/366887291.db2.gz DAINWMNNEHRPIY-TUVASFSCSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000579580736 366887290 /nfs/dbraw/zinc/88/72/90/366887290.db2.gz DAINWMNNEHRPIY-TUVASFSCSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000579580737 366882906 /nfs/dbraw/zinc/88/29/06/366882906.db2.gz DAINWMNNEHRPIY-YJNKXOJESA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000579580737 366882903 /nfs/dbraw/zinc/88/29/03/366882903.db2.gz DAINWMNNEHRPIY-YJNKXOJESA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+]CCCNC(C)C ZINC000579944670 367094914 /nfs/dbraw/zinc/09/49/14/367094914.db2.gz ONVUEGBOMROPBX-KBPBESRZSA-N 1 3 228.424 3.179 20 0 BGADHO CC[C@@H](C)C[C@H](CC)[NH2+]CCCNC(C)C ZINC000579944671 367095272 /nfs/dbraw/zinc/09/52/72/367095272.db2.gz ONVUEGBOMROPBX-KGLIPLIRSA-N 1 3 228.424 3.179 20 0 BGADHO CC[C@H](C[C@@H](C)CC)[NH2+]CCCNC(C)C ZINC000579944672 367094976 /nfs/dbraw/zinc/09/49/76/367094976.db2.gz ONVUEGBOMROPBX-UONOGXRCSA-N 1 3 228.424 3.179 20 0 BGADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCNC(C)C ZINC000579944673 367095374 /nfs/dbraw/zinc/09/53/74/367095374.db2.gz ONVUEGBOMROPBX-ZIAGYGMSSA-N 1 3 228.424 3.179 20 0 BGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H](N)C1)CC(C)(C)C ZINC000579978722 367114328 /nfs/dbraw/zinc/11/43/28/367114328.db2.gz AZOJURGTMLLWKS-HZSPNIEDSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](N)C1)CC(C)(C)C ZINC000579978723 367114746 /nfs/dbraw/zinc/11/47/46/367114746.db2.gz AZOJURGTMLLWKS-MCIONIFRSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](N)C1)CC(C)(C)C ZINC000579978724 367113973 /nfs/dbraw/zinc/11/39/73/367113973.db2.gz AZOJURGTMLLWKS-MGPQQGTHSA-N 1 3 240.435 3.308 20 0 BGADHO C[C@H](CC[NH2+][C@H]1CCC[C@H](N)C1)CC(C)(C)C ZINC000579978725 367114607 /nfs/dbraw/zinc/11/46/07/367114607.db2.gz AZOJURGTMLLWKS-RDBSUJKOSA-N 1 3 240.435 3.308 20 0 BGADHO CCN(CC)CCC[NH2+][C@H](C)C(C)(C)CC ZINC000580157859 346575573 /nfs/dbraw/zinc/57/55/73/346575573.db2.gz VDWFYRYRDASHAS-CYBMUJFWSA-N 1 3 228.424 3.133 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H](C)C(C)(C)CC ZINC000580157860 346575587 /nfs/dbraw/zinc/57/55/87/346575587.db2.gz VDWFYRYRDASHAS-ZDUSSCGKSA-N 1 3 228.424 3.133 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+]CCCNC(C)C ZINC000580431916 359542607 /nfs/dbraw/zinc/54/26/07/359542607.db2.gz WOSQAOKMZVQHJZ-AWEZNQCLSA-N 1 3 226.408 3.099 20 0 BGADHO CC(C)=CCC[C@@H](C)[NH2+]CCCNC(C)C ZINC000580431917 359542451 /nfs/dbraw/zinc/54/24/51/359542451.db2.gz WOSQAOKMZVQHJZ-CQSZACIVSA-N 1 3 226.408 3.099 20 0 BGADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000580740372 367153033 /nfs/dbraw/zinc/15/30/33/367153033.db2.gz MHCDCMMJKQVJQJ-KKUMJFAQSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000580740373 367152851 /nfs/dbraw/zinc/15/28/51/367152851.db2.gz MHCDCMMJKQVJQJ-RRFJBIMHSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000580740374 367153061 /nfs/dbraw/zinc/15/30/61/367153061.db2.gz MHCDCMMJKQVJQJ-SOUVJXGZSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000580740375 367152246 /nfs/dbraw/zinc/15/22/46/367152246.db2.gz MHCDCMMJKQVJQJ-ZNMIVQPWSA-N 1 3 240.435 3.131 20 0 BGADHO CCN(CC)CCC[NH+]1CCC(C(C)C)CC1 ZINC000580846310 367187206 /nfs/dbraw/zinc/18/72/06/367187206.db2.gz XXRKLIYUKYYCHT-UHFFFAOYSA-N 1 3 240.435 3.086 20 0 BGADHO CCC[C@@H]([NH2+]CCCNC(C)C)C(C)(C)C ZINC000581005722 367231313 /nfs/dbraw/zinc/23/13/13/367231313.db2.gz DLEPFGODVPOSQM-CYBMUJFWSA-N 1 3 228.424 3.179 20 0 BGADHO CCC[C@H]([NH2+]CCCNC(C)C)C(C)(C)C ZINC000581005723 367231257 /nfs/dbraw/zinc/23/12/57/367231257.db2.gz DLEPFGODVPOSQM-ZDUSSCGKSA-N 1 3 228.424 3.179 20 0 BGADHO CC(C)NCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000582116266 347377830 /nfs/dbraw/zinc/37/78/30/347377830.db2.gz LLUJTLQTXSLOSG-AWEZNQCLSA-N 1 3 238.419 3.077 20 0 BGADHO CC(C)NCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000582116267 347378102 /nfs/dbraw/zinc/37/81/02/347378102.db2.gz LLUJTLQTXSLOSG-CQSZACIVSA-N 1 3 238.419 3.077 20 0 BGADHO CCC(CC)[N@@H+](CC)CCCN(CC)CC ZINC000582264824 356964968 /nfs/dbraw/zinc/96/49/68/356964968.db2.gz AVWWVVYPWKKEJZ-UHFFFAOYSA-N 1 3 228.424 3.229 20 0 BGADHO CCC(CC)[N@H+](CC)CCCN(CC)CC ZINC000582264824 356964966 /nfs/dbraw/zinc/96/49/66/356964966.db2.gz AVWWVVYPWKKEJZ-UHFFFAOYSA-N 1 3 228.424 3.229 20 0 BGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000582922738 357436852 /nfs/dbraw/zinc/43/68/52/357436852.db2.gz MIRCEBJAGBRANY-CABCVRRESA-N 1 3 238.419 3.172 20 0 BGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000582922739 357437143 /nfs/dbraw/zinc/43/71/43/357437143.db2.gz MIRCEBJAGBRANY-GJZGRUSLSA-N 1 3 238.419 3.172 20 0 BGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000582922740 357437052 /nfs/dbraw/zinc/43/70/52/357437052.db2.gz MIRCEBJAGBRANY-HUUCEWRRSA-N 1 3 238.419 3.172 20 0 BGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000582922741 357436811 /nfs/dbraw/zinc/43/68/11/357436811.db2.gz MIRCEBJAGBRANY-LSDHHAIUSA-N 1 3 238.419 3.172 20 0 BGADHO CC(C)[NH2+]CCCN[C@H](c1ccccc1)C(C)C ZINC000583687471 357120106 /nfs/dbraw/zinc/12/01/06/357120106.db2.gz CSQTVNLCYGXOCS-INIZCTEOSA-N 1 3 248.414 3.361 20 0 BGADHO CC(C)[NH2+]CCCN[C@@H](c1ccccc1)C(C)C ZINC000583687472 357120025 /nfs/dbraw/zinc/12/00/25/357120025.db2.gz CSQTVNLCYGXOCS-MRXNPFEDSA-N 1 3 248.414 3.361 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000583740621 357931738 /nfs/dbraw/zinc/93/17/38/357931738.db2.gz DADOUPODYOTQJQ-CABCVRRESA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000583740621 357931737 /nfs/dbraw/zinc/93/17/37/357931737.db2.gz DADOUPODYOTQJQ-CABCVRRESA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000583740622 357931662 /nfs/dbraw/zinc/93/16/62/357931662.db2.gz DADOUPODYOTQJQ-GJZGRUSLSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000583740622 357931661 /nfs/dbraw/zinc/93/16/61/357931661.db2.gz DADOUPODYOTQJQ-GJZGRUSLSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000583740623 357931595 /nfs/dbraw/zinc/93/15/95/357931595.db2.gz DADOUPODYOTQJQ-HUUCEWRRSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000583740623 357931592 /nfs/dbraw/zinc/93/15/92/357931592.db2.gz DADOUPODYOTQJQ-HUUCEWRRSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000583740624 357931585 /nfs/dbraw/zinc/93/15/85/357931585.db2.gz DADOUPODYOTQJQ-LSDHHAIUSA-N 1 3 240.435 3.229 20 0 BGADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000583740624 357931583 /nfs/dbraw/zinc/93/15/83/357931583.db2.gz DADOUPODYOTQJQ-LSDHHAIUSA-N 1 3 240.435 3.229 20 0 BGADHO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000584302293 344439070 /nfs/dbraw/zinc/43/90/70/344439070.db2.gz ZKIIXRYLJZAKHU-BPLDGKMQSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000584302294 344439084 /nfs/dbraw/zinc/43/90/84/344439084.db2.gz ZKIIXRYLJZAKHU-SNPRPXQTSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000584302295 344438975 /nfs/dbraw/zinc/43/89/75/344438975.db2.gz ZKIIXRYLJZAKHU-VHDGCEQUSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000584302296 344438888 /nfs/dbraw/zinc/43/88/88/344438888.db2.gz ZKIIXRYLJZAKHU-YUELXQCFSA-N 1 3 238.419 3.205 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000584426883 357919107 /nfs/dbraw/zinc/91/91/07/357919107.db2.gz UYXDYXFCFDCJNI-CABCVRRESA-N 1 3 240.435 3.085 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000584426883 357919103 /nfs/dbraw/zinc/91/91/03/357919103.db2.gz UYXDYXFCFDCJNI-CABCVRRESA-N 1 3 240.435 3.085 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000584426884 357919474 /nfs/dbraw/zinc/91/94/74/357919474.db2.gz UYXDYXFCFDCJNI-GJZGRUSLSA-N 1 3 240.435 3.085 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000584426884 357919470 /nfs/dbraw/zinc/91/94/70/357919470.db2.gz UYXDYXFCFDCJNI-GJZGRUSLSA-N 1 3 240.435 3.085 20 0 BGADHO CCCN(C)C[C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000584426885 357918863 /nfs/dbraw/zinc/91/88/63/357918863.db2.gz UYXDYXFCFDCJNI-HUUCEWRRSA-N 1 3 240.435 3.085 20 0 BGADHO CCCN(C)C[C@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000584426885 357918862 /nfs/dbraw/zinc/91/88/62/357918862.db2.gz UYXDYXFCFDCJNI-HUUCEWRRSA-N 1 3 240.435 3.085 20 0 BGADHO CCCN(C)C[C@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000584426886 357918920 /nfs/dbraw/zinc/91/89/20/357918920.db2.gz UYXDYXFCFDCJNI-LSDHHAIUSA-N 1 3 240.435 3.085 20 0 BGADHO CCCN(C)C[C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000584426886 357918917 /nfs/dbraw/zinc/91/89/17/357918917.db2.gz UYXDYXFCFDCJNI-LSDHHAIUSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000594725119 348108070 /nfs/dbraw/zinc/10/80/70/348108070.db2.gz ITYNNRCDPJBUSL-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CCN(CC)CCC[N@@H+](C)CCC(C)(C)C ZINC000602872585 349804190 /nfs/dbraw/zinc/80/41/90/349804190.db2.gz ZDMXTBCZASHRSP-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CCN(CC)CCC[N@H+](C)CCC(C)(C)C ZINC000602872585 349804187 /nfs/dbraw/zinc/80/41/87/349804187.db2.gz ZDMXTBCZASHRSP-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CC[NH+](CC)CCCN(C)CCC(C)(C)C ZINC000602872585 349804184 /nfs/dbraw/zinc/80/41/84/349804184.db2.gz ZDMXTBCZASHRSP-UHFFFAOYSA-N 1 3 228.424 3.086 20 0 BGADHO CN1CCCC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000623655741 368991131 /nfs/dbraw/zinc/99/11/31/368991131.db2.gz DJOMVKMCMNNINF-AWEZNQCLSA-N 1 3 238.419 3.031 20 0 BGADHO CN1CCCC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000623655742 368991649 /nfs/dbraw/zinc/99/16/49/368991649.db2.gz DJOMVKMCMNNINF-CQSZACIVSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@H](NCCC[NH+](C)C)c1cc(C)ccc1C ZINC000623849393 343691468 /nfs/dbraw/zinc/69/14/68/343691468.db2.gz DOJYZEJEQYPWOP-INIZCTEOSA-N 1 3 248.414 3.296 20 0 BGADHO CC[C@@H](NCCC[NH+](C)C)c1cc(C)ccc1C ZINC000623849394 343691404 /nfs/dbraw/zinc/69/14/04/343691404.db2.gz DOJYZEJEQYPWOP-MRXNPFEDSA-N 1 3 248.414 3.296 20 0 BGADHO Cc1cccc([C@@H](NCCC[NH+](C)C)C(C)C)c1 ZINC000623849440 371125473 /nfs/dbraw/zinc/12/54/73/371125473.db2.gz FVFQBIQKXMRIAI-INIZCTEOSA-N 1 3 248.414 3.233 20 0 BGADHO Cc1cccc([C@H](NCCC[NH+](C)C)C(C)C)c1 ZINC000623849441 371127153 /nfs/dbraw/zinc/12/71/53/371127153.db2.gz FVFQBIQKXMRIAI-MRXNPFEDSA-N 1 3 248.414 3.233 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119552 371319516 /nfs/dbraw/zinc/31/95/16/371319516.db2.gz DYTRBBFUNXVFIG-CABCVRRESA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119553 371320229 /nfs/dbraw/zinc/32/02/29/371320229.db2.gz DYTRBBFUNXVFIG-GJZGRUSLSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119554 371320143 /nfs/dbraw/zinc/32/01/43/371320143.db2.gz DYTRBBFUNXVFIG-HUUCEWRRSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119555 371319949 /nfs/dbraw/zinc/31/99/49/371319949.db2.gz DYTRBBFUNXVFIG-LSDHHAIUSA-N 1 3 240.435 3.133 20 0 BGADHO CCCC(CCC)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119782 346654738 /nfs/dbraw/zinc/65/47/38/346654738.db2.gz JOGRANRJEKXERM-AWEZNQCLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC(CCC)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119783 346654802 /nfs/dbraw/zinc/65/48/02/346654802.db2.gz JOGRANRJEKXERM-CQSZACIVSA-N 1 3 240.435 3.277 20 0 BGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1 ZINC000624120388 371321819 /nfs/dbraw/zinc/32/18/19/371321819.db2.gz YAZVZDLNKZRSFK-CABCVRRESA-N 1 3 246.398 3.069 20 0 BGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1 ZINC000624120389 371321339 /nfs/dbraw/zinc/32/13/39/371321339.db2.gz YAZVZDLNKZRSFK-GJZGRUSLSA-N 1 3 246.398 3.069 20 0 BGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1 ZINC000624120390 371321897 /nfs/dbraw/zinc/32/18/97/371321897.db2.gz YAZVZDLNKZRSFK-HUUCEWRRSA-N 1 3 246.398 3.069 20 0 BGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1 ZINC000624120391 371321365 /nfs/dbraw/zinc/32/13/65/371321365.db2.gz YAZVZDLNKZRSFK-LSDHHAIUSA-N 1 3 246.398 3.069 20 0 BGADHO CCCC[C@H](CC)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121273 397800856 /nfs/dbraw/zinc/80/08/56/397800856.db2.gz SCPULRZMSSVXTL-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@H](CC)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121274 397801342 /nfs/dbraw/zinc/80/13/42/397801342.db2.gz SCPULRZMSSVXTL-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@@H](CC)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121275 397801106 /nfs/dbraw/zinc/80/11/06/397801106.db2.gz SCPULRZMSSVXTL-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCCC[C@@H](CC)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121276 346697923 /nfs/dbraw/zinc/69/79/23/346697923.db2.gz SCPULRZMSSVXTL-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123714 371324488 /nfs/dbraw/zinc/32/44/88/371324488.db2.gz RJEBDIYDTMDHPG-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123715 371324775 /nfs/dbraw/zinc/32/47/75/371324775.db2.gz RJEBDIYDTMDHPG-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123716 371324125 /nfs/dbraw/zinc/32/41/25/371324125.db2.gz RJEBDIYDTMDHPG-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123717 371324704 /nfs/dbraw/zinc/32/47/04/371324704.db2.gz RJEBDIYDTMDHPG-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000629385898 361033356 /nfs/dbraw/zinc/03/33/56/361033356.db2.gz CHWMCWRFQQUUQH-KBPBESRZSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000629385899 361033324 /nfs/dbraw/zinc/03/33/24/361033324.db2.gz CHWMCWRFQQUUQH-KGLIPLIRSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000629385900 361033508 /nfs/dbraw/zinc/03/35/08/361033508.db2.gz CHWMCWRFQQUUQH-UONOGXRCSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000629385901 361033688 /nfs/dbraw/zinc/03/36/88/361033688.db2.gz CHWMCWRFQQUUQH-ZIAGYGMSSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CCC1CCCC1 ZINC000629389292 361036926 /nfs/dbraw/zinc/03/69/26/361036926.db2.gz VRXBLFYSIPVEKM-AEGPPILISA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CCC1CCCC1 ZINC000629389293 361036865 /nfs/dbraw/zinc/03/68/65/361036865.db2.gz VRXBLFYSIPVEKM-VHDGCEQUSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](CCC1CCCCC1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629408773 361059681 /nfs/dbraw/zinc/05/96/81/361059681.db2.gz ZQYQXQNXZDWZPZ-KCQAQPDRSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629408774 361059729 /nfs/dbraw/zinc/05/97/29/361059729.db2.gz ZQYQXQNXZDWZPZ-VNHYZAJKSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](CCC1CCCC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410575 361060457 /nfs/dbraw/zinc/06/04/57/361060457.db2.gz HATBYSXHJRAGMS-IPYPFGDCSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](CCC1CCCC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410576 361060418 /nfs/dbraw/zinc/06/04/18/361060418.db2.gz HATBYSXHJRAGMS-NFAWXSAZSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](CCC1CCCC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410577 361060136 /nfs/dbraw/zinc/06/01/36/361060136.db2.gz HATBYSXHJRAGMS-UMVBOHGHSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](CCC1CCCC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410578 361060100 /nfs/dbraw/zinc/06/01/00/361060100.db2.gz HATBYSXHJRAGMS-VNHYZAJKSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](C)CCCN1CCC[C@@H](C[NH2+]C)C1 ZINC000629508691 361102153 /nfs/dbraw/zinc/10/21/53/361102153.db2.gz ZDUMWXQDORLJMP-CABCVRRESA-N 1 3 240.435 3.134 20 0 BGADHO CCC[C@H](C)CCCN1CCC[C@@H](C[NH2+]C)C1 ZINC000629508692 361102474 /nfs/dbraw/zinc/10/24/74/361102474.db2.gz ZDUMWXQDORLJMP-GJZGRUSLSA-N 1 3 240.435 3.134 20 0 BGADHO CCC[C@@H](C)CCCN1CCC[C@H](C[NH2+]C)C1 ZINC000629508693 361102369 /nfs/dbraw/zinc/10/23/69/361102369.db2.gz ZDUMWXQDORLJMP-HUUCEWRRSA-N 1 3 240.435 3.134 20 0 BGADHO CCC[C@H](C)CCCN1CCC[C@H](C[NH2+]C)C1 ZINC000629508694 361102167 /nfs/dbraw/zinc/10/21/67/361102167.db2.gz ZDUMWXQDORLJMP-LSDHHAIUSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000629517593 361114338 /nfs/dbraw/zinc/11/43/38/361114338.db2.gz WIUJDBDRPCMTFB-BFHYXJOUSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000629517594 361114407 /nfs/dbraw/zinc/11/44/07/361114407.db2.gz WIUJDBDRPCMTFB-IHRRRGAJSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000629517595 361113806 /nfs/dbraw/zinc/11/38/06/361113806.db2.gz WIUJDBDRPCMTFB-MELADBBJSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000629517596 361113866 /nfs/dbraw/zinc/11/38/66/361113866.db2.gz WIUJDBDRPCMTFB-MJBXVCDLSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](CCc1ccccc1)[NH2+][C@H](C)C[C@@H](C)N ZINC000629518395 361117636 /nfs/dbraw/zinc/11/76/36/361117636.db2.gz IPDAIRFPOXRRPM-IIAWOOMASA-N 1 3 248.414 3.113 20 0 BGADHO CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[C@@H](C)N ZINC000629518396 361117627 /nfs/dbraw/zinc/11/76/27/361117627.db2.gz IPDAIRFPOXRRPM-IJEWVQPXSA-N 1 3 248.414 3.113 20 0 BGADHO CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000629518397 361117856 /nfs/dbraw/zinc/11/78/56/361117856.db2.gz IPDAIRFPOXRRPM-OFQRWUPVSA-N 1 3 248.414 3.113 20 0 BGADHO CC[C@H](CCc1ccccc1)[NH2+][C@H](C)C[C@H](C)N ZINC000629518398 361117862 /nfs/dbraw/zinc/11/78/62/361117862.db2.gz IPDAIRFPOXRRPM-SQWLQELKSA-N 1 3 248.414 3.113 20 0 BGADHO CCC[C@@H](C)CCCN1CCC(C)([NH3+])CC1 ZINC000629527134 361129592 /nfs/dbraw/zinc/12/95/92/361129592.db2.gz LCWJBLDFEMIVJQ-CYBMUJFWSA-N 1 3 226.408 3.016 20 0 BGADHO CCC[C@H](C)CCCN1CCC(C)([NH3+])CC1 ZINC000629527135 361129578 /nfs/dbraw/zinc/12/95/78/361129578.db2.gz LCWJBLDFEMIVJQ-ZDUSSCGKSA-N 1 3 226.408 3.016 20 0 BGADHO CCC[C@@H]([NH2+][C@@H]1CCN[C@H]1CC)C1CCCC1 ZINC000629527890 361135514 /nfs/dbraw/zinc/13/55/14/361135514.db2.gz IHYJPOWDCGDEEM-RRFJBIMHSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)C1CCCC1 ZINC000629527890 361135513 /nfs/dbraw/zinc/13/55/13/361135513.db2.gz IHYJPOWDCGDEEM-RRFJBIMHSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)C1CCCC1 ZINC000629527891 361135063 /nfs/dbraw/zinc/13/50/63/361135063.db2.gz IHYJPOWDCGDEEM-SOUVJXGZSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)C1CCCC1 ZINC000629527891 361135059 /nfs/dbraw/zinc/13/50/59/361135059.db2.gz IHYJPOWDCGDEEM-SOUVJXGZSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](C)CCC[NH2+][C@H]1CCNCC1(C)C ZINC000629536845 361399965 /nfs/dbraw/zinc/39/99/65/361399965.db2.gz LNGQEWFSIRKGOF-KBPBESRZSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@@H](C)CCC[NH2+][C@H]1CCNCC1(C)C ZINC000629536888 361400007 /nfs/dbraw/zinc/40/00/07/361400007.db2.gz LNGQEWFSIRKGOF-KGLIPLIRSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@H](C)CCC[NH2+][C@@H]1CCNCC1(C)C ZINC000629536891 361399628 /nfs/dbraw/zinc/39/96/28/361399628.db2.gz LNGQEWFSIRKGOF-UONOGXRCSA-N 1 3 240.435 3.181 20 0 BGADHO CCC[C@@H](C)CCC[NH2+][C@@H]1CCNCC1(C)C ZINC000629536895 361399799 /nfs/dbraw/zinc/39/97/99/361399799.db2.gz LNGQEWFSIRKGOF-ZIAGYGMSSA-N 1 3 240.435 3.181 20 0 BGADHO Cc1cccc([C@H](N[C@H](C)C[C@@H](C)[NH3+])C(C)C)c1 ZINC000629541689 361416654 /nfs/dbraw/zinc/41/66/54/361416654.db2.gz ZLCFPUALHAWRJF-IIAWOOMASA-N 1 3 248.414 3.408 20 0 BGADHO Cc1cccc([C@H](N[C@@H](C)C[C@@H](C)[NH3+])C(C)C)c1 ZINC000629541691 361416729 /nfs/dbraw/zinc/41/67/29/361416729.db2.gz ZLCFPUALHAWRJF-IJEWVQPXSA-N 1 3 248.414 3.408 20 0 BGADHO Cc1cccc([C@H](N[C@@H](C)C[C@H](C)[NH3+])C(C)C)c1 ZINC000629541692 361416638 /nfs/dbraw/zinc/41/66/38/361416638.db2.gz ZLCFPUALHAWRJF-OFQRWUPVSA-N 1 3 248.414 3.408 20 0 BGADHO Cc1cccc([C@H](N[C@H](C)C[C@H](C)[NH3+])C(C)C)c1 ZINC000629541693 361416840 /nfs/dbraw/zinc/41/68/40/361416840.db2.gz ZLCFPUALHAWRJF-SQWLQELKSA-N 1 3 248.414 3.408 20 0 BGADHO CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1cc(C)ccc1C ZINC000629545122 361424430 /nfs/dbraw/zinc/42/44/30/361424430.db2.gz BOOWDABSCAGCJM-DZKIICNBSA-N 1 3 248.414 3.470 20 0 BGADHO CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1cc(C)ccc1C ZINC000629545126 361424600 /nfs/dbraw/zinc/42/46/00/361424600.db2.gz BOOWDABSCAGCJM-FMKPAKJESA-N 1 3 248.414 3.470 20 0 BGADHO CC[C@H](N[C@H](C)C[C@H](C)[NH3+])c1cc(C)ccc1C ZINC000629545127 361424721 /nfs/dbraw/zinc/42/47/21/361424721.db2.gz BOOWDABSCAGCJM-LZWOXQAQSA-N 1 3 248.414 3.470 20 0 BGADHO CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1cc(C)ccc1C ZINC000629545128 361424625 /nfs/dbraw/zinc/42/46/25/361424625.db2.gz BOOWDABSCAGCJM-YCPHGPKFSA-N 1 3 248.414 3.470 20 0 BGADHO CCC[C@H](C)CCC[N@H+]1CC[C@@H](N)C[C@H]1C ZINC000629548578 361434015 /nfs/dbraw/zinc/43/40/15/361434015.db2.gz OBLPWMWTMCNFCH-BFHYXJOUSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCC[N@@H+]1CC[C@@H](N)C[C@H]1C ZINC000629548578 361434011 /nfs/dbraw/zinc/43/40/11/361434011.db2.gz OBLPWMWTMCNFCH-BFHYXJOUSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000629548578 361434008 /nfs/dbraw/zinc/43/40/08/361434008.db2.gz OBLPWMWTMCNFCH-BFHYXJOUSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCC[N@H+]1CC[C@H](N)C[C@@H]1C ZINC000629548595 361434127 /nfs/dbraw/zinc/43/41/27/361434127.db2.gz OBLPWMWTMCNFCH-IHRRRGAJSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCC[N@@H+]1CC[C@H](N)C[C@@H]1C ZINC000629548595 361434125 /nfs/dbraw/zinc/43/41/25/361434125.db2.gz OBLPWMWTMCNFCH-IHRRRGAJSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000629548595 361434121 /nfs/dbraw/zinc/43/41/21/361434121.db2.gz OBLPWMWTMCNFCH-IHRRRGAJSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCC[N@H+]1CC[C@@H](N)C[C@@H]1C ZINC000629548597 361434589 /nfs/dbraw/zinc/43/45/89/361434589.db2.gz OBLPWMWTMCNFCH-MELADBBJSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCC[N@@H+]1CC[C@@H](N)C[C@@H]1C ZINC000629548597 361434586 /nfs/dbraw/zinc/43/45/86/361434586.db2.gz OBLPWMWTMCNFCH-MELADBBJSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000629548597 361434585 /nfs/dbraw/zinc/43/45/85/361434585.db2.gz OBLPWMWTMCNFCH-MELADBBJSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCC[N@H+]1CC[C@H](N)C[C@H]1C ZINC000629548600 361434110 /nfs/dbraw/zinc/43/41/10/361434110.db2.gz OBLPWMWTMCNFCH-MJBXVCDLSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCC[N@@H+]1CC[C@H](N)C[C@H]1C ZINC000629548600 361434107 /nfs/dbraw/zinc/43/41/07/361434107.db2.gz OBLPWMWTMCNFCH-MJBXVCDLSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H](C)CCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000629548600 361434103 /nfs/dbraw/zinc/43/41/03/361434103.db2.gz OBLPWMWTMCNFCH-MJBXVCDLSA-N 1 3 226.408 3.014 20 0 BGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCCCC1 ZINC000629549665 361441908 /nfs/dbraw/zinc/44/19/08/361441908.db2.gz YBZRCNWQUCJMGW-CFVMTHIKSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@H](N[C@@H]1CC[NH2+][C@H]1C)C1CCCCC1 ZINC000629549665 361441904 /nfs/dbraw/zinc/44/19/04/361441904.db2.gz YBZRCNWQUCJMGW-CFVMTHIKSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCCCC1 ZINC000629549667 361441962 /nfs/dbraw/zinc/44/19/62/361441962.db2.gz YBZRCNWQUCJMGW-NWANDNLSSA-N 1 3 238.419 3.075 20 0 BGADHO CCC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)C1CCCCC1 ZINC000629549667 361441958 /nfs/dbraw/zinc/44/19/58/361441958.db2.gz YBZRCNWQUCJMGW-NWANDNLSSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)(NCCC[NH3+])c1ccc2ccccc2c1 ZINC000629666043 361587371 /nfs/dbraw/zinc/58/73/71/361587371.db2.gz LDRMVFONPXEUMM-UHFFFAOYSA-N 1 3 242.366 3.013 20 0 BGADHO CCC(C)(C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631206247 360986289 /nfs/dbraw/zinc/98/62/89/360986289.db2.gz JINIDXRBTODPPU-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631206247 360986285 /nfs/dbraw/zinc/98/62/85/360986285.db2.gz JINIDXRBTODPPU-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000631206247 360986284 /nfs/dbraw/zinc/98/62/84/360986284.db2.gz JINIDXRBTODPPU-KBPBESRZSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631206251 360986972 /nfs/dbraw/zinc/98/69/72/360986972.db2.gz JINIDXRBTODPPU-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631206251 360986966 /nfs/dbraw/zinc/98/69/66/360986966.db2.gz JINIDXRBTODPPU-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000631206251 360986963 /nfs/dbraw/zinc/98/69/63/360986963.db2.gz JINIDXRBTODPPU-KGLIPLIRSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631206253 360986577 /nfs/dbraw/zinc/98/65/77/360986577.db2.gz JINIDXRBTODPPU-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631206253 360986574 /nfs/dbraw/zinc/98/65/74/360986574.db2.gz JINIDXRBTODPPU-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000631206253 360986568 /nfs/dbraw/zinc/98/65/68/360986568.db2.gz JINIDXRBTODPPU-UONOGXRCSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631206255 360986251 /nfs/dbraw/zinc/98/62/51/360986251.db2.gz JINIDXRBTODPPU-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631206255 360986249 /nfs/dbraw/zinc/98/62/49/360986249.db2.gz JINIDXRBTODPPU-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(C)(C)CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000631206255 360986248 /nfs/dbraw/zinc/98/62/48/360986248.db2.gz JINIDXRBTODPPU-ZIAGYGMSSA-N 1 3 238.419 3.029 20 0 BGADHO CC1(C)CNCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000634732541 344107391 /nfs/dbraw/zinc/10/73/91/344107391.db2.gz ISDLUXBKKGAPDV-AWEZNQCLSA-N 1 3 238.419 3.077 20 0 BGADHO CC1(C)CNCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000634732542 344108421 /nfs/dbraw/zinc/10/84/21/344108421.db2.gz ISDLUXBKKGAPDV-CQSZACIVSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)C(C)(C)C ZINC000634733683 344113743 /nfs/dbraw/zinc/11/37/43/344113743.db2.gz LBHWXSJSYGZTNG-CHWSQXEVSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@H](C[NH2+][C@H]1CCNCC(C)(C)C1)C(C)(C)C ZINC000634733684 344113981 /nfs/dbraw/zinc/11/39/81/344113981.db2.gz LBHWXSJSYGZTNG-OLZOCXBDSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)C(C)(C)C ZINC000634733685 344113899 /nfs/dbraw/zinc/11/38/99/344113899.db2.gz LBHWXSJSYGZTNG-QWHCGFSZSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@@H](C[NH2+][C@H]1CCNCC(C)(C)C1)C(C)(C)C ZINC000634733686 344114057 /nfs/dbraw/zinc/11/40/57/344114057.db2.gz LBHWXSJSYGZTNG-STQMWFEESA-N 1 3 240.435 3.036 20 0 BGADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCCC23CC3)c2ccccc21 ZINC000635003213 345205672 /nfs/dbraw/zinc/20/56/72/345205672.db2.gz HAJHYZICYNNANN-ILXRZTDVSA-N 1 3 242.366 3.054 20 0 BGADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCCC23CC3)c2ccccc21 ZINC000635003214 345205753 /nfs/dbraw/zinc/20/57/53/345205753.db2.gz HAJHYZICYNNANN-KFWWJZLASA-N 1 3 242.366 3.054 20 0 BGADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCC23CC3)c2ccccc21 ZINC000635003215 345205701 /nfs/dbraw/zinc/20/57/01/345205701.db2.gz HAJHYZICYNNANN-QLFBSQMISA-N 1 3 242.366 3.054 20 0 BGADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCC23CC3)c2ccccc21 ZINC000635003216 345205383 /nfs/dbraw/zinc/20/53/83/345205383.db2.gz HAJHYZICYNNANN-RBSFLKMASA-N 1 3 242.366 3.054 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000635004507 345207700 /nfs/dbraw/zinc/20/77/00/345207700.db2.gz PLRGHSVPTCLZEF-OCVGTWLNSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000635004508 345207853 /nfs/dbraw/zinc/20/78/53/345207853.db2.gz PLRGHSVPTCLZEF-RRCSTGOVSA-N 1 3 246.398 3.038 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000635004509 345207886 /nfs/dbraw/zinc/20/78/86/345207886.db2.gz PLRGHSVPTCLZEF-SJXGUFTOSA-N 1 3 246.398 3.038 20 0 BGADHO CCC[C@H](CC)[NH2+]Cc1cccc2c1CCNC2 ZINC000635007628 345214860 /nfs/dbraw/zinc/21/48/60/345214860.db2.gz FNCKNAPGBTURKA-HNNXBMFYSA-N 1 3 246.398 3.001 20 0 BGADHO CCCC[C@@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635007646 345215411 /nfs/dbraw/zinc/21/54/11/345215411.db2.gz WTLZNXCJYAAHGH-GDBMZVCRSA-N 1 3 248.414 3.115 20 0 BGADHO CCCC[C@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635007647 345215088 /nfs/dbraw/zinc/21/50/88/345215088.db2.gz WTLZNXCJYAAHGH-GOEBONIOSA-N 1 3 248.414 3.115 20 0 BGADHO CCCC[C@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635007648 345215035 /nfs/dbraw/zinc/21/50/35/345215035.db2.gz WTLZNXCJYAAHGH-HOCLYGCPSA-N 1 3 248.414 3.115 20 0 BGADHO CCCC[C@@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635007649 345215302 /nfs/dbraw/zinc/21/53/02/345215302.db2.gz WTLZNXCJYAAHGH-ZBFHGGJFSA-N 1 3 248.414 3.115 20 0 BGADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000635007764 345206352 /nfs/dbraw/zinc/20/63/52/345206352.db2.gz BHFKTCYUNMIEGR-DZGCQCFKSA-N 1 3 246.398 3.115 20 0 BGADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000635007768 345206225 /nfs/dbraw/zinc/20/62/25/345206225.db2.gz BHFKTCYUNMIEGR-HIFRSBDPSA-N 1 3 246.398 3.115 20 0 BGADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000635007769 345206213 /nfs/dbraw/zinc/20/62/13/345206213.db2.gz BHFKTCYUNMIEGR-UKRRQHHQSA-N 1 3 246.398 3.115 20 0 BGADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000635007771 345206525 /nfs/dbraw/zinc/20/65/25/345206525.db2.gz BHFKTCYUNMIEGR-ZFWWWQNUSA-N 1 3 246.398 3.115 20 0 BGADHO CCC[C@@H](CC)[NH2+]Cc1cccc2c1CCNC2 ZINC000635008591 345216935 /nfs/dbraw/zinc/21/69/35/345216935.db2.gz FNCKNAPGBTURKA-OAHLLOKOSA-N 1 3 246.398 3.001 20 0 BGADHO CCC[C@H](CC)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635008722 345216881 /nfs/dbraw/zinc/21/68/81/345216881.db2.gz SQENKUGECVCVLI-CVEARBPZSA-N 1 3 248.414 3.115 20 0 BGADHO CCC[C@H](CC)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635008723 345216510 /nfs/dbraw/zinc/21/65/10/345216510.db2.gz SQENKUGECVCVLI-HOTGVXAUSA-N 1 3 248.414 3.115 20 0 BGADHO CCC[C@@H](CC)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635008724 345216949 /nfs/dbraw/zinc/21/69/49/345216949.db2.gz SQENKUGECVCVLI-HZPDHXFCSA-N 1 3 248.414 3.115 20 0 BGADHO CCC[C@@H](CC)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635008725 345216793 /nfs/dbraw/zinc/21/67/93/345216793.db2.gz SQENKUGECVCVLI-JKSUJKDBSA-N 1 3 248.414 3.115 20 0 BGADHO C[C@H](CC1CCC1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000635011477 345213953 /nfs/dbraw/zinc/21/39/53/345213953.db2.gz FWXAIADLXMLRFA-HFBAOOFYSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](CC1CCC1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000635011480 345213527 /nfs/dbraw/zinc/21/35/27/345213527.db2.gz FWXAIADLXMLRFA-LYRGGWFBSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](CC1CCC1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000635011482 345213427 /nfs/dbraw/zinc/21/34/27/345213427.db2.gz FWXAIADLXMLRFA-RLCCDNCMSA-N 1 3 244.382 3.300 20 0 BGADHO C[C@H](CC1CCC1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000635011483 345213808 /nfs/dbraw/zinc/21/38/08/345213808.db2.gz FWXAIADLXMLRFA-XFBWCDHKSA-N 1 3 244.382 3.300 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012821 345215029 /nfs/dbraw/zinc/21/50/29/345215029.db2.gz VUVCGYXJCPLYCE-CHWSQXEVSA-N 1 3 240.435 3.179 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012822 345214883 /nfs/dbraw/zinc/21/48/83/345214883.db2.gz VUVCGYXJCPLYCE-OLZOCXBDSA-N 1 3 240.435 3.179 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012823 345214991 /nfs/dbraw/zinc/21/49/91/345214991.db2.gz VUVCGYXJCPLYCE-QWHCGFSZSA-N 1 3 240.435 3.179 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012824 345215129 /nfs/dbraw/zinc/21/51/29/345215129.db2.gz VUVCGYXJCPLYCE-STQMWFEESA-N 1 3 240.435 3.179 20 0 BGADHO CCC1(N(C)C)CC[NH+](CCCC(C)C)CC1 ZINC000639378555 355912698 /nfs/dbraw/zinc/91/26/98/355912698.db2.gz IHFWQDHJUJNEFI-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCC1(N(C)C)CC[NH+](CCC(C)(C)C)CC1 ZINC000639379897 355916847 /nfs/dbraw/zinc/91/68/47/355916847.db2.gz SHXLIFIYGLOLET-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCC1([NH+](C)C)CCN(CCC(C)(C)C)CC1 ZINC000639379897 355916843 /nfs/dbraw/zinc/91/68/43/355916843.db2.gz SHXLIFIYGLOLET-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO CCC[C@H](C)[NH+]1CCC(C)(N2CCCC2)CC1 ZINC000639983097 358026603 /nfs/dbraw/zinc/02/66/03/358026603.db2.gz AJFVMOONTLPTJQ-AWEZNQCLSA-N 1 3 238.419 3.125 20 0 BGADHO CCC[C@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983097 358026600 /nfs/dbraw/zinc/02/66/00/358026600.db2.gz AJFVMOONTLPTJQ-AWEZNQCLSA-N 1 3 238.419 3.125 20 0 BGADHO CCC[C@@H](C)[NH+]1CCC(C)(N2CCCC2)CC1 ZINC000639983098 358026260 /nfs/dbraw/zinc/02/62/60/358026260.db2.gz AJFVMOONTLPTJQ-CQSZACIVSA-N 1 3 238.419 3.125 20 0 BGADHO CCC[C@@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983098 358026257 /nfs/dbraw/zinc/02/62/57/358026257.db2.gz AJFVMOONTLPTJQ-CQSZACIVSA-N 1 3 238.419 3.125 20 0 BGADHO CCC1(N(C)C)CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000640015029 358068344 /nfs/dbraw/zinc/06/83/44/358068344.db2.gz CSKSOIVBJHOJHQ-AWEZNQCLSA-N 1 3 240.435 3.227 20 0 BGADHO CCC1([NH+](C)C)CCN([C@@H](C)CC(C)C)CC1 ZINC000640015029 358068342 /nfs/dbraw/zinc/06/83/42/358068342.db2.gz CSKSOIVBJHOJHQ-AWEZNQCLSA-N 1 3 240.435 3.227 20 0 BGADHO CCC1(N(C)C)CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000640015033 358068214 /nfs/dbraw/zinc/06/82/14/358068214.db2.gz CSKSOIVBJHOJHQ-CQSZACIVSA-N 1 3 240.435 3.227 20 0 BGADHO CCC1([NH+](C)C)CCN([C@H](C)CC(C)C)CC1 ZINC000640015033 358068212 /nfs/dbraw/zinc/06/82/12/358068212.db2.gz CSKSOIVBJHOJHQ-CQSZACIVSA-N 1 3 240.435 3.227 20 0 BGADHO CC[C@@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCCCC1 ZINC000643462348 387306142 /nfs/dbraw/zinc/30/61/42/387306142.db2.gz CJSYTYPGAPRYBF-BPLDGKMQSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000643462348 387306137 /nfs/dbraw/zinc/30/61/37/387306137.db2.gz CJSYTYPGAPRYBF-BPLDGKMQSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCCCC1 ZINC000643462349 387306757 /nfs/dbraw/zinc/30/67/57/387306757.db2.gz CJSYTYPGAPRYBF-CFVMTHIKSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000643462349 387306753 /nfs/dbraw/zinc/30/67/53/387306753.db2.gz CJSYTYPGAPRYBF-CFVMTHIKSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCCCC1 ZINC000643462350 387306848 /nfs/dbraw/zinc/30/68/48/387306848.db2.gz CJSYTYPGAPRYBF-NWANDNLSSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000643462350 387306841 /nfs/dbraw/zinc/30/68/41/387306841.db2.gz CJSYTYPGAPRYBF-NWANDNLSSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCCCC1 ZINC000643462351 387306617 /nfs/dbraw/zinc/30/66/17/387306617.db2.gz CJSYTYPGAPRYBF-YUELXQCFSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000643462351 387306612 /nfs/dbraw/zinc/30/66/12/387306612.db2.gz CJSYTYPGAPRYBF-YUELXQCFSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1CCCCC1 ZINC000643462370 387306347 /nfs/dbraw/zinc/30/63/47/387306347.db2.gz LKULFSWRBKPLQB-BZPMIXESSA-N 1 3 226.408 3.061 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1CCCCC1 ZINC000643462371 387306918 /nfs/dbraw/zinc/30/69/18/387306918.db2.gz LKULFSWRBKPLQB-DYEKYZERSA-N 1 3 226.408 3.061 20 0 BGADHO CC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1CCCCC1 ZINC000643462372 387306744 /nfs/dbraw/zinc/30/67/44/387306744.db2.gz LKULFSWRBKPLQB-OBJOEFQTSA-N 1 3 226.408 3.061 20 0 BGADHO CC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1CCCCC1 ZINC000643462373 387306823 /nfs/dbraw/zinc/30/68/23/387306823.db2.gz LKULFSWRBKPLQB-SCRDCRAPSA-N 1 3 226.408 3.061 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463551 387350687 /nfs/dbraw/zinc/35/06/87/387350687.db2.gz DIKGKMIOSYIDKC-KBPBESRZSA-N 1 3 248.414 3.070 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463552 387350933 /nfs/dbraw/zinc/35/09/33/387350933.db2.gz DIKGKMIOSYIDKC-KGLIPLIRSA-N 1 3 248.414 3.070 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463553 387350832 /nfs/dbraw/zinc/35/08/32/387350832.db2.gz DIKGKMIOSYIDKC-UONOGXRCSA-N 1 3 248.414 3.070 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463554 387349335 /nfs/dbraw/zinc/34/93/35/387349335.db2.gz DIKGKMIOSYIDKC-ZIAGYGMSSA-N 1 3 248.414 3.070 20 0 BGADHO NCCC[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000643496771 387219333 /nfs/dbraw/zinc/21/93/33/387219333.db2.gz GDBVCQNQTNNDTE-UHFFFAOYSA-N 1 3 238.419 3.064 20 0 BGADHO CC[C@H]([NH2+]CCCN)c1cccc2ccccc21 ZINC000643496818 387220199 /nfs/dbraw/zinc/22/01/99/387220199.db2.gz WKRNRURBTSVYOV-INIZCTEOSA-N 1 3 242.366 3.229 20 0 BGADHO CC[C@H](NCCC[NH3+])c1cccc2ccccc21 ZINC000643496818 387220192 /nfs/dbraw/zinc/22/01/92/387220192.db2.gz WKRNRURBTSVYOV-INIZCTEOSA-N 1 3 242.366 3.229 20 0 BGADHO CC[C@@H]([NH2+]CCCN)c1cccc2ccccc21 ZINC000643496819 387219592 /nfs/dbraw/zinc/21/95/92/387219592.db2.gz WKRNRURBTSVYOV-MRXNPFEDSA-N 1 3 242.366 3.229 20 0 BGADHO CC[C@@H](NCCC[NH3+])c1cccc2ccccc21 ZINC000643496819 387219588 /nfs/dbraw/zinc/21/95/88/387219588.db2.gz WKRNRURBTSVYOV-MRXNPFEDSA-N 1 3 242.366 3.229 20 0 BGADHO C[C@H](CCC1CCCCC1)NCC[NH2+]C1CC1 ZINC000643506416 387460598 /nfs/dbraw/zinc/46/05/98/387460598.db2.gz WDBCNHBNKGNRPP-CYBMUJFWSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H](CCC1CCCCC1)NCC[NH2+]C1CC1 ZINC000643506417 387460352 /nfs/dbraw/zinc/46/03/52/387460352.db2.gz WDBCNHBNKGNRPP-ZDUSSCGKSA-N 1 3 238.419 3.077 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+]CCCNC(C)C ZINC000643508113 387483522 /nfs/dbraw/zinc/48/35/22/387483522.db2.gz LEZGWLPLTNZMGC-AWEZNQCLSA-N 1 3 228.424 3.179 20 0 BGADHO CC(C)CCC[C@@H](C)[NH2+]CCCNC(C)C ZINC000643508114 387485056 /nfs/dbraw/zinc/48/50/56/387485056.db2.gz LEZGWLPLTNZMGC-CQSZACIVSA-N 1 3 228.424 3.179 20 0 BGADHO CC[C@@H](N[C@H](C)C[NH3+])c1cccc2ccccc21 ZINC000643519831 387663098 /nfs/dbraw/zinc/66/30/98/387663098.db2.gz OEFPBHMWYOLTHM-MLGOLLRUSA-N 1 3 242.366 3.228 20 0 BGADHO CC[C@H](N[C@H](C)C[NH3+])c1cccc2ccccc21 ZINC000643519832 387663126 /nfs/dbraw/zinc/66/31/26/387663126.db2.gz OEFPBHMWYOLTHM-WBMJQRKESA-N 1 3 242.366 3.228 20 0 BGADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C)c1 ZINC000643522711 387721708 /nfs/dbraw/zinc/72/17/08/387721708.db2.gz SEFTVMMBKLUJTR-CVEARBPZSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C)c1 ZINC000643522712 387722335 /nfs/dbraw/zinc/72/23/35/387722335.db2.gz SEFTVMMBKLUJTR-HOTGVXAUSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C)c1 ZINC000643522713 387722548 /nfs/dbraw/zinc/72/25/48/387722548.db2.gz SEFTVMMBKLUJTR-HZPDHXFCSA-N 1 3 246.398 3.178 20 0 BGADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C)c1 ZINC000643522714 387722090 /nfs/dbraw/zinc/72/20/90/387722090.db2.gz SEFTVMMBKLUJTR-JKSUJKDBSA-N 1 3 246.398 3.178 20 0 BGADHO CC(C)[C@H]([NH2+]C[C@@H](C)N)c1cc2ccccc2o1 ZINC000643527483 387766184 /nfs/dbraw/zinc/76/61/84/387766184.db2.gz NNOAQUGJMWWDGI-ABAIWWIYSA-N 1 3 246.354 3.067 20 0 BGADHO CC(C)[C@@H]([NH2+]C[C@@H](C)N)c1cc2ccccc2o1 ZINC000643527484 387766082 /nfs/dbraw/zinc/76/60/82/387766082.db2.gz NNOAQUGJMWWDGI-IAQYHMDHSA-N 1 3 246.354 3.067 20 0 BGADHO CC(C)[C@H]([NH2+]C[C@H](C)N)c1cc2ccccc2o1 ZINC000643527485 387765775 /nfs/dbraw/zinc/76/57/75/387765775.db2.gz NNOAQUGJMWWDGI-NHYWBVRUSA-N 1 3 246.354 3.067 20 0 BGADHO CC(C)[C@@H]([NH2+]C[C@H](C)N)c1cc2ccccc2o1 ZINC000643527486 387765237 /nfs/dbraw/zinc/76/52/37/387765237.db2.gz NNOAQUGJMWWDGI-XHDPSFHLSA-N 1 3 246.354 3.067 20 0 BGADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000643546531 384014777 /nfs/dbraw/zinc/01/47/77/384014777.db2.gz QHPYRRYQHAGRGY-DZGCQCFKSA-N 1 3 244.382 3.012 20 0 BGADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000643546532 384014508 /nfs/dbraw/zinc/01/45/08/384014508.db2.gz QHPYRRYQHAGRGY-HIFRSBDPSA-N 1 3 244.382 3.012 20 0 BGADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000643546533 384014288 /nfs/dbraw/zinc/01/42/88/384014288.db2.gz QHPYRRYQHAGRGY-UKRRQHHQSA-N 1 3 244.382 3.012 20 0 BGADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000643546534 384014074 /nfs/dbraw/zinc/01/40/74/384014074.db2.gz QHPYRRYQHAGRGY-ZFWWWQNUSA-N 1 3 244.382 3.012 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548635 384037847 /nfs/dbraw/zinc/03/78/47/384037847.db2.gz SOFHVBBKJSZYPQ-CHWSQXEVSA-N 1 3 238.419 3.075 20 0 BGADHO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548636 384038001 /nfs/dbraw/zinc/03/80/01/384038001.db2.gz SOFHVBBKJSZYPQ-OLZOCXBDSA-N 1 3 238.419 3.075 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548637 384038379 /nfs/dbraw/zinc/03/83/79/384038379.db2.gz SOFHVBBKJSZYPQ-QWHCGFSZSA-N 1 3 238.419 3.075 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548638 384037964 /nfs/dbraw/zinc/03/79/64/384037964.db2.gz SOFHVBBKJSZYPQ-STQMWFEESA-N 1 3 238.419 3.075 20 0 BGADHO COc1ccccc1C1([NH2+]C(C)C2CC2C)CC1 ZINC000647232492 384696896 /nfs/dbraw/zinc/69/68/96/384696896.db2.gz FMSRBGLDSMPMHC-JHJVBQTASA-N 1 3 245.366 3.318 20 0 BGADHO CCCC[C@@H](CC)CC[N@H+]1CC[C@@H](CNC)C1 ZINC000647493435 385314934 /nfs/dbraw/zinc/31/49/34/385314934.db2.gz QCLMDPAUSNFAHD-CABCVRRESA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@@H](CC)CC[N@@H+]1CC[C@@H](CNC)C1 ZINC000647493435 385314930 /nfs/dbraw/zinc/31/49/30/385314930.db2.gz QCLMDPAUSNFAHD-CABCVRRESA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@@H](CC)CCN1CC[C@@H](C[NH2+]C)C1 ZINC000647493435 385314927 /nfs/dbraw/zinc/31/49/27/385314927.db2.gz QCLMDPAUSNFAHD-CABCVRRESA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@H](CC)CC[N@H+]1CC[C@@H](CNC)C1 ZINC000647493436 385316302 /nfs/dbraw/zinc/31/63/02/385316302.db2.gz QCLMDPAUSNFAHD-GJZGRUSLSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@H](CC)CC[N@@H+]1CC[C@@H](CNC)C1 ZINC000647493436 385316299 /nfs/dbraw/zinc/31/62/99/385316299.db2.gz QCLMDPAUSNFAHD-GJZGRUSLSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@H](CC)CCN1CC[C@@H](C[NH2+]C)C1 ZINC000647493436 385316294 /nfs/dbraw/zinc/31/62/94/385316294.db2.gz QCLMDPAUSNFAHD-GJZGRUSLSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@@H](CC)CC[N@H+]1CC[C@H](CNC)C1 ZINC000647493437 385314789 /nfs/dbraw/zinc/31/47/89/385314789.db2.gz QCLMDPAUSNFAHD-HUUCEWRRSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@@H](CC)CC[N@@H+]1CC[C@H](CNC)C1 ZINC000647493437 385314787 /nfs/dbraw/zinc/31/47/87/385314787.db2.gz QCLMDPAUSNFAHD-HUUCEWRRSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@@H](CC)CCN1CC[C@H](C[NH2+]C)C1 ZINC000647493437 385314783 /nfs/dbraw/zinc/31/47/83/385314783.db2.gz QCLMDPAUSNFAHD-HUUCEWRRSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@H](CC)CC[N@H+]1CC[C@H](CNC)C1 ZINC000647493438 385316125 /nfs/dbraw/zinc/31/61/25/385316125.db2.gz QCLMDPAUSNFAHD-LSDHHAIUSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@H](CC)CC[N@@H+]1CC[C@H](CNC)C1 ZINC000647493438 385316122 /nfs/dbraw/zinc/31/61/22/385316122.db2.gz QCLMDPAUSNFAHD-LSDHHAIUSA-N 1 3 240.435 3.134 20 0 BGADHO CCCC[C@H](CC)CCN1CC[C@H](C[NH2+]C)C1 ZINC000647493438 385316115 /nfs/dbraw/zinc/31/61/15/385316115.db2.gz QCLMDPAUSNFAHD-LSDHHAIUSA-N 1 3 240.435 3.134 20 0 BGADHO CC1([NH3+])CCN(CCC2CCCCCC2)CC1 ZINC000647530785 384623267 /nfs/dbraw/zinc/62/32/67/384623267.db2.gz FNRGPKHFJAXXLO-UHFFFAOYSA-N 1 3 238.419 3.160 20 0 BGADHO CC1([NH3+])CCN(CCCC2CCCCC2)CC1 ZINC000647530799 384623342 /nfs/dbraw/zinc/62/33/42/384623342.db2.gz GRYGZYJUIQILGD-UHFFFAOYSA-N 1 3 238.419 3.160 20 0 BGADHO CC1(C)CCC[C@@H](CN2CCC(C)([NH3+])CC2)C1 ZINC000647531141 487610946 /nfs/dbraw/zinc/61/09/46/487610946.db2.gz DEWRENSFKDLUJP-CYBMUJFWSA-N 1 3 238.419 3.016 20 0 BGADHO CC1(C)CCC[C@@H](C[NH+]2CCC(C)(N)CC2)C1 ZINC000647531141 487610943 /nfs/dbraw/zinc/61/09/43/487610943.db2.gz DEWRENSFKDLUJP-CYBMUJFWSA-N 1 3 238.419 3.016 20 0 BGADHO CC1(C)CCC[C@H](CN2CCC(C)([NH3+])CC2)C1 ZINC000647531142 487610716 /nfs/dbraw/zinc/61/07/16/487610716.db2.gz DEWRENSFKDLUJP-ZDUSSCGKSA-N 1 3 238.419 3.016 20 0 BGADHO CC1(C)CCC[C@H](C[NH+]2CCC(C)(N)CC2)C1 ZINC000647531142 487610712 /nfs/dbraw/zinc/61/07/12/487610712.db2.gz DEWRENSFKDLUJP-ZDUSSCGKSA-N 1 3 238.419 3.016 20 0 BGADHO CC1(C)CCC(CN2CCC(C)([NH3+])CC2)CC1 ZINC000647531334 397779589 /nfs/dbraw/zinc/77/95/89/397779589.db2.gz PBASOHXUYYUMAL-UHFFFAOYSA-N 1 3 238.419 3.016 20 0 BGADHO Cc1cccc(C2(N[C@@H](C)C[C@H](C)[NH3+])CCC2)c1 ZINC000647802202 385835694 /nfs/dbraw/zinc/83/56/94/385835694.db2.gz GUKDQJDTJKYSMX-KBPBESRZSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1cccc(C2(N[C@@H](C)C[C@@H](C)[NH3+])CCC2)c1 ZINC000647802205 385835286 /nfs/dbraw/zinc/83/52/86/385835286.db2.gz GUKDQJDTJKYSMX-KGLIPLIRSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1cccc(C2(N[C@H](C)C[C@H](C)[NH3+])CCC2)c1 ZINC000647802207 385835041 /nfs/dbraw/zinc/83/50/41/385835041.db2.gz GUKDQJDTJKYSMX-UONOGXRCSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1cccc(C2(N[C@H](C)C[C@@H](C)[NH3+])CCC2)c1 ZINC000647802209 385835157 /nfs/dbraw/zinc/83/51/57/385835157.db2.gz GUKDQJDTJKYSMX-ZIAGYGMSSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1ccc(C2(N[C@@H](C)C[C@H](C)[NH3+])CCC2)cc1 ZINC000647804020 385840475 /nfs/dbraw/zinc/84/04/75/385840475.db2.gz ILQNSFKFLBSTMY-KBPBESRZSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1ccc(C2(N[C@@H](C)C[C@@H](C)[NH3+])CCC2)cc1 ZINC000647804021 385841362 /nfs/dbraw/zinc/84/13/62/385841362.db2.gz ILQNSFKFLBSTMY-KGLIPLIRSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1ccc(C2(N[C@H](C)C[C@H](C)[NH3+])CCC2)cc1 ZINC000647804022 385841094 /nfs/dbraw/zinc/84/10/94/385841094.db2.gz ILQNSFKFLBSTMY-UONOGXRCSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1ccc(C2(N[C@H](C)C[C@@H](C)[NH3+])CCC2)cc1 ZINC000647804023 385841464 /nfs/dbraw/zinc/84/14/64/385841464.db2.gz ILQNSFKFLBSTMY-ZIAGYGMSSA-N 1 3 246.398 3.090 20 0 BGADHO CC(C)(C)CCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814738 385867977 /nfs/dbraw/zinc/86/79/77/385867977.db2.gz CFCHTVYGKRVOFZ-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CC[C@H](c1ccccc1)N(CC)C[C@@H]1CC[NH2+]C1 ZINC000647878479 386159889 /nfs/dbraw/zinc/15/98/89/386159889.db2.gz KRYWOFHYECVRQT-GDBMZVCRSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@H](c1ccccc1)N(CC)C[C@H]1CC[NH2+]C1 ZINC000647878480 386160284 /nfs/dbraw/zinc/16/02/84/386160284.db2.gz KRYWOFHYECVRQT-GOEBONIOSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H](c1ccccc1)N(CC)C[C@H]1CC[NH2+]C1 ZINC000647878481 386160210 /nfs/dbraw/zinc/16/02/10/386160210.db2.gz KRYWOFHYECVRQT-HOCLYGCPSA-N 1 3 246.398 3.069 20 0 BGADHO CC[C@@H](c1ccccc1)N(CC)C[C@@H]1CC[NH2+]C1 ZINC000647878482 386159850 /nfs/dbraw/zinc/15/98/50/386159850.db2.gz KRYWOFHYECVRQT-ZBFHGGJFSA-N 1 3 246.398 3.069 20 0 BGADHO C[C@H]1CCC[C@@H](CCN2CCC(C)([NH3+])CC2)C1 ZINC000647924657 385961882 /nfs/dbraw/zinc/96/18/82/385961882.db2.gz APFXQIPIXPSZEQ-KBPBESRZSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1CCC[C@@H](CCN2CCC(C)([NH3+])CC2)C1 ZINC000647924658 385961129 /nfs/dbraw/zinc/96/11/29/385961129.db2.gz APFXQIPIXPSZEQ-KGLIPLIRSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@H]1CCC[C@H](CCN2CCC(C)([NH3+])CC2)C1 ZINC000647924659 385960703 /nfs/dbraw/zinc/96/07/03/385960703.db2.gz APFXQIPIXPSZEQ-UONOGXRCSA-N 1 3 238.419 3.016 20 0 BGADHO C[C@@H]1CCC[C@H](CCN2CCC(C)([NH3+])CC2)C1 ZINC000647924660 385961600 /nfs/dbraw/zinc/96/16/00/385961600.db2.gz APFXQIPIXPSZEQ-ZIAGYGMSSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1N ZINC000647936692 386546908 /nfs/dbraw/zinc/54/69/08/386546908.db2.gz JXTSSHIKEKDJMR-CABCVRRESA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@@H]1N ZINC000647936692 386546904 /nfs/dbraw/zinc/54/69/04/386546904.db2.gz JXTSSHIKEKDJMR-CABCVRRESA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1CN(CCCC2CCCC2)CC[C@@H]1[NH3+] ZINC000647936692 386546902 /nfs/dbraw/zinc/54/69/02/386546902.db2.gz JXTSSHIKEKDJMR-CABCVRRESA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1N ZINC000647936693 386546099 /nfs/dbraw/zinc/54/60/99/386546099.db2.gz JXTSSHIKEKDJMR-GJZGRUSLSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@H+](CCCC2CCCC2)CC[C@@H]1N ZINC000647936693 386546094 /nfs/dbraw/zinc/54/60/94/386546094.db2.gz JXTSSHIKEKDJMR-GJZGRUSLSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1CN(CCCC2CCCC2)CC[C@@H]1[NH3+] ZINC000647936693 386546088 /nfs/dbraw/zinc/54/60/88/386546088.db2.gz JXTSSHIKEKDJMR-GJZGRUSLSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1N ZINC000647936694 386546861 /nfs/dbraw/zinc/54/68/61/386546861.db2.gz JXTSSHIKEKDJMR-HUUCEWRRSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1N ZINC000647936694 386546858 /nfs/dbraw/zinc/54/68/58/386546858.db2.gz JXTSSHIKEKDJMR-HUUCEWRRSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@@H]1CN(CCCC2CCCC2)CC[C@H]1[NH3+] ZINC000647936694 386546855 /nfs/dbraw/zinc/54/68/55/386546855.db2.gz JXTSSHIKEKDJMR-HUUCEWRRSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1N ZINC000647936695 386546492 /nfs/dbraw/zinc/54/64/92/386546492.db2.gz JXTSSHIKEKDJMR-LSDHHAIUSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1N ZINC000647936695 386546486 /nfs/dbraw/zinc/54/64/86/386546486.db2.gz JXTSSHIKEKDJMR-LSDHHAIUSA-N 1 3 238.419 3.016 20 0 BGADHO CC[C@H]1CN(CCCC2CCCC2)CC[C@H]1[NH3+] ZINC000647936695 386546481 /nfs/dbraw/zinc/54/64/81/386546481.db2.gz JXTSSHIKEKDJMR-LSDHHAIUSA-N 1 3 238.419 3.016 20 0 BGADHO Cc1ccccc1C1(N[C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000650740001 410371075 /nfs/dbraw/zinc/37/10/75/410371075.db2.gz DQYHRDJHMQDPQY-KBPBESRZSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1ccccc1C1(N[C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000650740002 410372672 /nfs/dbraw/zinc/37/26/72/410372672.db2.gz DQYHRDJHMQDPQY-KGLIPLIRSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1ccccc1C1(N[C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000650740003 410371898 /nfs/dbraw/zinc/37/18/98/410371898.db2.gz DQYHRDJHMQDPQY-UONOGXRCSA-N 1 3 246.398 3.090 20 0 BGADHO Cc1ccccc1C1(N[C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000650740004 410371047 /nfs/dbraw/zinc/37/10/47/410371047.db2.gz DQYHRDJHMQDPQY-ZIAGYGMSSA-N 1 3 246.398 3.090 20 0 BGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2ccsc21 ZINC000650740158 410372074 /nfs/dbraw/zinc/37/20/74/410372074.db2.gz HTIPRJBDRNZOFL-GHMZBOCLSA-N 1 3 248.395 3.117 20 0 BGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2ccsc21 ZINC000650740159 410371522 /nfs/dbraw/zinc/37/15/22/410371522.db2.gz HTIPRJBDRNZOFL-MNOVXSKESA-N 1 3 248.395 3.117 20 0 BGADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2ccsc21 ZINC000650740160 410372690 /nfs/dbraw/zinc/37/26/90/410372690.db2.gz HTIPRJBDRNZOFL-QWRGUYRKSA-N 1 3 248.395 3.117 20 0 BGADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2ccsc21 ZINC000650740161 410371381 /nfs/dbraw/zinc/37/13/81/410371381.db2.gz HTIPRJBDRNZOFL-WDEREUQCSA-N 1 3 248.395 3.117 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000651191313 410854247 /nfs/dbraw/zinc/85/42/47/410854247.db2.gz VESBDQKPMRSOEY-BFHYXJOUSA-N 1 3 238.419 3.028 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000651191314 410855943 /nfs/dbraw/zinc/85/59/43/410855943.db2.gz VESBDQKPMRSOEY-IHRRRGAJSA-N 1 3 238.419 3.028 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000651191315 410855381 /nfs/dbraw/zinc/85/53/81/410855381.db2.gz VESBDQKPMRSOEY-MELADBBJSA-N 1 3 238.419 3.028 20 0 BGADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000651191316 410855677 /nfs/dbraw/zinc/85/56/77/410855677.db2.gz VESBDQKPMRSOEY-MJBXVCDLSA-N 1 3 238.419 3.028 20 0 BGADHO CC[C@@]1(C)CCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000651749809 411141078 /nfs/dbraw/zinc/14/10/78/411141078.db2.gz KKQVBPVAMIXGES-CABCVRRESA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000651749810 411140853 /nfs/dbraw/zinc/14/08/53/411140853.db2.gz KKQVBPVAMIXGES-GJZGRUSLSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@]1(C)CCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000651749811 411141007 /nfs/dbraw/zinc/14/10/07/411141007.db2.gz KKQVBPVAMIXGES-HUUCEWRRSA-N 1 3 238.419 3.031 20 0 BGADHO CC[C@]1(C)CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000651749812 411140840 /nfs/dbraw/zinc/14/08/40/411140840.db2.gz KKQVBPVAMIXGES-LSDHHAIUSA-N 1 3 238.419 3.031 20 0 BGADHO CC1=CC[C@H]([NH2+]CCCN(C)CC(C)C)CC1 ZINC000651865223 411148119 /nfs/dbraw/zinc/14/81/19/411148119.db2.gz RAMJQVHPSABUFO-HNNXBMFYSA-N 1 3 238.419 3.053 20 0 BGADHO CC1=CC[C@@H]([NH2+]CCCN(C)CC(C)C)CC1 ZINC000651865224 411147705 /nfs/dbraw/zinc/14/77/05/411147705.db2.gz RAMJQVHPSABUFO-OAHLLOKOSA-N 1 3 238.419 3.053 20 0 BGADHO CC[N@@H+](CCCNCC1CC1)C1CCCCC1 ZINC000651909509 411150024 /nfs/dbraw/zinc/15/00/24/411150024.db2.gz MKCQLDBPOPRTLN-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CC[N@H+](CCCNCC1CC1)C1CCCCC1 ZINC000651909509 411150023 /nfs/dbraw/zinc/15/00/23/411150023.db2.gz MKCQLDBPOPRTLN-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000656195964 411200612 /nfs/dbraw/zinc/20/06/12/411200612.db2.gz PCYVLTWDACGSCK-BARDWOONSA-N 1 3 238.419 3.205 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000656195965 411200775 /nfs/dbraw/zinc/20/07/75/411200775.db2.gz PCYVLTWDACGSCK-KBXIAJHMSA-N 1 3 238.419 3.205 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000656195966 411200708 /nfs/dbraw/zinc/20/07/08/411200708.db2.gz PCYVLTWDACGSCK-QPSCCSFWSA-N 1 3 238.419 3.205 20 0 BGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000656195967 411200746 /nfs/dbraw/zinc/20/07/46/411200746.db2.gz PCYVLTWDACGSCK-TUVASFSCSA-N 1 3 238.419 3.205 20 0 BGADHO CC(C)(N)C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656785413 411364420 /nfs/dbraw/zinc/36/44/20/411364420.db2.gz HBBWWCFQMBOUIH-UHFFFAOYSA-N 1 3 246.398 3.171 20 0 BGADHO C[C@H](C[NH3+])CNCc1cccc(C2CCCC2)c1 ZINC000656785806 411364693 /nfs/dbraw/zinc/36/46/93/411364693.db2.gz JUQNTLZUKIUSRS-CYBMUJFWSA-N 1 3 246.398 3.029 20 0 BGADHO C[C@@H](C[NH3+])CNCc1cccc(C2CCCC2)c1 ZINC000656785808 411365035 /nfs/dbraw/zinc/36/50/35/411365035.db2.gz JUQNTLZUKIUSRS-ZDUSSCGKSA-N 1 3 246.398 3.029 20 0 BGADHO C[C@H](CC[NH3+])NCc1cccc(C2CCCC2)c1 ZINC000656786148 411365874 /nfs/dbraw/zinc/36/58/74/411365874.db2.gz LFHPIPCLDTZDMR-CYBMUJFWSA-N 1 3 246.398 3.171 20 0 BGADHO C[C@@H](CC[NH3+])NCc1cccc(C2CCCC2)c1 ZINC000656786149 411365939 /nfs/dbraw/zinc/36/59/39/411365939.db2.gz LFHPIPCLDTZDMR-ZDUSSCGKSA-N 1 3 246.398 3.171 20 0 BGADHO CC[C@H](N)C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787128 411366562 /nfs/dbraw/zinc/36/65/62/411366562.db2.gz USTGWDIXJQRTGI-INIZCTEOSA-N 1 3 246.398 3.171 20 0 BGADHO CC[C@@H](N)C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787129 411366543 /nfs/dbraw/zinc/36/65/43/411366543.db2.gz USTGWDIXJQRTGI-MRXNPFEDSA-N 1 3 246.398 3.171 20 0 BGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787132 411365646 /nfs/dbraw/zinc/36/56/46/411365646.db2.gz UUNWHDMODZWISR-CHWSQXEVSA-N 1 3 246.398 3.170 20 0 BGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787133 411366274 /nfs/dbraw/zinc/36/62/74/411366274.db2.gz UUNWHDMODZWISR-OLZOCXBDSA-N 1 3 246.398 3.170 20 0 BGADHO C[C@@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@H](C)N ZINC000656787134 411365694 /nfs/dbraw/zinc/36/56/94/411365694.db2.gz UUNWHDMODZWISR-QWHCGFSZSA-N 1 3 246.398 3.170 20 0 BGADHO C[C@H](N)[C@H](C)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787135 411366624 /nfs/dbraw/zinc/36/66/24/411366624.db2.gz UUNWHDMODZWISR-STQMWFEESA-N 1 3 246.398 3.170 20 0 BGADHO CC(C)c1ccc(C[NH2+]CC2(N)CCCC2)cc1 ZINC000656788503 411367628 /nfs/dbraw/zinc/36/76/28/411367628.db2.gz SBNANCDEBMVDNR-UHFFFAOYSA-N 1 3 246.398 3.171 20 0 BGADHO CC[C@@H](CNCC1([NH3+])CCCC1)c1ccccc1 ZINC000656788539 411367262 /nfs/dbraw/zinc/36/72/62/411367262.db2.gz UHJZUOAKYBXKJL-AWEZNQCLSA-N 1 3 246.398 3.041 20 0 BGADHO CC[C@H](CNCC1([NH3+])CCCC1)c1ccccc1 ZINC000656788540 411367573 /nfs/dbraw/zinc/36/75/73/411367573.db2.gz UHJZUOAKYBXKJL-CQSZACIVSA-N 1 3 246.398 3.041 20 0 BGADHO C[C@H](c1ccccc1)[C@H](C)NCC1([NH3+])CCCC1 ZINC000656788847 411369528 /nfs/dbraw/zinc/36/95/28/411369528.db2.gz DSAZBSHVSXNHJU-KBPBESRZSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@H](NCC1([NH3+])CCCC1)[C@@H](C)c1ccccc1 ZINC000656788848 411368864 /nfs/dbraw/zinc/36/88/64/411368864.db2.gz DSAZBSHVSXNHJU-KGLIPLIRSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@@H](NCC1([NH3+])CCCC1)[C@H](C)c1ccccc1 ZINC000656788849 411369567 /nfs/dbraw/zinc/36/95/67/411369567.db2.gz DSAZBSHVSXNHJU-UONOGXRCSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@@H](NCC1([NH3+])CCCC1)[C@@H](C)c1ccccc1 ZINC000656788850 411369549 /nfs/dbraw/zinc/36/95/49/411369549.db2.gz DSAZBSHVSXNHJU-ZIAGYGMSSA-N 1 3 246.398 3.040 20 0 BGADHO C[C@@H](CCNCC1([NH3+])CCCC1)c1ccccc1 ZINC000656789295 411368793 /nfs/dbraw/zinc/36/87/93/411368793.db2.gz MAASKYSRCFNVEH-AWEZNQCLSA-N 1 3 246.398 3.041 20 0 BGADHO C[C@H](CCNCC1([NH3+])CCCC1)c1ccccc1 ZINC000656789296 411368841 /nfs/dbraw/zinc/36/88/41/411368841.db2.gz MAASKYSRCFNVEH-CQSZACIVSA-N 1 3 246.398 3.041 20 0 BGADHO CC(C)=CCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000659963390 411512208 /nfs/dbraw/zinc/51/22/08/411512208.db2.gz WHTPRYSLDXCWIV-HNNXBMFYSA-N 1 3 238.419 3.149 20 0 BGADHO CC(C)=CCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000659963390 411512205 /nfs/dbraw/zinc/51/22/05/411512205.db2.gz WHTPRYSLDXCWIV-HNNXBMFYSA-N 1 3 238.419 3.149 20 0 BGADHO CC(C)=CCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000659963391 411512406 /nfs/dbraw/zinc/51/24/06/411512406.db2.gz WHTPRYSLDXCWIV-OAHLLOKOSA-N 1 3 238.419 3.149 20 0 BGADHO CC(C)=CCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000659963391 411512403 /nfs/dbraw/zinc/51/24/03/411512403.db2.gz WHTPRYSLDXCWIV-OAHLLOKOSA-N 1 3 238.419 3.149 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCC=C(C)C)C1 ZINC000659973613 411515552 /nfs/dbraw/zinc/51/55/52/411515552.db2.gz DDZGPVLOZWHLKJ-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CCN(CC)C[C@@H]1CC[N@H+](CCC=C(C)C)C1 ZINC000659973613 411515550 /nfs/dbraw/zinc/51/55/50/411515550.db2.gz DDZGPVLOZWHLKJ-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CC[NH+](CC)C[C@@H]1CCN(CCC=C(C)C)C1 ZINC000659973613 411515549 /nfs/dbraw/zinc/51/55/49/411515549.db2.gz DDZGPVLOZWHLKJ-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CCN(CC)C[C@H]1CC[N@@H+](CCC=C(C)C)C1 ZINC000659973614 411514568 /nfs/dbraw/zinc/51/45/68/411514568.db2.gz DDZGPVLOZWHLKJ-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CCN(CC)C[C@H]1CC[N@H+](CCC=C(C)C)C1 ZINC000659973614 411514565 /nfs/dbraw/zinc/51/45/65/411514565.db2.gz DDZGPVLOZWHLKJ-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CC[NH+](CC)C[C@H]1CCN(CCC=C(C)C)C1 ZINC000659973614 411514564 /nfs/dbraw/zinc/51/45/64/411514564.db2.gz DDZGPVLOZWHLKJ-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC=C(C)C)C1 ZINC000659982099 411518656 /nfs/dbraw/zinc/51/86/56/411518656.db2.gz FHBMFYRLGQTAPG-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CCCN(C)C[C@@H]1CC[N@H+](CCC=C(C)C)C1 ZINC000659982099 411518654 /nfs/dbraw/zinc/51/86/54/411518654.db2.gz FHBMFYRLGQTAPG-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CCC[N@@H+](C)C[C@@H]1CCN(CCC=C(C)C)C1 ZINC000659982099 411518652 /nfs/dbraw/zinc/51/86/52/411518652.db2.gz FHBMFYRLGQTAPG-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CCC[N@H+](C)C[C@@H]1CCN(CCC=C(C)C)C1 ZINC000659982099 411518649 /nfs/dbraw/zinc/51/86/49/411518649.db2.gz FHBMFYRLGQTAPG-HNNXBMFYSA-N 1 3 238.419 3.006 20 0 BGADHO CCCN(C)C[C@H]1CC[N@@H+](CCC=C(C)C)C1 ZINC000659982100 411518080 /nfs/dbraw/zinc/51/80/80/411518080.db2.gz FHBMFYRLGQTAPG-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CCCN(C)C[C@H]1CC[N@H+](CCC=C(C)C)C1 ZINC000659982100 411518079 /nfs/dbraw/zinc/51/80/79/411518079.db2.gz FHBMFYRLGQTAPG-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CCC[N@@H+](C)C[C@H]1CCN(CCC=C(C)C)C1 ZINC000659982100 411518078 /nfs/dbraw/zinc/51/80/78/411518078.db2.gz FHBMFYRLGQTAPG-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CCC[N@H+](C)C[C@H]1CCN(CCC=C(C)C)C1 ZINC000659982100 411518077 /nfs/dbraw/zinc/51/80/77/411518077.db2.gz FHBMFYRLGQTAPG-OAHLLOKOSA-N 1 3 238.419 3.006 20 0 BGADHO CC[C@H](C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677523 411616703 /nfs/dbraw/zinc/61/67/03/411616703.db2.gz MYXISFDHWMURFQ-AWEZNQCLSA-N 1 3 246.398 3.039 20 0 BGADHO CC[C@@H](C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677527 411617033 /nfs/dbraw/zinc/61/70/33/411617033.db2.gz MYXISFDHWMURFQ-CQSZACIVSA-N 1 3 246.398 3.039 20 0 BGADHO CC1(N)CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000662269985 412059732 /nfs/dbraw/zinc/05/97/32/412059732.db2.gz GBSYECDJSPZEQH-CYBMUJFWSA-N 1 3 238.419 3.016 20 0 BGADHO CC1(N)CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000662269986 412059792 /nfs/dbraw/zinc/05/97/92/412059792.db2.gz GBSYECDJSPZEQH-ZDUSSCGKSA-N 1 3 238.419 3.016 20 0 BGADHO CC(C)=CCCN(CCC[NH3+])Cc1ccccc1 ZINC000662272166 412063249 /nfs/dbraw/zinc/06/32/49/412063249.db2.gz LMRAWKYYIPTTMW-UHFFFAOYSA-N 1 3 246.398 3.194 20 0 BGADHO CC(C)c1cccc(C[N@@H+](C)C2(CN)CCC2)c1 ZINC000662273461 412066321 /nfs/dbraw/zinc/06/63/21/412066321.db2.gz MUBAYDKMABTJEJ-UHFFFAOYSA-N 1 3 246.398 3.123 20 0 BGADHO CC(C)c1cccc(C[N@H+](C)C2(CN)CCC2)c1 ZINC000662273461 412066316 /nfs/dbraw/zinc/06/63/16/412066316.db2.gz MUBAYDKMABTJEJ-UHFFFAOYSA-N 1 3 246.398 3.123 20 0 BGADHO CC(C)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000662282645 412072984 /nfs/dbraw/zinc/07/29/84/412072984.db2.gz ILSVBRJOKXPARB-HZPDHXFCSA-N 1 3 246.398 3.170 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CCCCC1(C)C ZINC000662285078 412076440 /nfs/dbraw/zinc/07/64/40/412076440.db2.gz WFKJWXLBDAKJSA-HZSPNIEDSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CCCCC1(C)C ZINC000662285078 412076436 /nfs/dbraw/zinc/07/64/36/412076436.db2.gz WFKJWXLBDAKJSA-HZSPNIEDSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@H]1CCCCC1(C)C ZINC000662285079 412077548 /nfs/dbraw/zinc/07/75/48/412077548.db2.gz WFKJWXLBDAKJSA-MCIONIFRSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@H]1CCCCC1(C)C ZINC000662285079 412077546 /nfs/dbraw/zinc/07/75/46/412077546.db2.gz WFKJWXLBDAKJSA-MCIONIFRSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1CCCCC1(C)C ZINC000662285080 412076370 /nfs/dbraw/zinc/07/63/70/412076370.db2.gz WFKJWXLBDAKJSA-MGPQQGTHSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1CCCCC1(C)C ZINC000662285080 412076367 /nfs/dbraw/zinc/07/63/67/412076367.db2.gz WFKJWXLBDAKJSA-MGPQQGTHSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CCCCC1(C)C ZINC000662285081 412078355 /nfs/dbraw/zinc/07/83/55/412078355.db2.gz WFKJWXLBDAKJSA-RDBSUJKOSA-N 1 3 238.419 3.014 20 0 BGADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CCCCC1(C)C ZINC000662285081 412078352 /nfs/dbraw/zinc/07/83/52/412078352.db2.gz WFKJWXLBDAKJSA-RDBSUJKOSA-N 1 3 238.419 3.014 20 0 BGADHO Cc1cc(C)c([C@H](C)[N@@H+](C)CC(C)(C)N)c(C)c1 ZINC000662292192 412082850 /nfs/dbraw/zinc/08/28/50/412082850.db2.gz DCNKBDUIRXDXFZ-AWEZNQCLSA-N 1 3 248.414 3.342 20 0 BGADHO Cc1cc(C)c([C@H](C)[N@H+](C)CC(C)(C)N)c(C)c1 ZINC000662292192 412082846 /nfs/dbraw/zinc/08/28/46/412082846.db2.gz DCNKBDUIRXDXFZ-AWEZNQCLSA-N 1 3 248.414 3.342 20 0 BGADHO Cc1cc(C)c([C@@H](C)[N@@H+](C)CC(C)(C)N)c(C)c1 ZINC000662292197 412081717 /nfs/dbraw/zinc/08/17/17/412081717.db2.gz DCNKBDUIRXDXFZ-CQSZACIVSA-N 1 3 248.414 3.342 20 0 BGADHO Cc1cc(C)c([C@@H](C)[N@H+](C)CC(C)(C)N)c(C)c1 ZINC000662292197 412081714 /nfs/dbraw/zinc/08/17/14/412081714.db2.gz DCNKBDUIRXDXFZ-CQSZACIVSA-N 1 3 248.414 3.342 20 0 BGADHO C[NH2+]CCCN1CCC[C@H]1c1c(C)cccc1C ZINC000662294918 412084838 /nfs/dbraw/zinc/08/48/38/412084838.db2.gz GYQVACLLZHJMST-HNNXBMFYSA-N 1 3 246.398 3.050 20 0 BGADHO CNCCC[N@H+]1CCC[C@H]1c1c(C)cccc1C ZINC000662294918 412084834 /nfs/dbraw/zinc/08/48/34/412084834.db2.gz GYQVACLLZHJMST-HNNXBMFYSA-N 1 3 246.398 3.050 20 0 BGADHO CNCCC[N@@H+]1CCC[C@H]1c1c(C)cccc1C ZINC000662294918 412084831 /nfs/dbraw/zinc/08/48/31/412084831.db2.gz GYQVACLLZHJMST-HNNXBMFYSA-N 1 3 246.398 3.050 20 0 BGADHO C[NH2+]CCCN1CCC[C@@H]1c1c(C)cccc1C ZINC000662294919 412085157 /nfs/dbraw/zinc/08/51/57/412085157.db2.gz GYQVACLLZHJMST-OAHLLOKOSA-N 1 3 246.398 3.050 20 0 BGADHO CNCCC[N@H+]1CCC[C@@H]1c1c(C)cccc1C ZINC000662294919 412085152 /nfs/dbraw/zinc/08/51/52/412085152.db2.gz GYQVACLLZHJMST-OAHLLOKOSA-N 1 3 246.398 3.050 20 0 BGADHO CNCCC[N@@H+]1CCC[C@@H]1c1c(C)cccc1C ZINC000662294919 412085148 /nfs/dbraw/zinc/08/51/48/412085148.db2.gz GYQVACLLZHJMST-OAHLLOKOSA-N 1 3 246.398 3.050 20 0 BGADHO CCC(CC)CCCN(C)C[C@H]1CCC[NH2+]C1 ZINC000662318165 412097927 /nfs/dbraw/zinc/09/79/27/412097927.db2.gz WTJAYLWNRADOII-HNNXBMFYSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)CCC[N@@H+](C)C[C@H]1CCCNC1 ZINC000662318165 412097925 /nfs/dbraw/zinc/09/79/25/412097925.db2.gz WTJAYLWNRADOII-HNNXBMFYSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)CCC[N@H+](C)C[C@H]1CCCNC1 ZINC000662318165 412097921 /nfs/dbraw/zinc/09/79/21/412097921.db2.gz WTJAYLWNRADOII-HNNXBMFYSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)CCCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000662318166 412097473 /nfs/dbraw/zinc/09/74/73/412097473.db2.gz WTJAYLWNRADOII-OAHLLOKOSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)CCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC000662318166 412097470 /nfs/dbraw/zinc/09/74/70/412097470.db2.gz WTJAYLWNRADOII-OAHLLOKOSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)CCC[N@H+](C)C[C@@H]1CCCNC1 ZINC000662318166 412097465 /nfs/dbraw/zinc/09/74/65/412097465.db2.gz WTJAYLWNRADOII-OAHLLOKOSA-N 1 3 240.435 3.134 20 0 BGADHO CCCCC[C@H]1CCCCN1CCC[NH2+]C ZINC000662319203 412098988 /nfs/dbraw/zinc/09/89/88/412098988.db2.gz KQEVBKIHCZQXGC-AWEZNQCLSA-N 1 3 226.408 3.031 20 0 BGADHO CCCCC[C@H]1CCCC[N@H+]1CCCNC ZINC000662319203 412098985 /nfs/dbraw/zinc/09/89/85/412098985.db2.gz KQEVBKIHCZQXGC-AWEZNQCLSA-N 1 3 226.408 3.031 20 0 BGADHO CCCCC[C@H]1CCCC[N@@H+]1CCCNC ZINC000662319203 412098981 /nfs/dbraw/zinc/09/89/81/412098981.db2.gz KQEVBKIHCZQXGC-AWEZNQCLSA-N 1 3 226.408 3.031 20 0 BGADHO CCCCC[C@@H]1CCCCN1CCC[NH2+]C ZINC000662319204 412098129 /nfs/dbraw/zinc/09/81/29/412098129.db2.gz KQEVBKIHCZQXGC-CQSZACIVSA-N 1 3 226.408 3.031 20 0 BGADHO CCCCC[C@@H]1CCCC[N@H+]1CCCNC ZINC000662319204 412098127 /nfs/dbraw/zinc/09/81/27/412098127.db2.gz KQEVBKIHCZQXGC-CQSZACIVSA-N 1 3 226.408 3.031 20 0 BGADHO CCCCC[C@@H]1CCCC[N@@H+]1CCCNC ZINC000662319204 412098125 /nfs/dbraw/zinc/09/81/25/412098125.db2.gz KQEVBKIHCZQXGC-CQSZACIVSA-N 1 3 226.408 3.031 20 0 BGADHO CC(C)[C@H]([NH3+])CCNCc1ccccc1C1CC1 ZINC000663498165 411682399 /nfs/dbraw/zinc/68/23/99/411682399.db2.gz MBUFMICZHOGKSD-MRXNPFEDSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)c1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663498228 411682564 /nfs/dbraw/zinc/68/25/64/411682564.db2.gz NCBBINDAWWFZPK-MRXNPFEDSA-N 1 3 248.414 3.273 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000663498362 411681401 /nfs/dbraw/zinc/68/14/01/411681401.db2.gz BFDLWHIMQYQWLH-UONOGXRCSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000663498368 411680985 /nfs/dbraw/zinc/68/09/85/411680985.db2.gz BFDLWHIMQYQWLH-ZIAGYGMSSA-N 1 3 240.435 3.166 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]C1CCC(C(C)C)CC1 ZINC000663498462 411679170 /nfs/dbraw/zinc/67/91/70/411679170.db2.gz CTTLLMGIRQBAKH-YMAMQOFZSA-N 1 3 240.435 3.164 20 0 BGADHO Cc1cc(C)c(CNCC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000663498608 411682376 /nfs/dbraw/zinc/68/23/76/411682376.db2.gz QENFZXLIVHHQFF-MRXNPFEDSA-N 1 3 248.414 3.075 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]CC1CCC(C)(C)CC1 ZINC000663498789 411680857 /nfs/dbraw/zinc/68/08/57/411680857.db2.gz FZEYYZPYIPPFGC-CQSZACIVSA-N 1 3 240.435 3.166 20 0 BGADHO Cc1cc(C)c(CNCC[C@@H]([NH3+])C(C)C)cc1C ZINC000663498901 488047541 /nfs/dbraw/zinc/04/75/41/488047541.db2.gz SNCIRNYPLIBGCO-MRXNPFEDSA-N 1 3 248.414 3.075 20 0 BGADHO CCCC1CCC([NH2+]CC[C@@H](N)C(C)C)CC1 ZINC000663499751 411683971 /nfs/dbraw/zinc/68/39/71/411683971.db2.gz LVVSGFGNYRTDRY-YMAMQOFZSA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@H](CNCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000663500426 411682983 /nfs/dbraw/zinc/68/29/83/411682983.db2.gz SARVDSHRCSQKSE-GDBMZVCRSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@H](C[NH2+]CC[C@@H](N)C(C)C)c1ccccc1 ZINC000663500426 411682980 /nfs/dbraw/zinc/68/29/80/411682980.db2.gz SARVDSHRCSQKSE-GDBMZVCRSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@@H](CNCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000663500428 411682804 /nfs/dbraw/zinc/68/28/04/411682804.db2.gz SARVDSHRCSQKSE-GOEBONIOSA-N 1 3 248.414 3.143 20 0 BGADHO CC[C@@H](C[NH2+]CC[C@@H](N)C(C)C)c1ccccc1 ZINC000663500428 411682800 /nfs/dbraw/zinc/68/28/00/411682800.db2.gz SARVDSHRCSQKSE-GOEBONIOSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H](C)c1ccccc1 ZINC000663500460 488050732 /nfs/dbraw/zinc/05/07/32/488050732.db2.gz SRIDFZGIGDVVGI-IIAWOOMASA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000663500460 488050727 /nfs/dbraw/zinc/05/07/27/488050727.db2.gz SRIDFZGIGDVVGI-IIAWOOMASA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000663500464 488050511 /nfs/dbraw/zinc/05/05/11/488050511.db2.gz SRIDFZGIGDVVGI-IJEWVQPXSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000663500464 488050507 /nfs/dbraw/zinc/05/05/07/488050507.db2.gz SRIDFZGIGDVVGI-IJEWVQPXSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@H](C)c1ccccc1 ZINC000663500468 488050366 /nfs/dbraw/zinc/05/03/66/488050366.db2.gz SRIDFZGIGDVVGI-OFQRWUPVSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000663500468 488050362 /nfs/dbraw/zinc/05/03/62/488050362.db2.gz SRIDFZGIGDVVGI-OFQRWUPVSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@H](C)c1ccccc1 ZINC000663500469 488050888 /nfs/dbraw/zinc/05/08/88/488050888.db2.gz SRIDFZGIGDVVGI-SQWLQELKSA-N 1 3 248.414 3.142 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000663500469 488050883 /nfs/dbraw/zinc/05/08/83/488050883.db2.gz SRIDFZGIGDVVGI-SQWLQELKSA-N 1 3 248.414 3.142 20 0 BGADHO CCC1(C)CCC([NH2+]CC[C@@H](N)C(C)C)CC1 ZINC000663500976 410278270 /nfs/dbraw/zinc/27/82/70/410278270.db2.gz XDUQVCWIKICOHE-SHARSMKWSA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@@H]1CCC[C@H](C[NH2+]CC[C@@H](N)C(C)C)C1 ZINC000663501044 411686433 /nfs/dbraw/zinc/68/64/33/411686433.db2.gz YVFOHPLOCLSADH-QLFBSQMISA-N 1 3 240.435 3.166 20 0 BGADHO CC[C@@H]1CCC[C@@H](C[NH2+]CC[C@@H](N)C(C)C)C1 ZINC000663501046 411685648 /nfs/dbraw/zinc/68/56/48/411685648.db2.gz YVFOHPLOCLSADH-RBSFLKMASA-N 1 3 240.435 3.166 20 0 BGADHO CC[C@H]1CCC[C@@H](C[NH2+]CC[C@@H](N)C(C)C)C1 ZINC000663501047 411685316 /nfs/dbraw/zinc/68/53/16/411685316.db2.gz YVFOHPLOCLSADH-RRFJBIMHSA-N 1 3 240.435 3.166 20 0 BGADHO CC[C@H]1CCC[C@H](C[NH2+]CC[C@@H](N)C(C)C)C1 ZINC000663501048 411685143 /nfs/dbraw/zinc/68/51/43/411685143.db2.gz YVFOHPLOCLSADH-SOUVJXGZSA-N 1 3 240.435 3.166 20 0 BGADHO CCC(CC)CCCN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000663501284 411686167 /nfs/dbraw/zinc/68/61/67/411686167.db2.gz UOXWHQCICWJDMO-HNNXBMFYSA-N 1 3 240.435 3.134 20 0 BGADHO CCC(CC)CCCN(C)C[C@]1(C)CC[NH2+]C1 ZINC000663501285 411685195 /nfs/dbraw/zinc/68/51/95/411685195.db2.gz UOXWHQCICWJDMO-OAHLLOKOSA-N 1 3 240.435 3.134 20 0 BGADHO CC(C)[C@H]([NH3+])CCNCc1ccc(C2CC2)cc1 ZINC000663502170 411685297 /nfs/dbraw/zinc/68/52/97/411685297.db2.gz DCGAKLQROAAKNE-MRXNPFEDSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000663502361 411685612 /nfs/dbraw/zinc/68/56/12/411685612.db2.gz HHDQOYKWRNEJJS-BFHYXJOUSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000663502363 411685391 /nfs/dbraw/zinc/68/53/91/411685391.db2.gz HHDQOYKWRNEJJS-MCIONIFRSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000663502364 411685200 /nfs/dbraw/zinc/68/52/00/411685200.db2.gz HHDQOYKWRNEJJS-MGPQQGTHSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000663502366 411686005 /nfs/dbraw/zinc/68/60/05/411686005.db2.gz HHDQOYKWRNEJJS-MJBXVCDLSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000663502687 411686104 /nfs/dbraw/zinc/68/61/04/411686104.db2.gz JXKGLFFKYAZKGR-GDBMZVCRSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)[C@H]([NH3+])CCNCC[C@@H](C)c1ccccc1 ZINC000663502687 411686102 /nfs/dbraw/zinc/68/61/02/411686102.db2.gz JXKGLFFKYAZKGR-GDBMZVCRSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000663502688 411686141 /nfs/dbraw/zinc/68/61/41/411686141.db2.gz JXKGLFFKYAZKGR-GOEBONIOSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)[C@H]([NH3+])CCNCC[C@H](C)c1ccccc1 ZINC000663502688 411686136 /nfs/dbraw/zinc/68/61/36/411686136.db2.gz JXKGLFFKYAZKGR-GOEBONIOSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)[C@H]([NH3+])CCNCc1cccc(C2CC2)c1 ZINC000663502990 411688170 /nfs/dbraw/zinc/68/81/70/411688170.db2.gz KVNNXPHXBIOJDE-MRXNPFEDSA-N 1 3 246.398 3.027 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000663503013 411687979 /nfs/dbraw/zinc/68/79/79/411687979.db2.gz LUZVTDUYKJMLAQ-KFWWJZLASA-N 1 3 240.435 3.308 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000663503014 411688591 /nfs/dbraw/zinc/68/85/91/411688591.db2.gz LUZVTDUYKJMLAQ-RBSFLKMASA-N 1 3 240.435 3.308 20 0 BGADHO CCCC[C@H]1CCC[C@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000663503015 411688530 /nfs/dbraw/zinc/68/85/30/411688530.db2.gz LUZVTDUYKJMLAQ-RRFJBIMHSA-N 1 3 240.435 3.308 20 0 BGADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000663503016 411687572 /nfs/dbraw/zinc/68/75/72/411687572.db2.gz LUZVTDUYKJMLAQ-ZNMIVQPWSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCC1CCCC1 ZINC000663503312 411688422 /nfs/dbraw/zinc/68/84/22/411688422.db2.gz OHVBOIJBMKLFGI-DZGCQCFKSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCC1CCCC1 ZINC000663503313 411688432 /nfs/dbraw/zinc/68/84/32/411688432.db2.gz OHVBOIJBMKLFGI-UKRRQHHQSA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@@H](N)C(C)C ZINC000663503334 411688020 /nfs/dbraw/zinc/68/80/20/411688020.db2.gz PBUYPNLHXLXTHL-BFHYXJOUSA-N 1 3 228.424 3.164 20 0 BGADHO CC[C@@H](C)C[C@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000663503335 411688361 /nfs/dbraw/zinc/68/83/61/411688361.db2.gz PBUYPNLHXLXTHL-HZSPNIEDSA-N 1 3 228.424 3.164 20 0 BGADHO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000663503336 411688098 /nfs/dbraw/zinc/68/80/98/411688098.db2.gz PBUYPNLHXLXTHL-MELADBBJSA-N 1 3 228.424 3.164 20 0 BGADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000663503337 411687668 /nfs/dbraw/zinc/68/76/68/411687668.db2.gz PBUYPNLHXLXTHL-MGPQQGTHSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)CCC[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000663503695 411687833 /nfs/dbraw/zinc/68/78/33/411687833.db2.gz SWHJBKRLTUBLQK-UONOGXRCSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)CCC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000663503696 411688558 /nfs/dbraw/zinc/68/85/58/411688558.db2.gz SWHJBKRLTUBLQK-ZIAGYGMSSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]CCCC1CCCCC1 ZINC000663503911 410278074 /nfs/dbraw/zinc/27/80/74/410278074.db2.gz SVAKDEQGHJTIRE-OAHLLOKOSA-N 1 3 240.435 3.310 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]CCC1CCCCCC1 ZINC000663504540 411688084 /nfs/dbraw/zinc/68/80/84/411688084.db2.gz ZYFRYROYIAMFLQ-OAHLLOKOSA-N 1 3 240.435 3.310 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000665234140 412171749 /nfs/dbraw/zinc/17/17/49/412171749.db2.gz YQBJQJHOBOSQBV-BFHYXJOUSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000665234141 412172673 /nfs/dbraw/zinc/17/26/73/412172673.db2.gz YQBJQJHOBOSQBV-IHRRRGAJSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000665234142 412172631 /nfs/dbraw/zinc/17/26/31/412172631.db2.gz YQBJQJHOBOSQBV-MELADBBJSA-N 1 3 238.419 3.205 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCCC12CCCCC2 ZINC000665234143 412172476 /nfs/dbraw/zinc/17/24/76/412172476.db2.gz YQBJQJHOBOSQBV-MJBXVCDLSA-N 1 3 238.419 3.205 20 0 BGADHO CC[C@H](C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665238163 412178948 /nfs/dbraw/zinc/17/89/48/412178948.db2.gz SBUJSZVPJMJXLM-CQDKDKBSSA-N 1 3 232.371 3.157 20 0 BGADHO CC[C@H](C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665238164 412179068 /nfs/dbraw/zinc/17/90/68/412179068.db2.gz SBUJSZVPJMJXLM-GLQYFDAESA-N 1 3 232.371 3.157 20 0 BGADHO CC[C@H](C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665238165 412179229 /nfs/dbraw/zinc/17/92/29/412179229.db2.gz SBUJSZVPJMJXLM-NILFDRSVSA-N 1 3 232.371 3.157 20 0 BGADHO CC[C@H](C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665238166 412179016 /nfs/dbraw/zinc/17/90/16/412179016.db2.gz SBUJSZVPJMJXLM-TUKIKUTGSA-N 1 3 232.371 3.157 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665238713 412178381 /nfs/dbraw/zinc/17/83/81/412178381.db2.gz BAMSQMNNCIUHJK-ABHRYQDASA-N 1 3 240.435 3.164 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665238714 412177783 /nfs/dbraw/zinc/17/77/83/412177783.db2.gz BAMSQMNNCIUHJK-JLNYLFASSA-N 1 3 240.435 3.164 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665238715 412178625 /nfs/dbraw/zinc/17/86/25/412178625.db2.gz BAMSQMNNCIUHJK-XFMPKHEZSA-N 1 3 240.435 3.164 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665238716 412177946 /nfs/dbraw/zinc/17/79/46/412177946.db2.gz BAMSQMNNCIUHJK-XPCVCDNBSA-N 1 3 240.435 3.164 20 0 BGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1cccc(C)c1 ZINC000665246547 412191701 /nfs/dbraw/zinc/19/17/01/412191701.db2.gz IOCTUGLCXYLJLV-HNNXBMFYSA-N 1 3 246.398 3.307 20 0 BGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1cccc(C)c1 ZINC000665246548 412190451 /nfs/dbraw/zinc/19/04/51/412190451.db2.gz IOCTUGLCXYLJLV-OAHLLOKOSA-N 1 3 246.398 3.307 20 0 BGADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665246811 410730111 /nfs/dbraw/zinc/73/01/11/410730111.db2.gz OQNVUZLDYXGDFI-DOMZBBRYSA-N 1 3 244.382 3.096 20 0 BGADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665246812 410729716 /nfs/dbraw/zinc/72/97/16/410729716.db2.gz OQNVUZLDYXGDFI-IUODEOHRSA-N 1 3 244.382 3.096 20 0 BGADHO C[C@H]1C[C@@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665246813 410729264 /nfs/dbraw/zinc/72/92/64/410729264.db2.gz OQNVUZLDYXGDFI-SWLSCSKDSA-N 1 3 244.382 3.096 20 0 BGADHO C[C@H]1C[C@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665246814 410729462 /nfs/dbraw/zinc/72/94/62/410729462.db2.gz OQNVUZLDYXGDFI-WFASDCNBSA-N 1 3 244.382 3.096 20 0 BGADHO CC(C)[C@H]([NH2+]CC1(N)CCCC1)c1ccccc1 ZINC000665247482 412192186 /nfs/dbraw/zinc/19/21/86/412192186.db2.gz CPBQBFVMZMIDOQ-HNNXBMFYSA-N 1 3 246.398 3.245 20 0 BGADHO CC(C)[C@@H]([NH2+]CC1(N)CCCC1)c1ccccc1 ZINC000665247483 412193798 /nfs/dbraw/zinc/19/37/98/412193798.db2.gz CPBQBFVMZMIDOQ-OAHLLOKOSA-N 1 3 246.398 3.245 20 0 BGADHO Cc1cc(C)cc([C@H](C)[NH2+]CC2(N)CCCC2)c1 ZINC000665248700 412194811 /nfs/dbraw/zinc/19/48/11/412194811.db2.gz AKTFZRRZOWBEQT-AWEZNQCLSA-N 1 3 246.398 3.226 20 0 BGADHO Cc1cc(C)cc([C@@H](C)[NH2+]CC2(N)CCCC2)c1 ZINC000665248701 412194510 /nfs/dbraw/zinc/19/45/10/412194510.db2.gz AKTFZRRZOWBEQT-CQSZACIVSA-N 1 3 246.398 3.226 20 0 BGADHO Cc1ccc([C@H](C)[NH2+]CC2(N)CCCC2)c(C)c1 ZINC000665249100 412195238 /nfs/dbraw/zinc/19/52/38/412195238.db2.gz JVOUFCHXDOWGBV-AWEZNQCLSA-N 1 3 246.398 3.226 20 0 BGADHO Cc1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)c(C)c1 ZINC000665249101 412194868 /nfs/dbraw/zinc/19/48/68/412194868.db2.gz JVOUFCHXDOWGBV-CQSZACIVSA-N 1 3 246.398 3.226 20 0 BGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1cccs1 ZINC000665249263 412195010 /nfs/dbraw/zinc/19/50/10/412195010.db2.gz MFUOMBJAVJLUMO-LLVKDONJSA-N 1 3 238.400 3.060 20 0 BGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1cccs1 ZINC000665249264 412195563 /nfs/dbraw/zinc/19/55/63/412195563.db2.gz MFUOMBJAVJLUMO-NSHDSACASA-N 1 3 238.400 3.060 20 0 BGADHO CCc1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665249289 412194707 /nfs/dbraw/zinc/19/47/07/412194707.db2.gz MLHFZGHPGSFXKD-CYBMUJFWSA-N 1 3 246.398 3.171 20 0 BGADHO CCc1ccc([C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665249290 412194578 /nfs/dbraw/zinc/19/45/78/412194578.db2.gz MLHFZGHPGSFXKD-ZDUSSCGKSA-N 1 3 246.398 3.171 20 0 BGADHO Cc1ccc(C)c([C@H](C)[NH2+]CC2(N)CCCC2)c1 ZINC000665249436 412195616 /nfs/dbraw/zinc/19/56/16/412195616.db2.gz QHLBLMSUKOIBSZ-AWEZNQCLSA-N 1 3 246.398 3.226 20 0 BGADHO Cc1ccc(C)c([C@@H](C)[NH2+]CC2(N)CCCC2)c1 ZINC000665249437 412194482 /nfs/dbraw/zinc/19/44/82/412194482.db2.gz QHLBLMSUKOIBSZ-CQSZACIVSA-N 1 3 246.398 3.226 20 0 BGADHO Cc1cccc([C@H](C)[NH2+]CC2(N)CCCC2)c1C ZINC000665249485 412194680 /nfs/dbraw/zinc/19/46/80/412194680.db2.gz RGZSTBIVSRBIAN-AWEZNQCLSA-N 1 3 246.398 3.226 20 0 BGADHO Cc1cccc([C@@H](C)[NH2+]CC2(N)CCCC2)c1C ZINC000665249486 412195625 /nfs/dbraw/zinc/19/56/25/412195625.db2.gz RGZSTBIVSRBIAN-CQSZACIVSA-N 1 3 246.398 3.226 20 0 BGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(C)cc1 ZINC000665249730 410731661 /nfs/dbraw/zinc/73/16/61/410731661.db2.gz XWVYQTQNAMVSPK-HNNXBMFYSA-N 1 3 246.398 3.307 20 0 BGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(C)cc1 ZINC000665249731 410731363 /nfs/dbraw/zinc/73/13/63/410731363.db2.gz XWVYQTQNAMVSPK-OAHLLOKOSA-N 1 3 246.398 3.307 20 0 BGADHO Cc1ccc([C@H](C)[NH2+]CC2(N)CCCC2)cc1C ZINC000665250590 410731911 /nfs/dbraw/zinc/73/19/11/410731911.db2.gz WUUNFKFEHOLRHQ-AWEZNQCLSA-N 1 3 246.398 3.226 20 0 BGADHO Cc1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)cc1C ZINC000665250591 410731864 /nfs/dbraw/zinc/73/18/64/410731864.db2.gz WUUNFKFEHOLRHQ-CQSZACIVSA-N 1 3 246.398 3.226 20 0 BGADHO CCC[C@H]([NH2+]CC1(N)CCCC1)c1ccccc1 ZINC000665250686 412197418 /nfs/dbraw/zinc/19/74/18/412197418.db2.gz ZMNKJMMDKMFKSR-HNNXBMFYSA-N 1 3 246.398 3.389 20 0 BGADHO CCC[C@@H]([NH2+]CC1(N)CCCC1)c1ccccc1 ZINC000665250687 412197356 /nfs/dbraw/zinc/19/73/56/412197356.db2.gz ZMNKJMMDKMFKSR-OAHLLOKOSA-N 1 3 246.398 3.389 20 0 BGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC(C)(C)F ZINC000665261460 412203795 /nfs/dbraw/zinc/20/37/95/412203795.db2.gz CTUUZFOXYPHPHB-CHWSQXEVSA-N 1 3 244.398 3.025 20 0 BGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC(C)(C)F ZINC000665261461 412204214 /nfs/dbraw/zinc/20/42/14/412204214.db2.gz CTUUZFOXYPHPHB-OLZOCXBDSA-N 1 3 244.398 3.025 20 0 BGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC(C)(C)F ZINC000665261462 412204775 /nfs/dbraw/zinc/20/47/75/412204775.db2.gz CTUUZFOXYPHPHB-QWHCGFSZSA-N 1 3 244.398 3.025 20 0 BGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC(C)(C)F ZINC000665261463 412203462 /nfs/dbraw/zinc/20/34/62/412203462.db2.gz CTUUZFOXYPHPHB-STQMWFEESA-N 1 3 244.398 3.025 20 0 BGADHO [NH3+][C@@H]1C[C@H](NCCCC2CCC2)c2ccccc21 ZINC000665267541 410738969 /nfs/dbraw/zinc/73/89/69/410738969.db2.gz YKJRESTUAYDVMX-CVEARBPZSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@H]1C[C@H](NCCCC2CCC2)c2ccccc21 ZINC000665267542 410740010 /nfs/dbraw/zinc/74/00/10/410740010.db2.gz YKJRESTUAYDVMX-HOTGVXAUSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NCCCC2CCC2)c2ccccc21 ZINC000665267543 410739714 /nfs/dbraw/zinc/73/97/14/410739714.db2.gz YKJRESTUAYDVMX-HZPDHXFCSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@H]1C[C@@H](NCCCC2CCC2)c2ccccc21 ZINC000665267544 410738771 /nfs/dbraw/zinc/73/87/71/410738771.db2.gz YKJRESTUAYDVMX-JKSUJKDBSA-N 1 3 244.382 3.301 20 0 BGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@]1(C)CC1(C)C ZINC000665275748 412219405 /nfs/dbraw/zinc/21/94/05/412219405.db2.gz QSJCXGMUVUAPNV-IPYPFGDCSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@]1(C)CC1(C)C ZINC000665275749 412219080 /nfs/dbraw/zinc/21/90/80/412219080.db2.gz QSJCXGMUVUAPNV-NFAWXSAZSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@]1(C)CC1(C)C ZINC000665275750 412219809 /nfs/dbraw/zinc/21/98/09/412219809.db2.gz QSJCXGMUVUAPNV-UMVBOHGHSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@]1(C)CC1(C)C ZINC000665275751 412219401 /nfs/dbraw/zinc/21/94/01/412219401.db2.gz QSJCXGMUVUAPNV-VNHYZAJKSA-N 1 3 238.419 3.075 20 0 BGADHO Cc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665279400 410755198 /nfs/dbraw/zinc/75/51/98/410755198.db2.gz BOYHBOLDDRPKAV-DZGCQCFKSA-N 1 3 234.387 3.019 20 0 BGADHO Cc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665279401 410754682 /nfs/dbraw/zinc/75/46/82/410754682.db2.gz BOYHBOLDDRPKAV-UKRRQHHQSA-N 1 3 234.387 3.019 20 0 BGADHO Cc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1C ZINC000665279429 412223010 /nfs/dbraw/zinc/22/30/10/412223010.db2.gz CBBRBWVKYVKOLD-GDBMZVCRSA-N 1 3 248.414 3.327 20 0 BGADHO Cc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1C ZINC000665279430 412223147 /nfs/dbraw/zinc/22/31/47/412223147.db2.gz CBBRBWVKYVKOLD-GOEBONIOSA-N 1 3 248.414 3.327 20 0 BGADHO Cc1ccc(C)c([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000665279433 412219516 /nfs/dbraw/zinc/21/95/16/412219516.db2.gz CDOZRTDNALTJQM-GDBMZVCRSA-N 1 3 248.414 3.327 20 0 BGADHO Cc1ccc(C)c([C@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000665279434 412220330 /nfs/dbraw/zinc/22/03/30/412220330.db2.gz CDOZRTDNALTJQM-GOEBONIOSA-N 1 3 248.414 3.327 20 0 BGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000665279582 412220848 /nfs/dbraw/zinc/22/08/48/412220848.db2.gz GNPOABVZATVQMO-CABCVRRESA-N 1 3 234.387 3.101 20 0 BGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000665279583 412220828 /nfs/dbraw/zinc/22/08/28/412220828.db2.gz GNPOABVZATVQMO-HUUCEWRRSA-N 1 3 234.387 3.101 20 0 BGADHO Cc1cccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000665279620 412222414 /nfs/dbraw/zinc/22/24/14/412222414.db2.gz HIYJAMDIPZTKPP-DZGCQCFKSA-N 1 3 234.387 3.019 20 0 BGADHO Cc1cccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000665279621 412222783 /nfs/dbraw/zinc/22/27/83/412222783.db2.gz HIYJAMDIPZTKPP-UKRRQHHQSA-N 1 3 234.387 3.019 20 0 BGADHO CCC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000665279817 412223660 /nfs/dbraw/zinc/22/36/60/412223660.db2.gz MWKJHZDZMQKANK-CVEARBPZSA-N 1 3 248.414 3.491 20 0 BGADHO CCC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000665279818 412222469 /nfs/dbraw/zinc/22/24/69/412222469.db2.gz MWKJHZDZMQKANK-HZPDHXFCSA-N 1 3 248.414 3.491 20 0 BGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(C)cc1 ZINC000665280317 412224179 /nfs/dbraw/zinc/22/41/79/412224179.db2.gz YNFFILBGWATVBP-CVEARBPZSA-N 1 3 248.414 3.409 20 0 BGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(C)cc1 ZINC000665280318 412224535 /nfs/dbraw/zinc/22/45/35/412224535.db2.gz YNFFILBGWATVBP-HZPDHXFCSA-N 1 3 248.414 3.409 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCCc2ccccc21 ZINC000665280363 412224358 /nfs/dbraw/zinc/22/43/58/412224358.db2.gz ZQYREEPRSAHXEQ-CVEARBPZSA-N 1 3 246.398 3.027 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCc2ccccc21 ZINC000665280364 412224903 /nfs/dbraw/zinc/22/49/03/412224903.db2.gz ZQYREEPRSAHXEQ-HZPDHXFCSA-N 1 3 246.398 3.027 20 0 BGADHO Cc1cccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1C ZINC000665280415 412224809 /nfs/dbraw/zinc/22/48/09/412224809.db2.gz AJXNOFXJBRVAMJ-GDBMZVCRSA-N 1 3 248.414 3.327 20 0 BGADHO Cc1cccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)c1C ZINC000665280416 412225086 /nfs/dbraw/zinc/22/50/86/412225086.db2.gz AJXNOFXJBRVAMJ-GOEBONIOSA-N 1 3 248.414 3.327 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665280439 412224519 /nfs/dbraw/zinc/22/45/19/412224519.db2.gz BIMPAMQNBQLXNQ-UONOGXRCSA-N 1 3 226.408 3.084 20 0 BGADHO CC(C)=CCC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665280440 412224985 /nfs/dbraw/zinc/22/49/85/412224985.db2.gz BIMPAMQNBQLXNQ-ZIAGYGMSSA-N 1 3 226.408 3.084 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000665280496 412224170 /nfs/dbraw/zinc/22/41/70/412224170.db2.gz DQGNPIZCNAQOFH-KFWWJZLASA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000665280497 412224895 /nfs/dbraw/zinc/22/48/95/412224895.db2.gz DQGNPIZCNAQOFH-RBSFLKMASA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000665280498 412219284 /nfs/dbraw/zinc/21/92/84/412219284.db2.gz DQGNPIZCNAQOFH-RRFJBIMHSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000665280499 412218708 /nfs/dbraw/zinc/21/87/08/412218708.db2.gz DQGNPIZCNAQOFH-ZNMIVQPWSA-N 1 3 240.435 3.164 20 0 BGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1cccs1 ZINC000665280539 412225309 /nfs/dbraw/zinc/22/53/09/412225309.db2.gz FSTBDSSFJWSFKZ-NEPJUHHUSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1cccs1 ZINC000665280540 412225253 /nfs/dbraw/zinc/22/52/53/412225253.db2.gz FSTBDSSFJWSFKZ-VXGBXAGGSA-N 1 3 240.416 3.162 20 0 BGADHO Cc1cc(C)cc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000665280598 412225485 /nfs/dbraw/zinc/22/54/85/412225485.db2.gz HDZXAFXWLHLLAE-GDBMZVCRSA-N 1 3 248.414 3.327 20 0 BGADHO Cc1cc(C)cc([C@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000665280599 412220653 /nfs/dbraw/zinc/22/06/53/412220653.db2.gz HDZXAFXWLHLLAE-GOEBONIOSA-N 1 3 248.414 3.327 20 0 BGADHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665280749 412225491 /nfs/dbraw/zinc/22/54/91/412225491.db2.gz KBUOBSJANHYIGX-GBJTYRQASA-N 1 3 240.435 3.164 20 0 BGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665280750 412225115 /nfs/dbraw/zinc/22/51/15/412225115.db2.gz KBUOBSJANHYIGX-KBUPBQIOSA-N 1 3 240.435 3.164 20 0 BGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665280751 412224742 /nfs/dbraw/zinc/22/47/42/412224742.db2.gz KBUOBSJANHYIGX-TUVASFSCSA-N 1 3 240.435 3.164 20 0 BGADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665280752 412224689 /nfs/dbraw/zinc/22/46/89/412224689.db2.gz KBUOBSJANHYIGX-YJNKXOJESA-N 1 3 240.435 3.164 20 0 BGADHO Cc1ccsc1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280762 412224724 /nfs/dbraw/zinc/22/47/24/412224724.db2.gz KQLIGSVBTTWFLJ-NWDGAFQWSA-N 1 3 240.416 3.081 20 0 BGADHO Cc1ccsc1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280763 412224432 /nfs/dbraw/zinc/22/44/32/412224432.db2.gz KQLIGSVBTTWFLJ-VXGBXAGGSA-N 1 3 240.416 3.081 20 0 BGADHO Cc1ccccc1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280794 412225044 /nfs/dbraw/zinc/22/50/44/412225044.db2.gz LVTHRNKGOBKUGR-DZGCQCFKSA-N 1 3 234.387 3.019 20 0 BGADHO Cc1ccccc1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280795 412224783 /nfs/dbraw/zinc/22/47/83/412224783.db2.gz LVTHRNKGOBKUGR-UKRRQHHQSA-N 1 3 234.387 3.019 20 0 BGADHO Cc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000665280845 412224249 /nfs/dbraw/zinc/22/42/49/412224249.db2.gz NATJTVQYVAXTSV-GDBMZVCRSA-N 1 3 248.414 3.327 20 0 BGADHO Cc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000665280846 412225227 /nfs/dbraw/zinc/22/52/27/412225227.db2.gz NATJTVQYVAXTSV-GOEBONIOSA-N 1 3 248.414 3.327 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@@H](c1ccccc1)C1CC1 ZINC000665280847 412225062 /nfs/dbraw/zinc/22/50/62/412225062.db2.gz NBBXLDKZVAGSNF-CVEARBPZSA-N 1 3 246.398 3.101 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@H](c1ccccc1)C1CC1 ZINC000665280848 412224451 /nfs/dbraw/zinc/22/44/51/412224451.db2.gz NBBXLDKZVAGSNF-HZPDHXFCSA-N 1 3 246.398 3.101 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@H](c1ccccc1)C(C)C ZINC000665280989 412226598 /nfs/dbraw/zinc/22/65/98/412226598.db2.gz RDFAVROZBYNUBT-CVEARBPZSA-N 1 3 248.414 3.347 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@@H](c1ccccc1)C(C)C ZINC000665280990 412225860 /nfs/dbraw/zinc/22/58/60/412225860.db2.gz RDFAVROZBYNUBT-HZPDHXFCSA-N 1 3 248.414 3.347 20 0 BGADHO CCc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281050 412226563 /nfs/dbraw/zinc/22/65/63/412226563.db2.gz SMLRMLVQBRWIQG-CZUORRHYSA-N 1 3 248.414 3.273 20 0 BGADHO CCc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281051 412226186 /nfs/dbraw/zinc/22/61/86/412226186.db2.gz SMLRMLVQBRWIQG-XJKSGUPXSA-N 1 3 248.414 3.273 20 0 BGADHO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000665281149 412227011 /nfs/dbraw/zinc/22/70/11/412227011.db2.gz WDQQDLRMIUCGLN-BFHYXJOUSA-N 1 3 228.424 3.164 20 0 BGADHO CCC[C@@H](C)[C@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000665281150 412226221 /nfs/dbraw/zinc/22/62/21/412226221.db2.gz WDQQDLRMIUCGLN-MCIONIFRSA-N 1 3 228.424 3.164 20 0 BGADHO CCC[C@@H](C)[C@@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000665281151 412225744 /nfs/dbraw/zinc/22/57/44/412225744.db2.gz WDQQDLRMIUCGLN-MGPQQGTHSA-N 1 3 228.424 3.164 20 0 BGADHO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000665281152 412226406 /nfs/dbraw/zinc/22/64/06/412226406.db2.gz WDQQDLRMIUCGLN-MJBXVCDLSA-N 1 3 228.424 3.164 20 0 BGADHO Cc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)s1 ZINC000665281245 412226964 /nfs/dbraw/zinc/22/69/64/412226964.db2.gz YEIIBWKAWGIAQH-NWDGAFQWSA-N 1 3 240.416 3.081 20 0 BGADHO Cc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)s1 ZINC000665281246 412219572 /nfs/dbraw/zinc/21/95/72/412219572.db2.gz YEIIBWKAWGIAQH-VXGBXAGGSA-N 1 3 240.416 3.081 20 0 BGADHO Cc1cc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cs1 ZINC000665281397 412225887 /nfs/dbraw/zinc/22/58/87/412225887.db2.gz BAVDEWBHVKKILL-DGCLKSJQSA-N 1 3 240.416 3.081 20 0 BGADHO Cc1cc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cs1 ZINC000665281398 412226865 /nfs/dbraw/zinc/22/68/65/412226865.db2.gz BAVDEWBHVKKILL-WCQYABFASA-N 1 3 240.416 3.081 20 0 BGADHO CCCC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665281460 412225994 /nfs/dbraw/zinc/22/59/94/412225994.db2.gz DHBONGCUIFJPDM-BFHYXJOUSA-N 1 3 228.424 3.164 20 0 BGADHO CCCC[C@@H](C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665281461 412226682 /nfs/dbraw/zinc/22/66/82/412226682.db2.gz DHBONGCUIFJPDM-HZSPNIEDSA-N 1 3 228.424 3.164 20 0 BGADHO CCCC[C@H](C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665281462 412226442 /nfs/dbraw/zinc/22/64/42/412226442.db2.gz DHBONGCUIFJPDM-MELADBBJSA-N 1 3 228.424 3.164 20 0 BGADHO CCCC[C@@H](C)[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665281463 412226880 /nfs/dbraw/zinc/22/68/80/412226880.db2.gz DHBONGCUIFJPDM-MGPQQGTHSA-N 1 3 228.424 3.164 20 0 BGADHO CCC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1CCCC1 ZINC000665281518 412226121 /nfs/dbraw/zinc/22/61/21/412226121.db2.gz FQKXQCXODDMMDS-CABCVRRESA-N 1 3 240.435 3.308 20 0 BGADHO CCC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1CCCC1 ZINC000665281519 412226838 /nfs/dbraw/zinc/22/68/38/412226838.db2.gz FQKXQCXODDMMDS-HUUCEWRRSA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000665281530 412226305 /nfs/dbraw/zinc/22/63/05/412226305.db2.gz FSTLDGQJURAEDL-CHWSQXEVSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000665281531 412226207 /nfs/dbraw/zinc/22/62/07/412226207.db2.gz FSTLDGQJURAEDL-OLZOCXBDSA-N 1 3 240.416 3.162 20 0 BGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1cccc(C)c1 ZINC000665281622 412226380 /nfs/dbraw/zinc/22/63/80/412226380.db2.gz IAIWLMCSYKGXTG-CVEARBPZSA-N 1 3 248.414 3.409 20 0 BGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1cccc(C)c1 ZINC000665281623 412226925 /nfs/dbraw/zinc/22/69/25/412226925.db2.gz IAIWLMCSYKGXTG-HZPDHXFCSA-N 1 3 248.414 3.409 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000665281658 412226463 /nfs/dbraw/zinc/22/64/63/412226463.db2.gz JIOTUAFGOFENQJ-APIJFGDWSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@H]1CCCC[C@H]1C ZINC000665281659 412226955 /nfs/dbraw/zinc/22/69/55/412226955.db2.gz JIOTUAFGOFENQJ-CBBWQLFWSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000665281660 412225915 /nfs/dbraw/zinc/22/59/15/412225915.db2.gz JIOTUAFGOFENQJ-KBUPBQIOSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@@H]1CCCC[C@H]1C ZINC000665281661 412226177 /nfs/dbraw/zinc/22/61/77/412226177.db2.gz JIOTUAFGOFENQJ-LXTVHRRPSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCC(C)(C)C ZINC000665281839 412224952 /nfs/dbraw/zinc/22/49/52/412224952.db2.gz LNRPUMGOBBJUBX-CHWSQXEVSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000665281843 412224662 /nfs/dbraw/zinc/22/46/62/412224662.db2.gz LNRPUMGOBBJUBX-QWHCGFSZSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H](C)c2ccccc21 ZINC000665282061 412226934 /nfs/dbraw/zinc/22/69/34/412226934.db2.gz PXMQZWIKSAHZFA-APHBMKBZSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000665282062 412226239 /nfs/dbraw/zinc/22/62/39/412226239.db2.gz PXMQZWIKSAHZFA-DAXOMENPSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H](C)c2ccccc21 ZINC000665282063 412226890 /nfs/dbraw/zinc/22/68/90/412226890.db2.gz PXMQZWIKSAHZFA-MAZHCROVSA-N 1 3 246.398 3.198 20 0 BGADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](C)c2ccccc21 ZINC000665282064 412226234 /nfs/dbraw/zinc/22/62/34/412226234.db2.gz PXMQZWIKSAHZFA-WQVCFCJDSA-N 1 3 246.398 3.198 20 0 BGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665282157 410760561 /nfs/dbraw/zinc/76/05/61/410760561.db2.gz RWLQBSIVLRWFCU-GBJTYRQASA-N 1 3 240.435 3.164 20 0 BGADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665282158 410760078 /nfs/dbraw/zinc/76/00/78/410760078.db2.gz RWLQBSIVLRWFCU-KBUPBQIOSA-N 1 3 240.435 3.164 20 0 BGADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665282159 410760576 /nfs/dbraw/zinc/76/05/76/410760576.db2.gz RWLQBSIVLRWFCU-TUVASFSCSA-N 1 3 240.435 3.164 20 0 BGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665282160 410760256 /nfs/dbraw/zinc/76/02/56/410760256.db2.gz RWLQBSIVLRWFCU-YJNKXOJESA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000665282214 412227610 /nfs/dbraw/zinc/22/76/10/412227610.db2.gz TWVQTCWNVGLHHH-QLFBSQMISA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000665282215 412227663 /nfs/dbraw/zinc/22/76/63/412227663.db2.gz TWVQTCWNVGLHHH-RBSFLKMASA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000665282216 412227489 /nfs/dbraw/zinc/22/74/89/412227489.db2.gz TWVQTCWNVGLHHH-RRFJBIMHSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000665282217 412228143 /nfs/dbraw/zinc/22/81/43/412228143.db2.gz TWVQTCWNVGLHHH-SOUVJXGZSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)CC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1CC1 ZINC000665282371 412227480 /nfs/dbraw/zinc/22/74/80/412227480.db2.gz WQROKFQYRABYAK-CABCVRRESA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)CC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1CC1 ZINC000665282372 412228082 /nfs/dbraw/zinc/22/80/82/412228082.db2.gz WQROKFQYRABYAK-HUUCEWRRSA-N 1 3 240.435 3.164 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000665282412 412228130 /nfs/dbraw/zinc/22/81/30/412228130.db2.gz XPYHRGHZNOTESA-KGLIPLIRSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000665282413 412228211 /nfs/dbraw/zinc/22/82/11/412228211.db2.gz XPYHRGHZNOTESA-ZIAGYGMSSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)C1CCCCCC1 ZINC000665282453 412227633 /nfs/dbraw/zinc/22/76/33/412227633.db2.gz YORYIGDKPKMTBM-DZGCQCFKSA-N 1 3 240.435 3.308 20 0 BGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)C1CCCCCC1 ZINC000665282454 412227724 /nfs/dbraw/zinc/22/77/24/412227724.db2.gz YORYIGDKPKMTBM-UKRRQHHQSA-N 1 3 240.435 3.308 20 0 BGADHO Cc1cccc2c1CCC[C@@H]2N[C@H](C)C[C@@H](C)[NH3+] ZINC000665282872 491107868 /nfs/dbraw/zinc/10/78/68/491107868.db2.gz DGACACHSRRGRBY-IOASZLSFSA-N 1 3 246.398 3.088 20 0 BGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H](C)C[C@@H](C)[NH3+] ZINC000665282873 491107912 /nfs/dbraw/zinc/10/79/12/491107912.db2.gz DGACACHSRRGRBY-WWGRRREGSA-N 1 3 246.398 3.088 20 0 BGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H](C)C[C@H](C)[NH3+] ZINC000665282874 491107879 /nfs/dbraw/zinc/10/78/79/491107879.db2.gz DGACACHSRRGRBY-XEZPLFJOSA-N 1 3 246.398 3.088 20 0 BGADHO Cc1cccc2c1CCC[C@@H]2N[C@H](C)C[C@H](C)[NH3+] ZINC000665282875 491107943 /nfs/dbraw/zinc/10/79/43/491107943.db2.gz DGACACHSRRGRBY-ZENOOKHLSA-N 1 3 246.398 3.088 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283295 412230094 /nfs/dbraw/zinc/23/00/94/412230094.db2.gz LBKCMFZVKJEOHS-CZWNDGCPSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283296 412229338 /nfs/dbraw/zinc/22/93/38/412229338.db2.gz LBKCMFZVKJEOHS-HGWMRPEMSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283297 412229100 /nfs/dbraw/zinc/22/91/00/412229100.db2.gz LBKCMFZVKJEOHS-RMNLLRHXSA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283298 412228955 /nfs/dbraw/zinc/22/89/55/412228955.db2.gz LBKCMFZVKJEOHS-XOEAPDPESA-N 1 3 238.419 3.061 20 0 BGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCCC1 ZINC000665283875 410767022 /nfs/dbraw/zinc/76/70/22/410767022.db2.gz WPYIIXBGFNRPOH-BPLDGKMQSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)C1CCCCC1 ZINC000665283876 410765266 /nfs/dbraw/zinc/76/52/66/410765266.db2.gz WPYIIXBGFNRPOH-SNPRPXQTSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)C1CCCCC1 ZINC000665283877 410765499 /nfs/dbraw/zinc/76/54/99/410765499.db2.gz WPYIIXBGFNRPOH-VHDGCEQUSA-N 1 3 238.419 3.062 20 0 BGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)C1CCCCC1 ZINC000665283878 410765394 /nfs/dbraw/zinc/76/53/94/410765394.db2.gz WPYIIXBGFNRPOH-YUELXQCFSA-N 1 3 238.419 3.062 20 0 BGADHO CCc1ccc([C@@H]([NH2+][C@@H](C)CNC)C(C)C)cc1 ZINC000665296521 412242317 /nfs/dbraw/zinc/24/23/17/412242317.db2.gz UDNDPNNHEQLNKN-BBRMVZONSA-N 1 3 248.414 3.144 20 0 BGADHO CCc1ccc([C@@H]([NH2+][C@H](C)CNC)C(C)C)cc1 ZINC000665296522 412243188 /nfs/dbraw/zinc/24/31/88/412243188.db2.gz UDNDPNNHEQLNKN-CJNGLKHVSA-N 1 3 248.414 3.144 20 0 BGADHO CCc1ccc([C@H]([NH2+][C@H](C)CNC)C(C)C)cc1 ZINC000665296523 410809723 /nfs/dbraw/zinc/80/97/23/410809723.db2.gz UDNDPNNHEQLNKN-CZUORRHYSA-N 1 3 248.414 3.144 20 0 BGADHO CCc1ccc([C@H]([NH2+][C@@H](C)CNC)C(C)C)cc1 ZINC000665296524 410809510 /nfs/dbraw/zinc/80/95/10/410809510.db2.gz UDNDPNNHEQLNKN-XJKSGUPXSA-N 1 3 248.414 3.144 20 0 BGADHO C[NH2+]C[C@@H](C)NC1CCC2(CCCCC2)CC1 ZINC000665297414 412245111 /nfs/dbraw/zinc/24/51/11/412245111.db2.gz FOPNKWLJKPMWRU-CYBMUJFWSA-N 1 3 238.419 3.077 20 0 BGADHO C[NH2+]C[C@H](C)NC1CCC2(CCCCC2)CC1 ZINC000665297415 412244946 /nfs/dbraw/zinc/24/49/46/412244946.db2.gz FOPNKWLJKPMWRU-ZDUSSCGKSA-N 1 3 238.419 3.077 20 0 BGADHO CNC[C@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000665297757 410816381 /nfs/dbraw/zinc/81/63/81/410816381.db2.gz LGLVCIWELIGVJM-BBRMVZONSA-N 1 3 246.398 3.034 20 0 BGADHO CNC[C@@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000665297758 410819556 /nfs/dbraw/zinc/81/95/56/410819556.db2.gz LGLVCIWELIGVJM-CJNGLKHVSA-N 1 3 246.398 3.034 20 0 BGADHO CNC[C@@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000665297759 410818447 /nfs/dbraw/zinc/81/84/47/410818447.db2.gz LGLVCIWELIGVJM-CZUORRHYSA-N 1 3 246.398 3.034 20 0 BGADHO CNC[C@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000665297760 410819357 /nfs/dbraw/zinc/81/93/57/410819357.db2.gz LGLVCIWELIGVJM-XJKSGUPXSA-N 1 3 246.398 3.034 20 0 BGADHO C[NH2+]C[C@@H](C)N[C@H](CCC(C)C)C(C)(C)C ZINC000665298116 410822123 /nfs/dbraw/zinc/82/21/23/410822123.db2.gz SABLIKJVVKPWBV-CHWSQXEVSA-N 1 3 228.424 3.035 20 0 BGADHO C[NH2+]C[C@@H](C)N[C@@H](CCC(C)C)C(C)(C)C ZINC000665298117 410822445 /nfs/dbraw/zinc/82/24/45/410822445.db2.gz SABLIKJVVKPWBV-OLZOCXBDSA-N 1 3 228.424 3.035 20 0 BGADHO C[NH2+]C[C@H](C)N[C@H](CCC(C)C)C(C)(C)C ZINC000665298118 410822577 /nfs/dbraw/zinc/82/25/77/410822577.db2.gz SABLIKJVVKPWBV-QWHCGFSZSA-N 1 3 228.424 3.035 20 0 BGADHO C[NH2+]C[C@H](C)N[C@@H](CCC(C)C)C(C)(C)C ZINC000665298119 410824063 /nfs/dbraw/zinc/82/40/63/410824063.db2.gz SABLIKJVVKPWBV-STQMWFEESA-N 1 3 228.424 3.035 20 0 BGADHO CCC([NH3+])(CC)CNCC(C)(C)c1ccccc1 ZINC000666753779 487872889 /nfs/dbraw/zinc/87/28/89/487872889.db2.gz KURUQBFEMSOIQA-UHFFFAOYSA-N 1 3 248.414 3.071 20 0 BGADHO CCC(N)(CC)C[NH2+]Cc1ccccc1C1CC1 ZINC000666753818 487873304 /nfs/dbraw/zinc/87/33/04/487873304.db2.gz SCQKTSCPLAOIOX-UHFFFAOYSA-N 1 3 246.398 3.171 20 0 BGADHO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000666857625 487891180 /nfs/dbraw/zinc/89/11/80/487891180.db2.gz BIIDSRHWMSNXNS-DZGCQCFKSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCCNCC1 ZINC000666857626 487890992 /nfs/dbraw/zinc/89/09/92/487890992.db2.gz BIIDSRHWMSNXNS-HIFRSBDPSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000666857627 487890967 /nfs/dbraw/zinc/89/09/67/487890967.db2.gz BIIDSRHWMSNXNS-UKRRQHHQSA-N 1 3 238.419 3.077 20 0 BGADHO C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCCNCC1 ZINC000666857628 487890942 /nfs/dbraw/zinc/89/09/42/487890942.db2.gz BIIDSRHWMSNXNS-ZFWWWQNUSA-N 1 3 238.419 3.077 20 0 BGADHO CCCC[C@@H](CC)CC[NH2+][C@H]1CCCNCC1 ZINC000666857651 487890976 /nfs/dbraw/zinc/89/09/76/487890976.db2.gz COMRTGXPWIMAHH-CABCVRRESA-N 1 3 240.435 3.325 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@H]1CCCNCC1 ZINC000666857652 487890577 /nfs/dbraw/zinc/89/05/77/487890577.db2.gz COMRTGXPWIMAHH-GJZGRUSLSA-N 1 3 240.435 3.325 20 0 BGADHO CCCC[C@@H](CC)CC[NH2+][C@@H]1CCCNCC1 ZINC000666857653 487891036 /nfs/dbraw/zinc/89/10/36/487891036.db2.gz COMRTGXPWIMAHH-HUUCEWRRSA-N 1 3 240.435 3.325 20 0 BGADHO CCCC[C@H](CC)CC[NH2+][C@@H]1CCCNCC1 ZINC000666857654 487891012 /nfs/dbraw/zinc/89/10/12/487891012.db2.gz COMRTGXPWIMAHH-LSDHHAIUSA-N 1 3 240.435 3.325 20 0 BGADHO CCC1(C)CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000666857906 487892422 /nfs/dbraw/zinc/89/24/22/487892422.db2.gz PBFLIJIVDALJEK-NFOMZHRRSA-N 1 3 238.419 3.077 20 0 BGADHO CCC1(C)CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000666857907 487892080 /nfs/dbraw/zinc/89/20/80/487892080.db2.gz PBFLIJIVDALJEK-WLYUNCDWSA-N 1 3 238.419 3.077 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000666858119 487891721 /nfs/dbraw/zinc/89/17/21/487891721.db2.gz YIBOLGCZQXAKCL-KKUMJFAQSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000666858120 487892510 /nfs/dbraw/zinc/89/25/10/487892510.db2.gz YIBOLGCZQXAKCL-RRFJBIMHSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000666858121 487892179 /nfs/dbraw/zinc/89/21/79/487892179.db2.gz YIBOLGCZQXAKCL-SOUVJXGZSA-N 1 3 240.435 3.179 20 0 BGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000666858122 487892449 /nfs/dbraw/zinc/89/24/49/487892449.db2.gz YIBOLGCZQXAKCL-ZNMIVQPWSA-N 1 3 240.435 3.179 20 0 BGADHO C(CC1CCCCCC1)[NH2+][C@H]1CCCNCC1 ZINC000666859018 487893011 /nfs/dbraw/zinc/89/30/11/487893011.db2.gz WBQGPHSOZRLDFC-HNNXBMFYSA-N 1 3 238.419 3.079 20 0 BGADHO C(CC1CCCCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000666859019 487893177 /nfs/dbraw/zinc/89/31/77/487893177.db2.gz WBQGPHSOZRLDFC-OAHLLOKOSA-N 1 3 238.419 3.079 20 0 BGADHO C[C@H](CCCC[NH3+])NCc1cscc1Cl ZINC000666937612 487908708 /nfs/dbraw/zinc/90/87/08/487908708.db2.gz CNYJBWHURXHEIX-SECBINFHSA-N 1 3 246.807 3.009 20 0 BGADHO C[C@@H](CCCC[NH3+])NCc1cscc1Cl ZINC000666937613 487908674 /nfs/dbraw/zinc/90/86/74/487908674.db2.gz CNYJBWHURXHEIX-VIFPVBQESA-N 1 3 246.807 3.009 20 0 BGADHO CC(C)CC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995301 487924807 /nfs/dbraw/zinc/92/48/07/487924807.db2.gz JWFCLOULWBHNHT-KBPBESRZSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995302 487924568 /nfs/dbraw/zinc/92/45/68/487924568.db2.gz JWFCLOULWBHNHT-KGLIPLIRSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995303 487924777 /nfs/dbraw/zinc/92/47/77/487924777.db2.gz JWFCLOULWBHNHT-UONOGXRCSA-N 1 3 238.419 3.075 20 0 BGADHO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995304 487924605 /nfs/dbraw/zinc/92/46/05/487924605.db2.gz JWFCLOULWBHNHT-ZIAGYGMSSA-N 1 3 238.419 3.075 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995408 487924576 /nfs/dbraw/zinc/92/45/76/487924576.db2.gz NAYDKPDULRXYLU-KBPBESRZSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@@H](CC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995409 487924967 /nfs/dbraw/zinc/92/49/67/487924967.db2.gz NAYDKPDULRXYLU-KGLIPLIRSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@H](CC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995410 487924395 /nfs/dbraw/zinc/92/43/95/487924395.db2.gz NAYDKPDULRXYLU-UONOGXRCSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@@H](CC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995411 487924403 /nfs/dbraw/zinc/92/44/03/487924403.db2.gz NAYDKPDULRXYLU-ZIAGYGMSSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC(CCC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995616 487925262 /nfs/dbraw/zinc/92/52/62/487925262.db2.gz UIQRXFCHMYDTAA-AWEZNQCLSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC(CCC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995617 487924889 /nfs/dbraw/zinc/92/48/89/487924889.db2.gz UIQRXFCHMYDTAA-CQSZACIVSA-N 1 3 238.419 3.220 20 0 BGADHO CC(C)[NH2+]C1CCN(C[C@@H](C)C(C)(C)C)CC1 ZINC000670263237 487862166 /nfs/dbraw/zinc/86/21/66/487862166.db2.gz WUENHZISSVSFKX-CYBMUJFWSA-N 1 3 240.435 3.131 20 0 BGADHO CC(C)[NH2+]C1CCN(C[C@H](C)C(C)(C)C)CC1 ZINC000670263238 487862345 /nfs/dbraw/zinc/86/23/45/487862345.db2.gz WUENHZISSVSFKX-ZDUSSCGKSA-N 1 3 240.435 3.131 20 0 BGADHO C[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)C(C)(C)C ZINC000670270384 487885263 /nfs/dbraw/zinc/88/52/63/487885263.db2.gz YWXCUDAVWZQVKF-KBPBESRZSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)C(C)(C)C ZINC000670270384 487885259 /nfs/dbraw/zinc/88/52/59/487885259.db2.gz YWXCUDAVWZQVKF-KBPBESRZSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)C(C)(C)C ZINC000670270385 487885173 /nfs/dbraw/zinc/88/51/73/487885173.db2.gz YWXCUDAVWZQVKF-KGLIPLIRSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)C(C)(C)C ZINC000670270385 487885171 /nfs/dbraw/zinc/88/51/71/487885171.db2.gz YWXCUDAVWZQVKF-KGLIPLIRSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)C(C)(C)C ZINC000670270386 487885449 /nfs/dbraw/zinc/88/54/49/487885449.db2.gz YWXCUDAVWZQVKF-UONOGXRCSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)C(C)(C)C ZINC000670270386 487885444 /nfs/dbraw/zinc/88/54/44/487885444.db2.gz YWXCUDAVWZQVKF-UONOGXRCSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)C(C)(C)C ZINC000670270387 487885006 /nfs/dbraw/zinc/88/50/06/487885006.db2.gz YWXCUDAVWZQVKF-ZIAGYGMSSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)C(C)(C)C ZINC000670270387 487885000 /nfs/dbraw/zinc/88/50/00/487885000.db2.gz YWXCUDAVWZQVKF-ZIAGYGMSSA-N 1 3 240.435 3.085 20 0 BGADHO CC(C)(C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000674044663 487503910 /nfs/dbraw/zinc/50/39/10/487503910.db2.gz HIJRUBLPHGVYPP-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H](CC[NH+]1C2CCC1CC2)N1C2CCC1CC2 ZINC000676249807 487829687 /nfs/dbraw/zinc/82/96/87/487829687.db2.gz JKZDWEHFULTCKA-AXQFOSQISA-N 1 3 248.414 3.019 20 0 BGADHO C[C@H](CC[NH+]1C2CCC1CC2)N1C2CCC1CC2 ZINC000676249809 487829862 /nfs/dbraw/zinc/82/98/62/487829862.db2.gz JKZDWEHFULTCKA-DYCFOQDWSA-N 1 3 248.414 3.019 20 0 BGADHO CCCC[N@@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000678121116 488200377 /nfs/dbraw/zinc/20/03/77/488200377.db2.gz PVEQLLAOEKZMNU-UHFFFAOYSA-N 1 3 248.414 3.370 20 0 BGADHO CCCC[N@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000678121116 488200372 /nfs/dbraw/zinc/20/03/72/488200372.db2.gz PVEQLLAOEKZMNU-UHFFFAOYSA-N 1 3 248.414 3.370 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000683142096 488118169 /nfs/dbraw/zinc/11/81/69/488118169.db2.gz GLSYKBWAANVNOT-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCN(CC)CCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000683142097 488118062 /nfs/dbraw/zinc/11/80/62/488118062.db2.gz GLSYKBWAANVNOT-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000683142098 488117209 /nfs/dbraw/zinc/11/72/09/488117209.db2.gz GLSYKBWAANVNOT-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCN(CC)CCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000683142099 488116686 /nfs/dbraw/zinc/11/66/86/488116686.db2.gz GLSYKBWAANVNOT-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CCC(C)(C)CCN(C)CCC[NH+]1CCCC1 ZINC000685004252 487491239 /nfs/dbraw/zinc/49/12/39/487491239.db2.gz NHRSQODQROGVCY-UHFFFAOYSA-N 1 3 240.435 3.230 20 0 BGADHO C[C@H](c1ccccc1)N(C)C[C@H]1CCCC[NH2+]C1 ZINC000700305854 711988943 /nfs/dbraw/zinc/98/89/43/711988943.db2.gz NVFDAMSZMLTQJL-CABCVRRESA-N 1 3 246.398 3.069 20 0 BGADHO C[C@@H](c1ccccc1)N(C)C[C@H]1CCCC[NH2+]C1 ZINC000700305858 711988783 /nfs/dbraw/zinc/98/87/83/711988783.db2.gz NVFDAMSZMLTQJL-GJZGRUSLSA-N 1 3 246.398 3.069 20 0 BGADHO C[C@H](c1ccccc1)N(C)C[C@@H]1CCCC[NH2+]C1 ZINC000700305861 711989303 /nfs/dbraw/zinc/98/93/03/711989303.db2.gz NVFDAMSZMLTQJL-HUUCEWRRSA-N 1 3 246.398 3.069 20 0 BGADHO C[C@@H](c1ccccc1)N(C)C[C@@H]1CCCC[NH2+]C1 ZINC000700305864 711989348 /nfs/dbraw/zinc/98/93/48/711989348.db2.gz NVFDAMSZMLTQJL-LSDHHAIUSA-N 1 3 246.398 3.069 20 0 BGADHO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700787827 712005187 /nfs/dbraw/zinc/00/51/87/712005187.db2.gz NXZSBGRYWSSICY-KBPBESRZSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700787828 712005251 /nfs/dbraw/zinc/00/52/51/712005251.db2.gz NXZSBGRYWSSICY-KGLIPLIRSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700787829 712005381 /nfs/dbraw/zinc/00/53/81/712005381.db2.gz NXZSBGRYWSSICY-UONOGXRCSA-N 1 3 240.435 3.133 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700787830 712004834 /nfs/dbraw/zinc/00/48/34/712004834.db2.gz NXZSBGRYWSSICY-ZIAGYGMSSA-N 1 3 240.435 3.133 20 0 BGADHO CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700818920 712007590 /nfs/dbraw/zinc/00/75/90/712007590.db2.gz PFBXLJNMIYXCQK-CABCVRRESA-N 1 3 240.435 3.277 20 0 BGADHO CCCCC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700818921 712007141 /nfs/dbraw/zinc/00/71/41/712007141.db2.gz PFBXLJNMIYXCQK-GJZGRUSLSA-N 1 3 240.435 3.277 20 0 BGADHO CCCCC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700818922 712007972 /nfs/dbraw/zinc/00/79/72/712007972.db2.gz PFBXLJNMIYXCQK-HUUCEWRRSA-N 1 3 240.435 3.277 20 0 BGADHO CCCCC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700818923 712007659 /nfs/dbraw/zinc/00/76/59/712007659.db2.gz PFBXLJNMIYXCQK-LSDHHAIUSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)CCCC[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000703953578 712092966 /nfs/dbraw/zinc/09/29/66/712092966.db2.gz BKJOVJUJMGYZRC-HNNXBMFYSA-N 1 3 240.435 3.133 20 0 BGADHO CC(C)CCCC[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000703953580 712092940 /nfs/dbraw/zinc/09/29/40/712092940.db2.gz BKJOVJUJMGYZRC-OAHLLOKOSA-N 1 3 240.435 3.133 20 0 BGADHO CCC1([NH3+])CCN(Cc2cccc(C)c2C)CC1 ZINC000714758916 712497988 /nfs/dbraw/zinc/49/79/88/712497988.db2.gz PNKAAFYOUPUMCU-UHFFFAOYSA-N 1 3 246.398 3.007 20 0 BGADHO CCC1([NH3+])CCN(Cc2ccc(C)cc2C)CC1 ZINC000714759765 712497595 /nfs/dbraw/zinc/49/75/95/712497595.db2.gz XIZXQBKVRUPIFQ-UHFFFAOYSA-N 1 3 246.398 3.007 20 0 BGADHO CCC1([NH3+])CCN(Cc2c(C)cccc2C)CC1 ZINC000714759982 712498087 /nfs/dbraw/zinc/49/80/87/712498087.db2.gz VBSAGHZQCYPRQR-UHFFFAOYSA-N 1 3 246.398 3.007 20 0 BGADHO CCC1([NH3+])CCN(Cc2cc(C)ccc2C)CC1 ZINC000714760422 712498170 /nfs/dbraw/zinc/49/81/70/712498170.db2.gz ZTCIAGJVKUKGBA-UHFFFAOYSA-N 1 3 246.398 3.007 20 0 BGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)C(C)(C)C ZINC000715581315 712527321 /nfs/dbraw/zinc/52/73/21/712527321.db2.gz CAIVCFCRHJIIIG-HZSPNIEDSA-N 1 3 240.435 3.131 20 0 BGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)C(C)(C)C ZINC000715581318 712527440 /nfs/dbraw/zinc/52/74/40/712527440.db2.gz CAIVCFCRHJIIIG-MCIONIFRSA-N 1 3 240.435 3.131 20 0 BGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C(C)(C)C ZINC000715581321 712527174 /nfs/dbraw/zinc/52/71/74/712527174.db2.gz CAIVCFCRHJIIIG-MGPQQGTHSA-N 1 3 240.435 3.131 20 0 BGADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N(C)C)C1)C(C)(C)C ZINC000715581323 712527432 /nfs/dbraw/zinc/52/74/32/712527432.db2.gz CAIVCFCRHJIIIG-RDBSUJKOSA-N 1 3 240.435 3.131 20 0 BGADHO [NH3+][C@@H]1C[C@H](NCCCCC2CC2)c2ccccc21 ZINC000716384188 712557588 /nfs/dbraw/zinc/55/75/88/712557588.db2.gz FOVFGVDPOZFHPV-CVEARBPZSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@H]1C[C@H](NCCCCC2CC2)c2ccccc21 ZINC000716384189 712557656 /nfs/dbraw/zinc/55/76/56/712557656.db2.gz FOVFGVDPOZFHPV-HOTGVXAUSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NCCCCC2CC2)c2ccccc21 ZINC000716384190 712557553 /nfs/dbraw/zinc/55/75/53/712557553.db2.gz FOVFGVDPOZFHPV-HZPDHXFCSA-N 1 3 244.382 3.301 20 0 BGADHO [NH3+][C@H]1C[C@@H](NCCCCC2CC2)c2ccccc21 ZINC000716384192 712557542 /nfs/dbraw/zinc/55/75/42/712557542.db2.gz FOVFGVDPOZFHPV-JKSUJKDBSA-N 1 3 244.382 3.301 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723601084 711523626 /nfs/dbraw/zinc/52/36/26/711523626.db2.gz XXRYWVZBNJBDJS-AWEZNQCLSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723601086 711523523 /nfs/dbraw/zinc/52/35/23/711523523.db2.gz XXRYWVZBNJBDJS-CQSZACIVSA-N 1 3 238.419 3.029 20 0 BGADHO [NH3+][C@@H]1C[C@H](NCCC2CC=CC2)c2ccccc21 ZINC000724203873 711569748 /nfs/dbraw/zinc/56/97/48/711569748.db2.gz WDRXOOQLOMGZHR-CVEARBPZSA-N 1 3 242.366 3.077 20 0 BGADHO [NH3+][C@H]1C[C@H](NCCC2CC=CC2)c2ccccc21 ZINC000724203875 711569399 /nfs/dbraw/zinc/56/93/99/711569399.db2.gz WDRXOOQLOMGZHR-HOTGVXAUSA-N 1 3 242.366 3.077 20 0 BGADHO [NH3+][C@@H]1C[C@@H](NCCC2CC=CC2)c2ccccc21 ZINC000724203876 711569680 /nfs/dbraw/zinc/56/96/80/711569680.db2.gz WDRXOOQLOMGZHR-HZPDHXFCSA-N 1 3 242.366 3.077 20 0 BGADHO [NH3+][C@H]1C[C@@H](NCCC2CC=CC2)c2ccccc21 ZINC000724203877 711569440 /nfs/dbraw/zinc/56/94/40/711569440.db2.gz WDRXOOQLOMGZHR-JKSUJKDBSA-N 1 3 242.366 3.077 20 0 BGADHO CCCCCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000743855274 585141099 /nfs/dbraw/zinc/14/10/99/585141099.db2.gz JDJLZUIYFWISSV-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CCCCCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000743855274 585141098 /nfs/dbraw/zinc/14/10/98/585141098.db2.gz JDJLZUIYFWISSV-HNNXBMFYSA-N 1 3 240.435 3.373 20 0 BGADHO CCCCCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000743855275 585141365 /nfs/dbraw/zinc/14/13/65/585141365.db2.gz JDJLZUIYFWISSV-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CCCCCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000743855275 585141364 /nfs/dbraw/zinc/14/13/64/585141364.db2.gz JDJLZUIYFWISSV-OAHLLOKOSA-N 1 3 240.435 3.373 20 0 BGADHO CN(C)Cc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000768214806 585533974 /nfs/dbraw/zinc/53/39/74/585533974.db2.gz QKIRTWBNXUWMPD-UHFFFAOYSA-N 1 3 246.398 3.123 20 0 BGADHO CN(C)Cc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000768214806 585533973 /nfs/dbraw/zinc/53/39/73/585533973.db2.gz QKIRTWBNXUWMPD-UHFFFAOYSA-N 1 3 246.398 3.123 20 0 BGADHO CC(C)CC[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768262068 585534794 /nfs/dbraw/zinc/53/47/94/585534794.db2.gz FXFHHFKRFXTGGL-UHFFFAOYSA-N 1 3 248.414 3.226 20 0 BGADHO CC(C)CC[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768262068 585534793 /nfs/dbraw/zinc/53/47/93/585534793.db2.gz FXFHHFKRFXTGGL-UHFFFAOYSA-N 1 3 248.414 3.226 20 0 BGADHO CCC[C@H](C)[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768338806 585536018 /nfs/dbraw/zinc/53/60/18/585536018.db2.gz POZDAITXEWNJFQ-AWEZNQCLSA-N 1 3 248.414 3.369 20 0 BGADHO CCC[C@H](C)[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768338806 585536017 /nfs/dbraw/zinc/53/60/17/585536017.db2.gz POZDAITXEWNJFQ-AWEZNQCLSA-N 1 3 248.414 3.369 20 0 BGADHO CCC[C@@H](C)[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768338808 585536103 /nfs/dbraw/zinc/53/61/03/585536103.db2.gz POZDAITXEWNJFQ-CQSZACIVSA-N 1 3 248.414 3.369 20 0 BGADHO CCC[C@@H](C)[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768338808 585536102 /nfs/dbraw/zinc/53/61/02/585536102.db2.gz POZDAITXEWNJFQ-CQSZACIVSA-N 1 3 248.414 3.369 20 0 BGADHO CC[C@H](C)C[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768766334 585542636 /nfs/dbraw/zinc/54/26/36/585542636.db2.gz JIAXIKMPBCOPKX-AWEZNQCLSA-N 1 3 248.414 3.226 20 0 BGADHO CC[C@H](C)C[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768766334 585542635 /nfs/dbraw/zinc/54/26/35/585542635.db2.gz JIAXIKMPBCOPKX-AWEZNQCLSA-N 1 3 248.414 3.226 20 0 BGADHO CC[C@@H](C)C[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768766336 585542563 /nfs/dbraw/zinc/54/25/63/585542563.db2.gz JIAXIKMPBCOPKX-CQSZACIVSA-N 1 3 248.414 3.226 20 0 BGADHO CC[C@@H](C)C[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768766336 585542562 /nfs/dbraw/zinc/54/25/62/585542562.db2.gz JIAXIKMPBCOPKX-CQSZACIVSA-N 1 3 248.414 3.226 20 0 BGADHO CC(C)(C)N1CCC([NH2+]CCC2CCC2)CC1 ZINC000773037415 585629212 /nfs/dbraw/zinc/62/92/12/585629212.db2.gz VCELTUVYPBMFMC-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@@H](C)CN1CCC([NH2+]C2CCC2)CC1 ZINC000800974266 586238433 /nfs/dbraw/zinc/23/84/33/586238433.db2.gz HYKARVCHMURZFP-CYBMUJFWSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CN1CCC([NH2+]C2CCC2)CC1 ZINC000800974271 586238726 /nfs/dbraw/zinc/23/87/26/586238726.db2.gz HYKARVCHMURZFP-ZDUSSCGKSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)=CCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739167 586515882 /nfs/dbraw/zinc/51/58/82/586515882.db2.gz ZTOZKIWBRCNDLZ-UHFFFAOYSA-N 1 3 246.398 3.146 20 0 BGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCCCCCC1 ZINC000817888089 586831835 /nfs/dbraw/zinc/83/18/35/586831835.db2.gz AHFUISFEFSOINO-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1CCCCCCC1 ZINC000817888090 586831970 /nfs/dbraw/zinc/83/19/70/586831970.db2.gz AHFUISFEFSOINO-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](C[C@H](C)N)[NH2+]CC1CCCCCCC1 ZINC000817888091 586831746 /nfs/dbraw/zinc/83/17/46/586831746.db2.gz AHFUISFEFSOINO-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCCCCCC1 ZINC000817888092 586832349 /nfs/dbraw/zinc/83/23/49/586832349.db2.gz AHFUISFEFSOINO-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CCCCCCC1 ZINC000817888262 586831889 /nfs/dbraw/zinc/83/18/89/586831889.db2.gz CFBKRTUIQJFBTI-CABCVRRESA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCCCCCC1 ZINC000817888263 586832427 /nfs/dbraw/zinc/83/24/27/586832427.db2.gz CFBKRTUIQJFBTI-GJZGRUSLSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CCCCCCC1 ZINC000817888264 586832450 /nfs/dbraw/zinc/83/24/50/586832450.db2.gz CFBKRTUIQJFBTI-HUUCEWRRSA-N 1 3 238.419 3.064 20 0 BGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CCCCCCC1 ZINC000817888265 586832124 /nfs/dbraw/zinc/83/21/24/586832124.db2.gz CFBKRTUIQJFBTI-LSDHHAIUSA-N 1 3 238.419 3.064 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N ZINC000817891980 586832806 /nfs/dbraw/zinc/83/28/06/586832806.db2.gz ICOWJBPIOMFZFS-AGIUHOORSA-N 1 3 214.397 3.061 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)N ZINC000817891981 586833129 /nfs/dbraw/zinc/83/31/29/586833129.db2.gz ICOWJBPIOMFZFS-AVGNSLFASA-N 1 3 214.397 3.061 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)N ZINC000817891982 586833032 /nfs/dbraw/zinc/83/30/32/586833032.db2.gz ICOWJBPIOMFZFS-FRRDWIJNSA-N 1 3 214.397 3.061 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@H](C)C[C@H](C)N ZINC000817891983 586833351 /nfs/dbraw/zinc/83/33/51/586833351.db2.gz ICOWJBPIOMFZFS-RWMBFGLXSA-N 1 3 214.397 3.061 20 0 BGADHO CCCCC[C@@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000817893912 586833612 /nfs/dbraw/zinc/83/36/12/586833612.db2.gz HVIOJJMSGOJTFX-GXTWGEPZSA-N 1 3 240.435 3.179 20 0 BGADHO CCCCC[C@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000817893913 586833795 /nfs/dbraw/zinc/83/37/95/586833795.db2.gz HVIOJJMSGOJTFX-JSGCOSHPSA-N 1 3 240.435 3.179 20 0 BGADHO CCCCC[C@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000817893914 586834351 /nfs/dbraw/zinc/83/43/51/586834351.db2.gz HVIOJJMSGOJTFX-OCCSQVGLSA-N 1 3 240.435 3.179 20 0 BGADHO CCCCC[C@@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000817893915 586831275 /nfs/dbraw/zinc/83/12/75/586831275.db2.gz HVIOJJMSGOJTFX-TZMCWYRMSA-N 1 3 240.435 3.179 20 0 BGADHO CCCCC[C@H]([NH2+]C1CCNCC1)C(C)(C)C ZINC000817894328 586833934 /nfs/dbraw/zinc/83/39/34/586833934.db2.gz LLMYCOVPAOQOQN-AWEZNQCLSA-N 1 3 240.435 3.323 20 0 BGADHO CCCCC[C@@H]([NH2+]C1CCNCC1)C(C)(C)C ZINC000817894330 586834035 /nfs/dbraw/zinc/83/40/35/586834035.db2.gz LLMYCOVPAOQOQN-CQSZACIVSA-N 1 3 240.435 3.323 20 0 BGADHO CC(C)CCCCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000817894434 586833905 /nfs/dbraw/zinc/83/39/05/586833905.db2.gz YVJCVIAWMYABJA-KBPBESRZSA-N 1 3 228.424 3.308 20 0 BGADHO CC(C)CCCCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000817894435 586833880 /nfs/dbraw/zinc/83/38/80/586833880.db2.gz YVJCVIAWMYABJA-KGLIPLIRSA-N 1 3 228.424 3.308 20 0 BGADHO CC(C)CCCCCC[NH2+][C@H](C)C[C@H](C)N ZINC000817894436 586834100 /nfs/dbraw/zinc/83/41/00/586834100.db2.gz YVJCVIAWMYABJA-UONOGXRCSA-N 1 3 228.424 3.308 20 0 BGADHO CC(C)CCCCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000817894437 586833628 /nfs/dbraw/zinc/83/36/28/586833628.db2.gz YVJCVIAWMYABJA-ZIAGYGMSSA-N 1 3 228.424 3.308 20 0 BGADHO CCCCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817894884 586833662 /nfs/dbraw/zinc/83/36/62/586833662.db2.gz RTAMXEOMTLLTJR-GFCCVEGCSA-N 1 3 249.402 3.080 20 0 BGADHO CCCCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817894885 586834247 /nfs/dbraw/zinc/83/42/47/586834247.db2.gz RTAMXEOMTLLTJR-LBPRGKRZSA-N 1 3 249.402 3.080 20 0 BGADHO CCCCCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000817897791 586835507 /nfs/dbraw/zinc/83/55/07/586835507.db2.gz BBDJQCMCGOUYNI-CHWSQXEVSA-N 1 3 228.424 3.308 20 0 BGADHO CCCCCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000817897792 586835517 /nfs/dbraw/zinc/83/55/17/586835517.db2.gz BBDJQCMCGOUYNI-OLZOCXBDSA-N 1 3 228.424 3.308 20 0 BGADHO CCCCCC(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000817897793 586834954 /nfs/dbraw/zinc/83/49/54/586834954.db2.gz BBDJQCMCGOUYNI-QWHCGFSZSA-N 1 3 228.424 3.308 20 0 BGADHO CCCCCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000817897794 586835360 /nfs/dbraw/zinc/83/53/60/586835360.db2.gz BBDJQCMCGOUYNI-STQMWFEESA-N 1 3 228.424 3.308 20 0 BGADHO CCCCCC[C@H]1CCC[C@@H]1[NH2+]CCCN ZINC000817938667 586843969 /nfs/dbraw/zinc/84/39/69/586843969.db2.gz PDLJIWFFSXHZDV-KBPBESRZSA-N 1 3 226.408 3.064 20 0 BGADHO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CCCN ZINC000817938668 586844636 /nfs/dbraw/zinc/84/46/36/586844636.db2.gz PDLJIWFFSXHZDV-KGLIPLIRSA-N 1 3 226.408 3.064 20 0 BGADHO CCCCCC[C@H]1CCC[C@H]1[NH2+]CCCN ZINC000817938669 586843843 /nfs/dbraw/zinc/84/38/43/586843843.db2.gz PDLJIWFFSXHZDV-UONOGXRCSA-N 1 3 226.408 3.064 20 0 BGADHO CCCCCC[C@@H]1CCC[C@H]1[NH2+]CCCN ZINC000817938670 586843963 /nfs/dbraw/zinc/84/39/63/586843963.db2.gz PDLJIWFFSXHZDV-ZIAGYGMSSA-N 1 3 226.408 3.064 20 0 BGADHO CCCCC[C@@H]([NH2+]CCCNC)C(C)(C)C ZINC000817942636 586845141 /nfs/dbraw/zinc/84/51/41/586845141.db2.gz BSQSNHZYLPSMMU-CYBMUJFWSA-N 1 3 228.424 3.181 20 0 BGADHO CCCCC[C@H]([NH2+]CCCNC)C(C)(C)C ZINC000817942638 586845383 /nfs/dbraw/zinc/84/53/83/586845383.db2.gz BSQSNHZYLPSMMU-ZDUSSCGKSA-N 1 3 228.424 3.181 20 0 BGADHO CCCCC[C@@H]([NH2+]CC[C@H](C)N)C(C)(C)C ZINC000817951473 586845324 /nfs/dbraw/zinc/84/53/24/586845324.db2.gz FMXJRNKNKBPFJY-QWHCGFSZSA-N 1 3 228.424 3.308 20 0 BGADHO CCCCC[C@H]([NH2+]CC[C@H](C)N)C(C)(C)C ZINC000817951474 586845386 /nfs/dbraw/zinc/84/53/86/586845386.db2.gz FMXJRNKNKBPFJY-STQMWFEESA-N 1 3 228.424 3.308 20 0 BGADHO CC(C)NCCC[NH2+]C1CCCCCCC1 ZINC000817952381 586848216 /nfs/dbraw/zinc/84/82/16/586848216.db2.gz FHXWZTXFFQZFAA-UHFFFAOYSA-N 1 3 226.408 3.077 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817960209 586851509 /nfs/dbraw/zinc/85/15/09/586851509.db2.gz KECWOYDGSQEWAR-HNNXBMFYSA-N 1 3 246.398 3.089 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817960210 586851766 /nfs/dbraw/zinc/85/17/66/586851766.db2.gz KECWOYDGSQEWAR-OAHLLOKOSA-N 1 3 246.398 3.089 20 0 BGADHO CCC([NH3+])(CC)CN[C@H](C)CSC(C)(C)C ZINC000817961119 586851292 /nfs/dbraw/zinc/85/12/92/586851292.db2.gz XKKGHAUSUNQLSW-LLVKDONJSA-N 1 3 246.464 3.014 20 0 BGADHO CCC(N)(CC)C[NH2+][C@H](C)CSC(C)(C)C ZINC000817961119 586851291 /nfs/dbraw/zinc/85/12/91/586851291.db2.gz XKKGHAUSUNQLSW-LLVKDONJSA-N 1 3 246.464 3.014 20 0 BGADHO CCC([NH3+])(CC)CN[C@@H](C)CSC(C)(C)C ZINC000817961120 586851176 /nfs/dbraw/zinc/85/11/76/586851176.db2.gz XKKGHAUSUNQLSW-NSHDSACASA-N 1 3 246.464 3.014 20 0 BGADHO CCC(N)(CC)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000817961120 586851175 /nfs/dbraw/zinc/85/11/75/586851175.db2.gz XKKGHAUSUNQLSW-NSHDSACASA-N 1 3 246.464 3.014 20 0 BGADHO CCCCC[C@@H]([NH2+]C[C@H](C)CN)C(C)(C)C ZINC000817963694 586853806 /nfs/dbraw/zinc/85/38/06/586853806.db2.gz XCBBFXSBHPLXSR-CHWSQXEVSA-N 1 3 228.424 3.166 20 0 BGADHO CCCCC[C@H]([NH2+]C[C@H](C)CN)C(C)(C)C ZINC000817963695 586854442 /nfs/dbraw/zinc/85/44/42/586854442.db2.gz XCBBFXSBHPLXSR-OLZOCXBDSA-N 1 3 228.424 3.166 20 0 BGADHO CCCCC[C@@H]([NH2+]C[C@@H](C)CN)C(C)(C)C ZINC000817963697 586853718 /nfs/dbraw/zinc/85/37/18/586853718.db2.gz XCBBFXSBHPLXSR-QWHCGFSZSA-N 1 3 228.424 3.166 20 0 BGADHO CCCCC[C@H]([NH2+]C[C@@H](C)CN)C(C)(C)C ZINC000817963698 586853849 /nfs/dbraw/zinc/85/38/49/586853849.db2.gz XCBBFXSBHPLXSR-STQMWFEESA-N 1 3 228.424 3.166 20 0 BGADHO CCCC[C@@H](C[NH3+])N[C@H](C)CSC(C)(C)C ZINC000817964204 586853821 /nfs/dbraw/zinc/85/38/21/586853821.db2.gz ZJBCJLUYCMONHY-NEPJUHHUSA-N 1 3 246.464 3.014 20 0 BGADHO CCCC[C@H](C[NH3+])N[C@@H](C)CSC(C)(C)C ZINC000817964205 586853918 /nfs/dbraw/zinc/85/39/18/586853918.db2.gz ZJBCJLUYCMONHY-NWDGAFQWSA-N 1 3 246.464 3.014 20 0 BGADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CSC(C)(C)C ZINC000817964206 586853802 /nfs/dbraw/zinc/85/38/02/586853802.db2.gz ZJBCJLUYCMONHY-RYUDHWBXSA-N 1 3 246.464 3.014 20 0 BGADHO CCCC[C@H](C[NH3+])N[C@H](C)CSC(C)(C)C ZINC000817964207 586853840 /nfs/dbraw/zinc/85/38/40/586853840.db2.gz ZJBCJLUYCMONHY-VXGBXAGGSA-N 1 3 246.464 3.014 20 0 BGADHO CC[C@@H](N[C@@H](C)C[NH3+])c1cccc2ccccc21 ZINC000817970201 586857526 /nfs/dbraw/zinc/85/75/26/586857526.db2.gz OEFPBHMWYOLTHM-BLLLJJGKSA-N 1 3 242.366 3.228 20 0 BGADHO CC[C@H](N[C@@H](C)C[NH3+])c1cccc2ccccc21 ZINC000817970202 586858324 /nfs/dbraw/zinc/85/83/24/586858324.db2.gz OEFPBHMWYOLTHM-LRDDRELGSA-N 1 3 242.366 3.228 20 0 BGADHO CCCCC[C@@H]([NH2+]C[C@H](C)N)c1ccccc1 ZINC000817971923 586859057 /nfs/dbraw/zinc/85/90/57/586859057.db2.gz RLJLTJPMHOAYIZ-DZGCQCFKSA-N 1 3 234.387 3.245 20 0 BGADHO CCCCC[C@H]([NH2+]C[C@@H](C)N)c1ccccc1 ZINC000817971924 586859421 /nfs/dbraw/zinc/85/94/21/586859421.db2.gz RLJLTJPMHOAYIZ-HIFRSBDPSA-N 1 3 234.387 3.245 20 0 BGADHO CCCCC[C@@H]([NH2+]C[C@@H](C)N)c1ccccc1 ZINC000817971925 586858650 /nfs/dbraw/zinc/85/86/50/586858650.db2.gz RLJLTJPMHOAYIZ-UKRRQHHQSA-N 1 3 234.387 3.245 20 0 BGADHO CCCCC[C@H]([NH2+]C[C@H](C)N)c1ccccc1 ZINC000817971926 586858712 /nfs/dbraw/zinc/85/87/12/586858712.db2.gz RLJLTJPMHOAYIZ-ZFWWWQNUSA-N 1 3 234.387 3.245 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817986877 586862826 /nfs/dbraw/zinc/86/28/26/586862826.db2.gz VESHRRKZIDHTAQ-CHWSQXEVSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000817986878 586862831 /nfs/dbraw/zinc/86/28/31/586862831.db2.gz VESHRRKZIDHTAQ-OLZOCXBDSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817986879 586862495 /nfs/dbraw/zinc/86/24/95/586862495.db2.gz VESHRRKZIDHTAQ-QWHCGFSZSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000817986880 586862773 /nfs/dbraw/zinc/86/27/73/586862773.db2.gz VESHRRKZIDHTAQ-STQMWFEESA-N 1 3 238.419 3.075 20 0 BGADHO C1CC1N1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCC1)C2 ZINC000820805703 587073385 /nfs/dbraw/zinc/07/33/85/587073385.db2.gz PXVRHBDWWIKNNJ-VHRNVKJDSA-N 1 3 248.414 3.067 20 0 BGADHO CCCCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)N ZINC000841034239 584033294 /nfs/dbraw/zinc/03/32/94/584033294.db2.gz CFDFHQSIPPFVTR-RRFJBIMHSA-N 1 3 240.435 3.452 20 0 BGADHO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N ZINC000841034241 584033364 /nfs/dbraw/zinc/03/33/64/584033364.db2.gz CFDFHQSIPPFVTR-ZNMIVQPWSA-N 1 3 240.435 3.452 20 0 BGADHO CCCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000841056035 587940369 /nfs/dbraw/zinc/94/03/69/587940369.db2.gz AQNDFXGCINJNSN-CABCVRRESA-N 1 3 240.435 3.325 20 0 BGADHO CCCCCC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000841056036 587940757 /nfs/dbraw/zinc/94/07/57/587940757.db2.gz AQNDFXGCINJNSN-GJZGRUSLSA-N 1 3 240.435 3.325 20 0 BGADHO CCCCCC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000841056037 587940688 /nfs/dbraw/zinc/94/06/88/587940688.db2.gz AQNDFXGCINJNSN-HUUCEWRRSA-N 1 3 240.435 3.325 20 0 BGADHO CCCCCC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000841056038 587940657 /nfs/dbraw/zinc/94/06/57/587940657.db2.gz AQNDFXGCINJNSN-LSDHHAIUSA-N 1 3 240.435 3.325 20 0 BGADHO CCCCCC[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000841056142 584125929 /nfs/dbraw/zinc/12/59/29/584125929.db2.gz YNGIIUOSXFERRB-UONOGXRCSA-N 1 3 226.408 3.077 20 0 BGADHO CCCCCC[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000841056144 584125903 /nfs/dbraw/zinc/12/59/03/584125903.db2.gz YNGIIUOSXFERRB-ZIAGYGMSSA-N 1 3 226.408 3.077 20 0 BGADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCCCCCC2)C1 ZINC000841056668 587940855 /nfs/dbraw/zinc/94/08/55/587940855.db2.gz BIEZBYQIBOTKDM-CABCVRRESA-N 1 3 238.419 3.206 20 0 BGADHO N[C@H]1CCC[C@H]([NH2+]CC2CCCCCCC2)C1 ZINC000841056669 587940863 /nfs/dbraw/zinc/94/08/63/587940863.db2.gz BIEZBYQIBOTKDM-GJZGRUSLSA-N 1 3 238.419 3.206 20 0 BGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCCC2)C1 ZINC000841056670 587940460 /nfs/dbraw/zinc/94/04/60/587940460.db2.gz BIEZBYQIBOTKDM-HUUCEWRRSA-N 1 3 238.419 3.206 20 0 BGADHO N[C@H]1CCC[C@@H]([NH2+]CC2CCCCCCC2)C1 ZINC000841056672 587940916 /nfs/dbraw/zinc/94/09/16/587940916.db2.gz BIEZBYQIBOTKDM-LSDHHAIUSA-N 1 3 238.419 3.206 20 0 BGADHO C[C@]1(C[NH2+]C2CCCCCCC2)CCCNC1 ZINC000841057773 587940847 /nfs/dbraw/zinc/94/08/47/587940847.db2.gz QKLRNNHYUXYASX-HNNXBMFYSA-N 1 3 238.419 3.079 20 0 BGADHO C[C@@]1(C[NH2+]C2CCCCCCC2)CCCNC1 ZINC000841057777 587940751 /nfs/dbraw/zinc/94/07/51/587940751.db2.gz QKLRNNHYUXYASX-OAHLLOKOSA-N 1 3 238.419 3.079 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000841090161 587945962 /nfs/dbraw/zinc/94/59/62/587945962.db2.gz LZERJUZMWVQXMW-KBPBESRZSA-N 1 3 238.419 3.220 20 0 BGADHO CCCCC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000841090163 587945762 /nfs/dbraw/zinc/94/57/62/587945762.db2.gz LZERJUZMWVQXMW-KGLIPLIRSA-N 1 3 238.419 3.220 20 0 BGADHO CCCCC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000841090164 587945725 /nfs/dbraw/zinc/94/57/25/587945725.db2.gz LZERJUZMWVQXMW-UONOGXRCSA-N 1 3 238.419 3.220 20 0 BGADHO CCCCC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000841090167 587945370 /nfs/dbraw/zinc/94/53/70/587945370.db2.gz LZERJUZMWVQXMW-ZIAGYGMSSA-N 1 3 238.419 3.220 20 0 BGADHO [NH3+]CCCCCCNCc1cscc1Cl ZINC000843127830 588085128 /nfs/dbraw/zinc/08/51/28/588085128.db2.gz RETKFTBYHZWRKG-UHFFFAOYSA-N 1 3 246.807 3.010 20 0 BGADHO CCc1ccc([C@@H](C)NCCCCCC[NH3+])o1 ZINC000843342689 588101382 /nfs/dbraw/zinc/10/13/82/588101382.db2.gz SDVCTHMDGFWDLN-GFCCVEGCSA-N 1 3 238.375 3.012 20 0 BGADHO CCc1ccc([C@H](C)NCCCCCC[NH3+])o1 ZINC000843342690 588101496 /nfs/dbraw/zinc/10/14/96/588101496.db2.gz SDVCTHMDGFWDLN-LBPRGKRZSA-N 1 3 238.375 3.012 20 0 BGADHO Cc1cc([C@@H](C)NCCCCCC[NH3+])oc1C ZINC000843342972 588100729 /nfs/dbraw/zinc/10/07/29/588100729.db2.gz WALUNASSTZRDGU-GFCCVEGCSA-N 1 3 238.375 3.066 20 0 BGADHO Cc1cc([C@H](C)NCCCCCC[NH3+])oc1C ZINC000843342974 588100744 /nfs/dbraw/zinc/10/07/44/588100744.db2.gz WALUNASSTZRDGU-LBPRGKRZSA-N 1 3 238.375 3.066 20 0 BGADHO C1=C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000850359962 588540736 /nfs/dbraw/zinc/54/07/36/588540736.db2.gz XPZAIZAKVWHEBF-AWEZNQCLSA-N 1 3 248.414 3.092 20 0 BGADHO CC(C)[C@H](N)CC[NH2+]C1CCCCCCC1 ZINC000853247092 588728781 /nfs/dbraw/zinc/72/87/81/588728781.db2.gz BZSCRUFIRUDOCM-CQSZACIVSA-N 1 3 226.408 3.062 20 0 BGADHO CCCCCC[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000853247121 588729092 /nfs/dbraw/zinc/72/90/92/588729092.db2.gz DAFNFVSMSSSNAO-UONOGXRCSA-N 1 3 228.424 3.308 20 0 BGADHO CCCCCC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000853247122 588728722 /nfs/dbraw/zinc/72/87/22/588728722.db2.gz DAFNFVSMSSSNAO-ZIAGYGMSSA-N 1 3 228.424 3.308 20 0 BGADHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1CCCCC1 ZINC000854230773 588780820 /nfs/dbraw/zinc/78/08/20/588780820.db2.gz XZWGMHLLFLNQFD-CABCVRRESA-N 1 3 240.435 3.308 20 0 BGADHO CC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1CCCCC1 ZINC000854230774 588780808 /nfs/dbraw/zinc/78/08/08/588780808.db2.gz XZWGMHLLFLNQFD-HUUCEWRRSA-N 1 3 240.435 3.308 20 0 BGADHO CCCCC[C@@H](N[C@H](C)C[NH2+]C)C(C)(C)C ZINC000854233287 588781665 /nfs/dbraw/zinc/78/16/65/588781665.db2.gz YSQZAMIBKMJDPB-CHWSQXEVSA-N 1 3 228.424 3.179 20 0 BGADHO CCCCC[C@H](N[C@H](C)C[NH2+]C)C(C)(C)C ZINC000854233288 588781645 /nfs/dbraw/zinc/78/16/45/588781645.db2.gz YSQZAMIBKMJDPB-OLZOCXBDSA-N 1 3 228.424 3.179 20 0 BGADHO CCCCC[C@@H](N[C@@H](C)C[NH2+]C)C(C)(C)C ZINC000854233289 588781437 /nfs/dbraw/zinc/78/14/37/588781437.db2.gz YSQZAMIBKMJDPB-QWHCGFSZSA-N 1 3 228.424 3.179 20 0 BGADHO CCCCC[C@H](N[C@@H](C)C[NH2+]C)C(C)(C)C ZINC000854233290 588781490 /nfs/dbraw/zinc/78/14/90/588781490.db2.gz YSQZAMIBKMJDPB-STQMWFEESA-N 1 3 228.424 3.179 20 0 BGADHO CCCCCC[C@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N ZINC000857252766 588901550 /nfs/dbraw/zinc/90/15/50/588901550.db2.gz CFDFHQSIPPFVTR-KKUMJFAQSA-N 1 3 240.435 3.452 20 0 BGADHO CCCCCC[C@H]1CCC[C@H]1[NH2+]CC[C@H](C)N ZINC000857252767 588901564 /nfs/dbraw/zinc/90/15/64/588901564.db2.gz CFDFHQSIPPFVTR-SOUVJXGZSA-N 1 3 240.435 3.452 20 0 BGADHO CCCCCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1CC ZINC000863481758 589292597 /nfs/dbraw/zinc/29/25/97/589292597.db2.gz BEUJQBSANZNONX-HZSPNIEDSA-N 1 3 226.408 3.075 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1CC ZINC000863481759 589292591 /nfs/dbraw/zinc/29/25/91/589292591.db2.gz BEUJQBSANZNONX-MELADBBJSA-N 1 3 226.408 3.075 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@H]1CCNC12CCC2 ZINC000863482872 589292409 /nfs/dbraw/zinc/29/24/09/589292409.db2.gz MKOBMAVCCMRKGG-KBPBESRZSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@H](CCC)N[C@H]1CC[NH2+]C12CCC2 ZINC000863482872 589292408 /nfs/dbraw/zinc/29/24/08/589292408.db2.gz MKOBMAVCCMRKGG-KBPBESRZSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@@H](CCC)[NH2+][C@H]1CCNC12CCC2 ZINC000863482873 589292708 /nfs/dbraw/zinc/29/27/08/589292708.db2.gz MKOBMAVCCMRKGG-KGLIPLIRSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@@H](CCC)N[C@H]1CC[NH2+]C12CCC2 ZINC000863482873 589292707 /nfs/dbraw/zinc/29/27/07/589292707.db2.gz MKOBMAVCCMRKGG-KGLIPLIRSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@H](CCC)[NH2+][C@@H]1CCNC12CCC2 ZINC000863482874 589292430 /nfs/dbraw/zinc/29/24/30/589292430.db2.gz MKOBMAVCCMRKGG-UONOGXRCSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@H](CCC)N[C@@H]1CC[NH2+]C12CCC2 ZINC000863482874 589292429 /nfs/dbraw/zinc/29/24/29/589292429.db2.gz MKOBMAVCCMRKGG-UONOGXRCSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@@H](CCC)[NH2+][C@@H]1CCNC12CCC2 ZINC000863482875 589292828 /nfs/dbraw/zinc/29/28/28/589292828.db2.gz MKOBMAVCCMRKGG-ZIAGYGMSSA-N 1 3 238.419 3.220 20 0 BGADHO CCCC[C@@H](CCC)N[C@@H]1CC[NH2+]C12CCC2 ZINC000863482875 589292827 /nfs/dbraw/zinc/29/28/27/589292827.db2.gz MKOBMAVCCMRKGG-ZIAGYGMSSA-N 1 3 238.419 3.220 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000863483276 589293198 /nfs/dbraw/zinc/29/31/98/589293198.db2.gz UISUBLAKXUJLDB-KBPBESRZSA-N 1 3 238.419 3.220 20 0 BGADHO CCCCCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000863483277 583992255 /nfs/dbraw/zinc/99/22/55/583992255.db2.gz UISUBLAKXUJLDB-KGLIPLIRSA-N 1 3 238.419 3.220 20 0 BGADHO CCCCCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000863483278 583992119 /nfs/dbraw/zinc/99/21/19/583992119.db2.gz UISUBLAKXUJLDB-UONOGXRCSA-N 1 3 238.419 3.220 20 0 BGADHO CCCCCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000863483279 583992099 /nfs/dbraw/zinc/99/20/99/583992099.db2.gz UISUBLAKXUJLDB-ZIAGYGMSSA-N 1 3 238.419 3.220 20 0 BGADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1CC)C1CCCCC1 ZINC000863543661 589297301 /nfs/dbraw/zinc/29/73/01/589297301.db2.gz UTVDTPCOCDNAOE-QLFBSQMISA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)C1CCCCC1 ZINC000863543661 589297300 /nfs/dbraw/zinc/29/73/00/589297300.db2.gz UTVDTPCOCDNAOE-QLFBSQMISA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)C1CCCCC1 ZINC000863543662 589297353 /nfs/dbraw/zinc/29/73/53/589297353.db2.gz UTVDTPCOCDNAOE-SOUVJXGZSA-N 1 3 238.419 3.075 20 0 BGADHO CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)C1CCCCC1 ZINC000863543662 589297351 /nfs/dbraw/zinc/29/73/51/589297351.db2.gz UTVDTPCOCDNAOE-SOUVJXGZSA-N 1 3 238.419 3.075 20 0 BGADHO C[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)CC(C)(C)C ZINC000866665743 589509405 /nfs/dbraw/zinc/50/94/05/589509405.db2.gz GCQLCBPPTZCKDZ-CHWSQXEVSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@@H](C[NH2+][C@H]1CCNCC1(C)C)CC(C)(C)C ZINC000866665744 589509831 /nfs/dbraw/zinc/50/98/31/589509831.db2.gz GCQLCBPPTZCKDZ-OLZOCXBDSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@H](C[NH2+][C@@H]1CCNCC1(C)C)CC(C)(C)C ZINC000866665745 589509922 /nfs/dbraw/zinc/50/99/22/589509922.db2.gz GCQLCBPPTZCKDZ-QWHCGFSZSA-N 1 3 240.435 3.036 20 0 BGADHO C[C@H](C[NH2+][C@H]1CCNCC1(C)C)CC(C)(C)C ZINC000866665746 589509545 /nfs/dbraw/zinc/50/95/45/589509545.db2.gz GCQLCBPPTZCKDZ-STQMWFEESA-N 1 3 240.435 3.036 20 0 BGADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)CC ZINC000872054504 589861850 /nfs/dbraw/zinc/86/18/50/589861850.db2.gz XKLZEBMDEQOXLK-AWEZNQCLSA-N 1 3 238.419 3.053 20 0 BGADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)CC ZINC000872054505 589862350 /nfs/dbraw/zinc/86/23/50/589862350.db2.gz XKLZEBMDEQOXLK-CQSZACIVSA-N 1 3 238.419 3.053 20 0 BGADHO CC[C@H](C)[NH+]1CCC(C)(N2CCCCC2)CC1 ZINC000872103242 589871135 /nfs/dbraw/zinc/87/11/35/589871135.db2.gz YCSLYOXDXFXFCN-AWEZNQCLSA-N 1 3 238.419 3.125 20 0 BGADHO CC[C@@H](C)[NH+]1CCC(C)(N2CCCCC2)CC1 ZINC000872103244 589871230 /nfs/dbraw/zinc/87/12/30/589871230.db2.gz YCSLYOXDXFXFCN-CQSZACIVSA-N 1 3 238.419 3.125 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000873246460 590006669 /nfs/dbraw/zinc/00/66/69/590006669.db2.gz ZDPSVXWAUMILMF-CHWSQXEVSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000873246461 590007027 /nfs/dbraw/zinc/00/70/27/590007027.db2.gz ZDPSVXWAUMILMF-OLZOCXBDSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000873246462 590006705 /nfs/dbraw/zinc/00/67/05/590006705.db2.gz ZDPSVXWAUMILMF-QWHCGFSZSA-N 1 3 240.435 3.179 20 0 BGADHO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000873246463 590006200 /nfs/dbraw/zinc/00/62/00/590006200.db2.gz ZDPSVXWAUMILMF-STQMWFEESA-N 1 3 240.435 3.179 20 0 BGADHO C[C@@H](CN1CCC([NH+](C)C)CC1)CC(C)(C)C ZINC000877959724 590458829 /nfs/dbraw/zinc/45/88/29/590458829.db2.gz RXOMVFZBRQWAGI-CYBMUJFWSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@H](CN1CCC([NH+](C)C)CC1)CC(C)(C)C ZINC000877959725 590458589 /nfs/dbraw/zinc/45/85/89/590458589.db2.gz RXOMVFZBRQWAGI-ZDUSSCGKSA-N 1 3 240.435 3.085 20 0 BGADHO C=C/C=C/CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878119968 590498674 /nfs/dbraw/zinc/49/86/74/590498674.db2.gz DFXUVQVKHCTYJK-CWDCEQMOSA-N 1 3 248.414 3.069 20 0 BGADHO C=C/C=C\CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878119970 590499114 /nfs/dbraw/zinc/49/91/14/590499114.db2.gz DFXUVQVKHCTYJK-MJSXRHKHSA-N 1 3 248.414 3.069 20 0 BGADHO C=C/C=C/CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878119972 590499541 /nfs/dbraw/zinc/49/95/41/590499541.db2.gz DFXUVQVKHCTYJK-QDLOVBKTSA-N 1 3 248.414 3.069 20 0 BGADHO C=C/C=C\CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878119973 590499201 /nfs/dbraw/zinc/49/92/01/590499201.db2.gz DFXUVQVKHCTYJK-QGZUEGPWSA-N 1 3 248.414 3.069 20 0 BGADHO CCCCCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473295 591054611 /nfs/dbraw/zinc/05/46/11/591054611.db2.gz VABVMWMJMNYAAE-UHFFFAOYSA-N 1 3 238.419 3.127 20 0 BGADHO CCC[C@H](C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883251632 591592944 /nfs/dbraw/zinc/59/29/44/591592944.db2.gz WULUBJDHMSTRKM-KKUMJFAQSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883251632 591592942 /nfs/dbraw/zinc/59/29/42/591592942.db2.gz WULUBJDHMSTRKM-KKUMJFAQSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000883251632 591592939 /nfs/dbraw/zinc/59/29/39/591592939.db2.gz WULUBJDHMSTRKM-KKUMJFAQSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883251633 591592259 /nfs/dbraw/zinc/59/22/59/591592259.db2.gz WULUBJDHMSTRKM-RRFJBIMHSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883251633 591592257 /nfs/dbraw/zinc/59/22/57/591592257.db2.gz WULUBJDHMSTRKM-RRFJBIMHSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000883251633 591592255 /nfs/dbraw/zinc/59/22/55/591592255.db2.gz WULUBJDHMSTRKM-RRFJBIMHSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883251634 591592673 /nfs/dbraw/zinc/59/26/73/591592673.db2.gz WULUBJDHMSTRKM-SOUVJXGZSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883251634 591592670 /nfs/dbraw/zinc/59/26/70/591592670.db2.gz WULUBJDHMSTRKM-SOUVJXGZSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000883251634 591592666 /nfs/dbraw/zinc/59/26/66/591592666.db2.gz WULUBJDHMSTRKM-SOUVJXGZSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883251635 591592272 /nfs/dbraw/zinc/59/22/72/591592272.db2.gz WULUBJDHMSTRKM-ZNMIVQPWSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883251635 591592270 /nfs/dbraw/zinc/59/22/70/591592270.db2.gz WULUBJDHMSTRKM-ZNMIVQPWSA-N 1 3 238.419 3.029 20 0 BGADHO CCC[C@H](C)CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000883251635 591592268 /nfs/dbraw/zinc/59/22/68/591592268.db2.gz WULUBJDHMSTRKM-ZNMIVQPWSA-N 1 3 238.419 3.029 20 0 BGADHO CCCCC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886711213 592308169 /nfs/dbraw/zinc/30/81/69/592308169.db2.gz OYWFVBIEKCIFTJ-UHFFFAOYSA-N 1 3 238.419 3.127 20 0 BGADHO CCCCCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000886711213 592308163 /nfs/dbraw/zinc/30/81/63/592308163.db2.gz OYWFVBIEKCIFTJ-UHFFFAOYSA-N 1 3 238.419 3.127 20 0 BGADHO CCC1(N2CCC2)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000886711214 592307802 /nfs/dbraw/zinc/30/78/02/592307802.db2.gz OYWIFSVFWLGDRJ-HNNXBMFYSA-N 1 3 248.414 3.045 20 0 BGADHO CCC1(N2CCC2)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000886711215 592309679 /nfs/dbraw/zinc/30/96/79/592309679.db2.gz OYWIFSVFWLGDRJ-OAHLLOKOSA-N 1 3 248.414 3.045 20 0 BGADHO CCC[C@H](C)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000886718256 592310743 /nfs/dbraw/zinc/31/07/43/592310743.db2.gz VCOURVSMOWXUOU-AWEZNQCLSA-N 1 3 238.419 3.125 20 0 BGADHO CCC[C@@H](C)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000886718257 592309901 /nfs/dbraw/zinc/30/99/01/592309901.db2.gz VCOURVSMOWXUOU-CQSZACIVSA-N 1 3 238.419 3.125 20 0 BGADHO C=C/C=C/CC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886720092 592310898 /nfs/dbraw/zinc/31/08/98/592310898.db2.gz RYOJOYFFSZCDCN-AATRIKPKSA-N 1 3 248.414 3.069 20 0 BGADHO C=C/C=C\CC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886720093 592310768 /nfs/dbraw/zinc/31/07/68/592310768.db2.gz RYOJOYFFSZCDCN-WAYWQWQTSA-N 1 3 248.414 3.069 20 0 BGADHO C[C@H](CC[NH2+]C1CC2(C1)CCCCC2)N(C)C ZINC000895291309 636131981 /nfs/dbraw/zinc/13/19/81/636131981.db2.gz CDQAOWNQRABHCL-CYBMUJFWSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@@H](CC[NH2+]C1CC2(C1)CCCCC2)N(C)C ZINC000895291310 636131912 /nfs/dbraw/zinc/13/19/12/636131912.db2.gz CDQAOWNQRABHCL-ZDUSSCGKSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895297146 583641219 /nfs/dbraw/zinc/64/12/19/583641219.db2.gz SRQNOMOXCIIZRD-KBPBESRZSA-N 1 3 226.408 3.051 20 0 BGADHO CC(C)=CCC[C@@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895297147 583641320 /nfs/dbraw/zinc/64/13/20/583641320.db2.gz SRQNOMOXCIIZRD-KGLIPLIRSA-N 1 3 226.408 3.051 20 0 BGADHO CC(C)=CCC[C@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000895297148 583641517 /nfs/dbraw/zinc/64/15/17/583641517.db2.gz SRQNOMOXCIIZRD-UONOGXRCSA-N 1 3 226.408 3.051 20 0 BGADHO CC(C)=CCC[C@@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000895297149 583641278 /nfs/dbraw/zinc/64/12/78/583641278.db2.gz SRQNOMOXCIIZRD-ZIAGYGMSSA-N 1 3 226.408 3.051 20 0 BGADHO C[C@H](CC[NH2+][C@@H](C)[C@H](C)c1ccccc1)N(C)C ZINC000895297444 583641416 /nfs/dbraw/zinc/64/14/16/583641416.db2.gz WDANLMBQTZIEJY-ILXRZTDVSA-N 1 3 248.414 3.108 20 0 BGADHO C[C@H](CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1)N(C)C ZINC000895297446 583641397 /nfs/dbraw/zinc/64/13/97/583641397.db2.gz WDANLMBQTZIEJY-KFWWJZLASA-N 1 3 248.414 3.108 20 0 BGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895297448 583641455 /nfs/dbraw/zinc/64/14/55/583641455.db2.gz WDANLMBQTZIEJY-KKUMJFAQSA-N 1 3 248.414 3.108 20 0 BGADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1)N(C)C ZINC000895297449 583641330 /nfs/dbraw/zinc/64/13/30/583641330.db2.gz WDANLMBQTZIEJY-ZNMIVQPWSA-N 1 3 248.414 3.108 20 0 BGADHO C/C(=C/c1ccccc1)C[NH2+]CC[C@@H](C)N(C)C ZINC000895298180 583640145 /nfs/dbraw/zinc/64/01/45/583640145.db2.gz UAILGUHTPMTTEO-IKESIWSLSA-N 1 3 246.398 3.020 20 0 BGADHO C/C(=C\c1ccccc1)C[NH2+]CC[C@@H](C)N(C)C ZINC000895298181 583640471 /nfs/dbraw/zinc/64/04/71/583640471.db2.gz UAILGUHTPMTTEO-OKFGHLOFSA-N 1 3 246.398 3.020 20 0 BGADHO C/C(=C\c1ccccc1)C[NH2+]CC[C@H](C)N(C)C ZINC000895298182 583640377 /nfs/dbraw/zinc/64/03/77/583640377.db2.gz UAILGUHTPMTTEO-ZQHYZAEZSA-N 1 3 246.398 3.020 20 0 BGADHO C/C(=C/c1ccccc1)C[NH2+]CC[C@H](C)N(C)C ZINC000895298183 583640096 /nfs/dbraw/zinc/64/00/96/583640096.db2.gz UAILGUHTPMTTEO-ZSMUJPCHSA-N 1 3 246.398 3.020 20 0 BGADHO CC(C)(C)CCN1CCC([NH2+]C2CCC2)CC1 ZINC000897981115 636853361 /nfs/dbraw/zinc/85/33/61/636853361.db2.gz HSXQSUBECIOLHE-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(CC)C[NH+]1CCC(NC2CCC2)CC1 ZINC000897982218 584072494 /nfs/dbraw/zinc/07/24/94/584072494.db2.gz YKWCLUSABGLMHJ-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CCC(CC)CN1CCC([NH2+]C2CCC2)CC1 ZINC000897982218 584072490 /nfs/dbraw/zinc/07/24/90/584072490.db2.gz YKWCLUSABGLMHJ-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO CC(C)C(C)(C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902377491 584568574 /nfs/dbraw/zinc/56/85/74/584568574.db2.gz QVZPZPHPIDPDFJ-CYBMUJFWSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)C(C)(C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902377493 584568495 /nfs/dbraw/zinc/56/84/95/584568495.db2.gz QVZPZPHPIDPDFJ-ZDUSSCGKSA-N 1 3 240.435 3.036 20 0 BGADHO CC(C)(CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000902433331 584596095 /nfs/dbraw/zinc/59/60/95/584596095.db2.gz SJFUJHCEVJPIEL-CABCVRRESA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)(CN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000902433332 584595852 /nfs/dbraw/zinc/59/58/52/584595852.db2.gz SJFUJHCEVJPIEL-GJZGRUSLSA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000902433333 584596112 /nfs/dbraw/zinc/59/61/12/584596112.db2.gz SJFUJHCEVJPIEL-HUUCEWRRSA-N 1 3 244.382 3.157 20 0 BGADHO CC(C)(CN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000902433335 584596188 /nfs/dbraw/zinc/59/61/88/584596188.db2.gz SJFUJHCEVJPIEL-LSDHHAIUSA-N 1 3 244.382 3.157 20 0 BGADHO C[C@@H]1CC=CC[C@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000902501373 584620819 /nfs/dbraw/zinc/62/08/19/584620819.db2.gz ASMPOSMIIYCOTQ-CAPXZKIUSA-N 1 3 242.366 3.076 20 0 BGADHO C[C@@H]1CC=CC[C@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000902501377 584620472 /nfs/dbraw/zinc/62/04/72/584620472.db2.gz ASMPOSMIIYCOTQ-MPESAESLSA-N 1 3 242.366 3.076 20 0 BGADHO C[C@@H]1CC=CC[C@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000902501378 584620857 /nfs/dbraw/zinc/62/08/57/584620857.db2.gz ASMPOSMIIYCOTQ-MSQAHXEGSA-N 1 3 242.366 3.076 20 0 BGADHO C[C@@H]1CC=CC[C@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000902501380 584620726 /nfs/dbraw/zinc/62/07/26/584620726.db2.gz ASMPOSMIIYCOTQ-RAEVTNRLSA-N 1 3 242.366 3.076 20 0 BGADHO CC(C)=CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903157296 584731209 /nfs/dbraw/zinc/73/12/09/584731209.db2.gz CPBXPGRMFVRCPA-VHRNVKJDSA-N 1 3 248.414 3.090 20 0 BGADHO CC(C)=CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903157296 584731208 /nfs/dbraw/zinc/73/12/08/584731208.db2.gz CPBXPGRMFVRCPA-VHRNVKJDSA-N 1 3 248.414 3.090 20 0 BGADHO CC(C)c1ccccc1CN1CCC(C)([NH3+])CC1 ZINC000903745973 584793967 /nfs/dbraw/zinc/79/39/67/584793967.db2.gz UAYRVMWMGCXJEE-UHFFFAOYSA-N 1 3 246.398 3.123 20 0 BGADHO CC(C)c1ccccc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903768183 584798031 /nfs/dbraw/zinc/79/80/31/584798031.db2.gz LNNPWSFBFDXYKS-DZGCQCFKSA-N 1 3 246.398 3.122 20 0 BGADHO CC(C)c1ccccc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000903768184 584798264 /nfs/dbraw/zinc/79/82/64/584798264.db2.gz LNNPWSFBFDXYKS-HIFRSBDPSA-N 1 3 246.398 3.122 20 0 BGADHO CC(C)c1ccccc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000903768185 584798027 /nfs/dbraw/zinc/79/80/27/584798027.db2.gz LNNPWSFBFDXYKS-UKRRQHHQSA-N 1 3 246.398 3.122 20 0 BGADHO CC(C)c1ccccc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000903768186 584798270 /nfs/dbraw/zinc/79/82/70/584798270.db2.gz LNNPWSFBFDXYKS-ZFWWWQNUSA-N 1 3 246.398 3.122 20 0 BGADHO CCC(C)(CC)[NH2+]Cc1cccc2c1CCNC2 ZINC000903897851 584819846 /nfs/dbraw/zinc/81/98/46/584819846.db2.gz HNQGXBIGUQSFAV-UHFFFAOYSA-N 1 3 246.398 3.001 20 0 BGADHO CCCC(C)(C)[NH2+]Cc1cccc2c1CCNC2 ZINC000903899833 584820402 /nfs/dbraw/zinc/82/04/02/584820402.db2.gz WGOCVGCWYDUHER-UHFFFAOYSA-N 1 3 246.398 3.001 20 0 BGADHO Cc1ccc(CC[C@H](C)[NH2+]CCC(C)(C)N)cc1 ZINC000903938754 584827196 /nfs/dbraw/zinc/82/71/96/584827196.db2.gz JHEKDGLMIMGCDW-AWEZNQCLSA-N 1 3 248.414 3.033 20 0 BGADHO Cc1ccc(CC[C@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000903938754 584827194 /nfs/dbraw/zinc/82/71/94/584827194.db2.gz JHEKDGLMIMGCDW-AWEZNQCLSA-N 1 3 248.414 3.033 20 0 BGADHO Cc1ccc(CC[C@@H](C)[NH2+]CCC(C)(C)N)cc1 ZINC000903938759 584827122 /nfs/dbraw/zinc/82/71/22/584827122.db2.gz JHEKDGLMIMGCDW-CQSZACIVSA-N 1 3 248.414 3.033 20 0 BGADHO Cc1ccc(CC[C@@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000903938759 584827121 /nfs/dbraw/zinc/82/71/21/584827121.db2.gz JHEKDGLMIMGCDW-CQSZACIVSA-N 1 3 248.414 3.033 20 0 BGADHO CCC[C@@H](C[NH2+]CCC(C)(C)N)c1ccccc1 ZINC000903938812 584827041 /nfs/dbraw/zinc/82/70/41/584827041.db2.gz LNPTXWZXRIIEMX-HNNXBMFYSA-N 1 3 248.414 3.287 20 0 BGADHO CCC[C@@H](CNCCC(C)(C)[NH3+])c1ccccc1 ZINC000903938812 584827040 /nfs/dbraw/zinc/82/70/40/584827040.db2.gz LNPTXWZXRIIEMX-HNNXBMFYSA-N 1 3 248.414 3.287 20 0 BGADHO CCC[C@H](C[NH2+]CCC(C)(C)N)c1ccccc1 ZINC000903938814 584827163 /nfs/dbraw/zinc/82/71/63/584827163.db2.gz LNPTXWZXRIIEMX-OAHLLOKOSA-N 1 3 248.414 3.287 20 0 BGADHO CCC[C@H](CNCCC(C)(C)[NH3+])c1ccccc1 ZINC000903938814 584827161 /nfs/dbraw/zinc/82/71/61/584827161.db2.gz LNPTXWZXRIIEMX-OAHLLOKOSA-N 1 3 248.414 3.287 20 0 BGADHO CC(C)([NH3+])CCNCc1cc2ccccc2s1 ZINC000903939205 584823638 /nfs/dbraw/zinc/82/36/38/584823638.db2.gz VLHITNHPSWKLAP-UHFFFAOYSA-N 1 3 248.395 3.118 20 0 BGADHO CCC1(C)CCC([NH2+]CCC(C)(C)N)CC1 ZINC000903939207 584823691 /nfs/dbraw/zinc/82/36/91/584823691.db2.gz VQNRSASPMKGBRX-UHFFFAOYSA-N 1 3 226.408 3.062 20 0 BGADHO Cc1cccc(CC[C@H](C)[NH2+]CCC(C)(C)N)c1 ZINC000903939751 584829002 /nfs/dbraw/zinc/82/90/02/584829002.db2.gz LRZVTJOEYNIIHH-AWEZNQCLSA-N 1 3 248.414 3.033 20 0 BGADHO Cc1cccc(CC[C@H](C)NCCC(C)(C)[NH3+])c1 ZINC000903939751 584829001 /nfs/dbraw/zinc/82/90/01/584829001.db2.gz LRZVTJOEYNIIHH-AWEZNQCLSA-N 1 3 248.414 3.033 20 0 BGADHO Cc1cccc(CC[C@@H](C)[NH2+]CCC(C)(C)N)c1 ZINC000903939752 584828819 /nfs/dbraw/zinc/82/88/19/584828819.db2.gz LRZVTJOEYNIIHH-CQSZACIVSA-N 1 3 248.414 3.033 20 0 BGADHO Cc1cccc(CC[C@@H](C)NCCC(C)(C)[NH3+])c1 ZINC000903939752 584828817 /nfs/dbraw/zinc/82/88/17/584828817.db2.gz LRZVTJOEYNIIHH-CQSZACIVSA-N 1 3 248.414 3.033 20 0 BGADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCC(C)(C)N ZINC000903939810 584828759 /nfs/dbraw/zinc/82/87/59/584828759.db2.gz NJFAAPUQXNNQAD-CHWSQXEVSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCC(C)(C)N ZINC000903939811 584829237 /nfs/dbraw/zinc/82/92/37/584829237.db2.gz NJFAAPUQXNNQAD-OLZOCXBDSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCC(C)(C)N ZINC000903939812 584829023 /nfs/dbraw/zinc/82/90/23/584829023.db2.gz NJFAAPUQXNNQAD-QWHCGFSZSA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCC(C)(C)N ZINC000903939813 584828900 /nfs/dbraw/zinc/82/89/00/584828900.db2.gz NJFAAPUQXNNQAD-STQMWFEESA-N 1 3 228.424 3.164 20 0 BGADHO CC(C)(N)CC[NH2+]CCC1CCCCCC1 ZINC000903939854 584828798 /nfs/dbraw/zinc/82/87/98/584828798.db2.gz OZOWGVFIMWWBJL-UHFFFAOYSA-N 1 3 226.408 3.064 20 0 BGADHO CC(C)(N)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000903939964 584828807 /nfs/dbraw/zinc/82/88/07/584828807.db2.gz ROMPFZHHGVDHQI-CABCVRRESA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)([NH3+])CCN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000903939964 584828804 /nfs/dbraw/zinc/82/88/04/584828804.db2.gz ROMPFZHHGVDHQI-CABCVRRESA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)(N)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000903939965 584828969 /nfs/dbraw/zinc/82/89/69/584828969.db2.gz ROMPFZHHGVDHQI-GJZGRUSLSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)([NH3+])CCN[C@H]1CCC[C@H]1c1ccccc1 ZINC000903939965 584828968 /nfs/dbraw/zinc/82/89/68/584828968.db2.gz ROMPFZHHGVDHQI-GJZGRUSLSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)(N)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000903939966 584828779 /nfs/dbraw/zinc/82/87/79/584828779.db2.gz ROMPFZHHGVDHQI-HUUCEWRRSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)([NH3+])CCN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000903939966 584828778 /nfs/dbraw/zinc/82/87/78/584828778.db2.gz ROMPFZHHGVDHQI-HUUCEWRRSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)(N)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000903939967 584828884 /nfs/dbraw/zinc/82/88/84/584828884.db2.gz ROMPFZHHGVDHQI-LSDHHAIUSA-N 1 3 246.398 3.040 20 0 BGADHO CC(C)([NH3+])CCN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000903939967 584828882 /nfs/dbraw/zinc/82/88/82/584828882.db2.gz ROMPFZHHGVDHQI-LSDHHAIUSA-N 1 3 246.398 3.040 20 0 BGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)N ZINC000903940010 584829246 /nfs/dbraw/zinc/82/92/46/584829246.db2.gz SVCOSJGECMKHFR-CHWSQXEVSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)N ZINC000903940011 584829080 /nfs/dbraw/zinc/82/90/80/584829080.db2.gz SVCOSJGECMKHFR-OLZOCXBDSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)N ZINC000903940012 584828936 /nfs/dbraw/zinc/82/89/36/584828936.db2.gz SVCOSJGECMKHFR-QWHCGFSZSA-N 1 3 226.408 3.062 20 0 BGADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)N ZINC000903940013 584828911 /nfs/dbraw/zinc/82/89/11/584828911.db2.gz SVCOSJGECMKHFR-STQMWFEESA-N 1 3 226.408 3.062 20 0 BGADHO CCC[C@@H](Cc1ccccc1)[NH2+]CCC(C)(C)N ZINC000903940087 584829142 /nfs/dbraw/zinc/82/91/42/584829142.db2.gz WAJNHGUAZZNSOQ-HNNXBMFYSA-N 1 3 248.414 3.115 20 0 BGADHO CCC[C@@H](Cc1ccccc1)NCCC(C)(C)[NH3+] ZINC000903940087 584829141 /nfs/dbraw/zinc/82/91/41/584829141.db2.gz WAJNHGUAZZNSOQ-HNNXBMFYSA-N 1 3 248.414 3.115 20 0 BGADHO CCC[C@H](Cc1ccccc1)[NH2+]CCC(C)(C)N ZINC000903940088 584829123 /nfs/dbraw/zinc/82/91/23/584829123.db2.gz WAJNHGUAZZNSOQ-OAHLLOKOSA-N 1 3 248.414 3.115 20 0 BGADHO CCC[C@H](Cc1ccccc1)NCCC(C)(C)[NH3+] ZINC000903940088 584829121 /nfs/dbraw/zinc/82/91/21/584829121.db2.gz WAJNHGUAZZNSOQ-OAHLLOKOSA-N 1 3 248.414 3.115 20 0 BGADHO CC(C)[C@H](C[NH2+]CCC(C)(C)N)c1ccccc1 ZINC000903940164 584829026 /nfs/dbraw/zinc/82/90/26/584829026.db2.gz ZBBHOHSBBMAQIH-HNNXBMFYSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)[C@H](CNCCC(C)(C)[NH3+])c1ccccc1 ZINC000903940164 584829025 /nfs/dbraw/zinc/82/90/25/584829025.db2.gz ZBBHOHSBBMAQIH-HNNXBMFYSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)[C@@H](C[NH2+]CCC(C)(C)N)c1ccccc1 ZINC000903940165 584828961 /nfs/dbraw/zinc/82/89/61/584828961.db2.gz ZBBHOHSBBMAQIH-OAHLLOKOSA-N 1 3 248.414 3.143 20 0 BGADHO CC(C)[C@@H](CNCCC(C)(C)[NH3+])c1ccccc1 ZINC000903940165 584828960 /nfs/dbraw/zinc/82/89/60/584828960.db2.gz ZBBHOHSBBMAQIH-OAHLLOKOSA-N 1 3 248.414 3.143 20 0 BGADHO C[C@H](CCC1CCCC1)[NH2+]CCC(C)(C)N ZINC000903940173 584829198 /nfs/dbraw/zinc/82/91/98/584829198.db2.gz ZFKDDGWKTXLWON-GFCCVEGCSA-N 1 3 226.408 3.062 20 0 BGADHO C[C@@H](CCC1CCCC1)[NH2+]CCC(C)(C)N ZINC000903940174 584828843 /nfs/dbraw/zinc/82/88/43/584828843.db2.gz ZFKDDGWKTXLWON-LBPRGKRZSA-N 1 3 226.408 3.062 20 0 BGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCC(C)(C)N ZINC000903940184 584828927 /nfs/dbraw/zinc/82/89/27/584828927.db2.gz ZWRPKFITRPQFSP-HNNXBMFYSA-N 1 3 248.414 3.033 20 0 BGADHO CC[C@@H](Cc1ccc(C)cc1)NCCC(C)(C)[NH3+] ZINC000903940184 584828926 /nfs/dbraw/zinc/82/89/26/584828926.db2.gz ZWRPKFITRPQFSP-HNNXBMFYSA-N 1 3 248.414 3.033 20 0 BGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCC(C)(C)N ZINC000903940185 584828789 /nfs/dbraw/zinc/82/87/89/584828789.db2.gz ZWRPKFITRPQFSP-OAHLLOKOSA-N 1 3 248.414 3.033 20 0 BGADHO CC[C@H](Cc1ccc(C)cc1)NCCC(C)(C)[NH3+] ZINC000903940185 584828787 /nfs/dbraw/zinc/82/87/87/584828787.db2.gz ZWRPKFITRPQFSP-OAHLLOKOSA-N 1 3 248.414 3.033 20 0 BGADHO CC(C)(C)CC[C@H]([NH3+])CN[C@]12C[C@H]1CCCC2 ZINC000904384216 584877347 /nfs/dbraw/zinc/87/73/47/584877347.db2.gz HBWMZRJDUHNTGI-VNHYZAJKSA-N 1 3 238.419 3.062 20 0 BGADHO CC(C)(C)CC[C@H]([NH3+])CN[C@@]12C[C@@H]1CCCC2 ZINC000904384217 584877511 /nfs/dbraw/zinc/87/75/11/584877511.db2.gz HBWMZRJDUHNTGI-YDHLFZDLSA-N 1 3 238.419 3.062 20 0 BGADHO NCCC[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000904470584 637422367 /nfs/dbraw/zinc/42/23/67/637422367.db2.gz ZIRWEMFNOBGKCH-CVEARBPZSA-N 1 3 246.398 3.041 20 0 BGADHO NCCC[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000904470585 637423438 /nfs/dbraw/zinc/42/34/38/637423438.db2.gz ZIRWEMFNOBGKCH-HOTGVXAUSA-N 1 3 246.398 3.041 20 0 BGADHO NCCC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000904470586 637425825 /nfs/dbraw/zinc/42/58/25/637425825.db2.gz ZIRWEMFNOBGKCH-HZPDHXFCSA-N 1 3 246.398 3.041 20 0 BGADHO NCCC[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000904470587 637424977 /nfs/dbraw/zinc/42/49/77/637424977.db2.gz ZIRWEMFNOBGKCH-JKSUJKDBSA-N 1 3 246.398 3.041 20 0 BGADHO CCCC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000906527174 638191718 /nfs/dbraw/zinc/19/17/18/638191718.db2.gz MRICJAONNTVHJO-UHFFFAOYSA-N 1 3 238.419 3.031 20 0 BGADHO CC(C)CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000924538730 646058186 /nfs/dbraw/zinc/05/81/86/646058186.db2.gz MDTXYFPOHNPQLM-UHFFFAOYSA-N 1 3 240.435 3.133 20 0 BGADHO CCCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000924544816 646063129 /nfs/dbraw/zinc/06/31/29/646063129.db2.gz XBYIJTPZIOCHGU-UHFFFAOYSA-N 1 3 240.435 3.277 20 0 BGADHO CC(C)N(C)CCC[NH2+]C1CC2(C1)CCCC2 ZINC000924617198 646078605 /nfs/dbraw/zinc/07/86/05/646078605.db2.gz KSFFUFVMUVPMGP-UHFFFAOYSA-N 1 3 238.419 3.029 20 0 BGADHO C[C@H]([NH3+])[C@H](NC[C@H]1CC=CCC1)c1ccccc1 ZINC000925618192 634171271 /nfs/dbraw/zinc/17/12/71/634171271.db2.gz UTJCEZJDQISJGO-DZKIICNBSA-N 1 3 244.382 3.021 20 0 BGADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000925618194 634169836 /nfs/dbraw/zinc/16/98/36/634169836.db2.gz UTJCEZJDQISJGO-LZWOXQAQSA-N 1 3 244.382 3.021 20 0 BGADHO C[C@H]([NH3+])[C@@H](NC[C@H]1CC=CCC1)c1ccccc1 ZINC000925618195 634171099 /nfs/dbraw/zinc/17/10/99/634171099.db2.gz UTJCEZJDQISJGO-OFQRWUPVSA-N 1 3 244.382 3.021 20 0 BGADHO C[C@H]([NH3+])[C@@H](NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000925618196 634170339 /nfs/dbraw/zinc/17/03/39/634170339.db2.gz UTJCEZJDQISJGO-SQWLQELKSA-N 1 3 244.382 3.021 20 0 BGADHO CC[C@H](NCCC(C)(C)[NH3+])c1cccc(C)c1 ZINC000925737411 646460459 /nfs/dbraw/zinc/46/04/59/646460459.db2.gz IIFHHHOQMNBTCA-AWEZNQCLSA-N 1 3 234.387 3.163 20 0 BGADHO CC[C@@H](NCCC(C)(C)[NH3+])c1cccc(C)c1 ZINC000925737413 646460793 /nfs/dbraw/zinc/46/07/93/646460793.db2.gz IIFHHHOQMNBTCA-CQSZACIVSA-N 1 3 234.387 3.163 20 0 BGADHO CCC[C@@H](NCCC(C)(C)[NH3+])c1ccsc1 ZINC000925738596 646461024 /nfs/dbraw/zinc/46/10/24/646461024.db2.gz QMFQGCLOUXFEBQ-GFCCVEGCSA-N 1 3 240.416 3.306 20 0 BGADHO CCC[C@H](NCCC(C)(C)[NH3+])c1ccsc1 ZINC000925738597 646460528 /nfs/dbraw/zinc/46/05/28/646460528.db2.gz QMFQGCLOUXFEBQ-LBPRGKRZSA-N 1 3 240.416 3.306 20 0 BGADHO Cc1cccc([C@@H](C)NCCC(C)(C)[NH3+])c1C ZINC000925739670 646462132 /nfs/dbraw/zinc/46/21/32/646462132.db2.gz COOXYMVBFJIPMW-CYBMUJFWSA-N 1 3 234.387 3.081 20 0 BGADHO Cc1cccc([C@H](C)NCCC(C)(C)[NH3+])c1C ZINC000925739672 646462261 /nfs/dbraw/zinc/46/22/61/646462261.db2.gz COOXYMVBFJIPMW-ZDUSSCGKSA-N 1 3 234.387 3.081 20 0 BGADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCCC(C)(C)[NH3+] ZINC000925739979 646462913 /nfs/dbraw/zinc/46/29/13/646462913.db2.gz FOTXQMFBERVMHB-GXTWGEPZSA-N 1 3 246.398 3.260 20 0 BGADHO Cc1cccc2c1[C@@H](C)C[C@@H]2NCCC(C)(C)[NH3+] ZINC000925739983 646462795 /nfs/dbraw/zinc/46/27/95/646462795.db2.gz FOTXQMFBERVMHB-JSGCOSHPSA-N 1 3 246.398 3.260 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC(C)(C)[NH3+] ZINC000925739984 646462988 /nfs/dbraw/zinc/46/29/88/646462988.db2.gz FOTXQMFBERVMHB-OCCSQVGLSA-N 1 3 246.398 3.260 20 0 BGADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC(C)(C)[NH3+] ZINC000925739985 646461923 /nfs/dbraw/zinc/46/19/23/646461923.db2.gz FOTXQMFBERVMHB-TZMCWYRMSA-N 1 3 246.398 3.260 20 0 BGADHO Cc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1C ZINC000925740145 646461660 /nfs/dbraw/zinc/46/16/60/646461660.db2.gz DMAIQMNXKPYOQH-CYBMUJFWSA-N 1 3 234.387 3.081 20 0 BGADHO Cc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1C ZINC000925740147 646463027 /nfs/dbraw/zinc/46/30/27/646463027.db2.gz DMAIQMNXKPYOQH-ZDUSSCGKSA-N 1 3 234.387 3.081 20 0 BGADHO CC(C)([NH3+])CCN[C@H]1CC(C)(C)c2ccccc21 ZINC000925740704 646463040 /nfs/dbraw/zinc/46/30/40/646463040.db2.gz JWOKRSKXXRANMY-AWEZNQCLSA-N 1 3 246.398 3.126 20 0 BGADHO CC(C)([NH3+])CCN[C@@H]1CC(C)(C)c2ccccc21 ZINC000925740705 646461968 /nfs/dbraw/zinc/46/19/68/646461968.db2.gz JWOKRSKXXRANMY-CQSZACIVSA-N 1 3 246.398 3.126 20 0 BGADHO CCc1ccc([C@H](C)NCCC(C)(C)[NH3+])s1 ZINC000925741267 646461647 /nfs/dbraw/zinc/46/16/47/646461647.db2.gz OHEVLMVFVPVZDJ-JTQLQIEISA-N 1 3 240.416 3.089 20 0 BGADHO CCc1ccc([C@@H](C)NCCC(C)(C)[NH3+])s1 ZINC000925741268 646462749 /nfs/dbraw/zinc/46/27/49/646462749.db2.gz OHEVLMVFVPVZDJ-SNVBAGLBSA-N 1 3 240.416 3.089 20 0 BGADHO Cc1cc(C)cc([C@@H](C)NCCC(C)(C)[NH3+])c1 ZINC000925741899 634604291 /nfs/dbraw/zinc/60/42/91/634604291.db2.gz WKQZBPZOASGZLL-CYBMUJFWSA-N 1 3 234.387 3.081 20 0 BGADHO Cc1cc(C)cc([C@H](C)NCCC(C)(C)[NH3+])c1 ZINC000925741900 634604685 /nfs/dbraw/zinc/60/46/85/634604685.db2.gz WKQZBPZOASGZLL-ZDUSSCGKSA-N 1 3 234.387 3.081 20 0 BGADHO CC(C)=CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926267800 646608358 /nfs/dbraw/zinc/60/83/58/646608358.db2.gz ZZPUNXZKMXKXMY-UHFFFAOYSA-N 1 3 238.419 3.053 20 0 BGADHO CC/C=C/C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926514803 646662667 /nfs/dbraw/zinc/66/26/67/646662667.db2.gz CUCXSTOITDNYAE-AATRIKPKSA-N 1 3 238.419 3.053 20 0 BGADHO CC/C=C\C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926514804 646662653 /nfs/dbraw/zinc/66/26/53/646662653.db2.gz CUCXSTOITDNYAE-WAYWQWQTSA-N 1 3 238.419 3.053 20 0 BGADHO CN(C)C1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC000931352233 640168327 /nfs/dbraw/zinc/16/83/27/640168327.db2.gz HESXJHFBLRGNOR-UHFFFAOYSA-N 1 3 240.435 3.229 20 0 BGADHO C[C@H](C[NH+]1CCC(C)(N(C)C)CC1)C(C)(C)C ZINC000931355033 640168800 /nfs/dbraw/zinc/16/88/00/640168800.db2.gz OETCKUGHFWNSMM-CYBMUJFWSA-N 1 3 240.435 3.085 20 0 BGADHO C[C@@H](C[NH+]1CCC(C)(N(C)C)CC1)C(C)(C)C ZINC000931355034 640168158 /nfs/dbraw/zinc/16/81/58/640168158.db2.gz OETCKUGHFWNSMM-ZDUSSCGKSA-N 1 3 240.435 3.085 20 0 BGADHO