smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222254087 972423560 /nfs/dbraw/zinc/42/35/60/972423560.db2.gz VNBSBAHIPZQUHZ-HNNXBMFYSA-N 2 1 245.370 1.987 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222254087 972423569 /nfs/dbraw/zinc/42/35/69/972423569.db2.gz VNBSBAHIPZQUHZ-HNNXBMFYSA-N 2 1 245.370 1.987 20 10 BDCDMP Nc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206641574 962333261 /nfs/dbraw/zinc/33/32/61/962333261.db2.gz YZQOQGAWBCBUSF-CYBMUJFWSA-N 2 1 233.359 1.830 20 10 BDCDMP Cc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204782254 967164847 /nfs/dbraw/zinc/16/48/47/967164847.db2.gz BHMZVGQQNGEEKF-ZDUSSCGKSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204782254 967164857 /nfs/dbraw/zinc/16/48/57/967164857.db2.gz BHMZVGQQNGEEKF-ZDUSSCGKSA-N 2 1 220.316 1.624 20 10 BDCDMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(N)cc1 ZINC001205331824 967549451 /nfs/dbraw/zinc/54/94/51/967549451.db2.gz JZNWVHOBYYJFDW-LLVKDONJSA-N 2 1 219.332 1.453 20 10 BDCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(N)cc1 ZINC001205331824 967549458 /nfs/dbraw/zinc/54/94/58/967549458.db2.gz JZNWVHOBYYJFDW-LLVKDONJSA-N 2 1 219.332 1.453 20 10 BDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2O)C1 ZINC001205807181 967830506 /nfs/dbraw/zinc/83/05/06/967830506.db2.gz YKTFJVSHSIQQKS-AAEUAGOBSA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2O)C1 ZINC001205807181 967830509 /nfs/dbraw/zinc/83/05/09/967830509.db2.gz YKTFJVSHSIQQKS-AAEUAGOBSA-N 2 1 234.343 1.951 20 10 BDCDMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205872944 967868128 /nfs/dbraw/zinc/86/81/28/967868128.db2.gz WGOHFOXWUPSWSD-YPMHNXCESA-N 2 1 234.343 1.870 20 10 BDCDMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205872944 967868129 /nfs/dbraw/zinc/86/81/29/967868129.db2.gz WGOHFOXWUPSWSD-YPMHNXCESA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N)cc1 ZINC001205917517 967884024 /nfs/dbraw/zinc/88/40/24/967884024.db2.gz ZPSVWAHVZXVTRF-DGCLKSJQSA-N 2 1 233.359 1.828 20 10 BDCDMP Nc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206196909 975129699 /nfs/dbraw/zinc/12/96/99/975129699.db2.gz DZWBEFBNWIVIRZ-QWHCGFSZSA-N 2 1 237.322 1.530 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206196909 975129705 /nfs/dbraw/zinc/12/97/05/975129705.db2.gz DZWBEFBNWIVIRZ-QWHCGFSZSA-N 2 1 237.322 1.530 20 10 BDCDMP CC[C@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001336286196 977613573 /nfs/dbraw/zinc/61/35/73/977613573.db2.gz OLRAFEYBVLLPBU-JSGCOSHPSA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235991339 979278399 /nfs/dbraw/zinc/27/83/99/979278399.db2.gz LLSZNTFLXKXEBW-SWLSCSKDSA-N 2 1 246.354 1.932 20 10 BDCDMP C[N@H+](Cc1ccc(N)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219832 979453954 /nfs/dbraw/zinc/45/39/54/979453954.db2.gz XQDPQULKPXFGKF-KBPBESRZSA-N 2 1 233.359 1.971 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219832 979453957 /nfs/dbraw/zinc/45/39/57/979453957.db2.gz XQDPQULKPXFGKF-KBPBESRZSA-N 2 1 233.359 1.971 20 10 BDCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)[NH3+] ZINC001236280176 979481098 /nfs/dbraw/zinc/48/10/98/979481098.db2.gz UQAVCRXKFOOPOL-GFCCVEGCSA-N 2 1 235.375 1.922 20 10 BDCDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001352790088 982579856 /nfs/dbraw/zinc/57/98/56/982579856.db2.gz OJPUTUXKBCYLOT-CYBMUJFWSA-N 2 1 221.348 1.876 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205888348 983085087 /nfs/dbraw/zinc/08/50/87/983085087.db2.gz APSINPYCZHWKRD-YPMHNXCESA-N 2 1 234.343 1.870 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205888348 983085098 /nfs/dbraw/zinc/08/50/98/983085098.db2.gz APSINPYCZHWKRD-YPMHNXCESA-N 2 1 234.343 1.870 20 10 BDCDMP [NH3+][C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2O)C1 ZINC001580427728 986845150 /nfs/dbraw/zinc/84/51/50/986845150.db2.gz NTYWVMVTZKEEAD-CZMCAQCFSA-N 2 1 224.279 1.358 20 10 BDCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246277517 987672217 /nfs/dbraw/zinc/67/22/17/987672217.db2.gz IFKCJOSMKCYPBX-KOLCDFICSA-N 2 1 236.315 1.328 20 10 BDCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246277520 987673772 /nfs/dbraw/zinc/67/37/72/987673772.db2.gz IFKCJOSMKCYPBX-ONGXEEELSA-N 2 1 236.315 1.328 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001336286500 994998896 /nfs/dbraw/zinc/99/88/96/994998896.db2.gz QZZQPUFJFLKQLD-GXTWGEPZSA-N 2 1 231.343 1.453 20 10 BDCDMP C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362680 383971563 /nfs/dbraw/zinc/97/15/63/383971563.db2.gz VHZXPNRFXMWFDW-UHFFFAOYSA-N 2 1 234.343 1.663 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1[NH3+] ZINC000300048201 582483802 /nfs/dbraw/zinc/48/38/02/582483802.db2.gz IEUNBKBFLVZPCK-MWLCHTKSSA-N 2 1 206.289 1.171 20 10 BDCDMP COc1ccc(O)c(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000853246566 588728408 /nfs/dbraw/zinc/72/84/08/588728408.db2.gz MTNGTNDDAJBKER-UHFFFAOYSA-N 2 1 248.326 1.242 20 10 BDCDMP C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1[NH3+] ZINC000300048201 582483801 /nfs/dbraw/zinc/48/38/01/582483801.db2.gz IEUNBKBFLVZPCK-MWLCHTKSSA-N 2 1 206.289 1.171 20 10 BDCDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000216058697 583169277 /nfs/dbraw/zinc/16/92/77/583169277.db2.gz JZIPFPQVEOOPHS-GXTWGEPZSA-N 2 1 247.386 1.922 20 10 BDCDMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841076704 584751378 /nfs/dbraw/zinc/75/13/78/584751378.db2.gz MMLVXRQAVZPNQX-ZJUUUORDSA-N 2 1 239.338 1.717 20 10 BDCDMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000903964303 584833790 /nfs/dbraw/zinc/83/37/90/584833790.db2.gz IRUGAKDCXIVHCU-KOLCDFICSA-N 2 1 238.306 1.476 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355318 584870721 /nfs/dbraw/zinc/87/07/21/584870721.db2.gz PWMMLADVCAATTH-CYBMUJFWSA-N 2 1 234.343 1.839 20 10 BDCDMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355996 584871288 /nfs/dbraw/zinc/87/12/88/584871288.db2.gz ZHTGWJFQAOBRSI-MNOVXSKESA-N 2 1 234.343 1.837 20 10 BDCDMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817951244 586843893 /nfs/dbraw/zinc/84/38/93/586843893.db2.gz CGLPMKZKSXVONN-IUCAKERBSA-N 2 1 226.295 1.919 20 10 BDCDMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000817960267 586851186 /nfs/dbraw/zinc/85/11/86/586851186.db2.gz LHBYWTJRECOYTK-VXGBXAGGSA-N 2 1 232.327 1.706 20 10 BDCDMP Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000817966897 586855215 /nfs/dbraw/zinc/85/52/15/586855215.db2.gz YBJFFPQBBAMXQT-ZJUUUORDSA-N 2 1 208.305 1.698 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000841024391 587935707 /nfs/dbraw/zinc/93/57/07/587935707.db2.gz MUENRNIMYCHRRE-WFASDCNBSA-N 2 1 247.386 1.983 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000841024391 587935709 /nfs/dbraw/zinc/93/57/09/587935709.db2.gz MUENRNIMYCHRRE-WFASDCNBSA-N 2 1 247.386 1.983 20 10 BDCDMP [NH3+][C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000841049296 587940035 /nfs/dbraw/zinc/94/00/35/587940035.db2.gz JKOONPMIUQLAJC-ZDUSSCGKSA-N 2 1 232.327 1.448 20 10 BDCDMP Cc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2C)c1O ZINC000841057607 587940520 /nfs/dbraw/zinc/94/05/20/587940520.db2.gz ASTHZKSTMQGGJD-GXFFZTMASA-N 2 1 234.343 1.788 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(F)ccc1O ZINC000841072589 587943894 /nfs/dbraw/zinc/94/38/94/587943894.db2.gz QOVDBSMWMFGKLU-SNVBAGLBSA-N 2 1 212.268 1.358 20 10 BDCDMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841078627 587944992 /nfs/dbraw/zinc/94/49/92/587944992.db2.gz GMWHQKDSQOZCLY-UWVGGRQHSA-N 2 1 220.316 1.447 20 10 BDCDMP COc1cccc(O)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000843125278 588083219 /nfs/dbraw/zinc/08/32/19/588083219.db2.gz QRGLJMIGSDCOLP-UHFFFAOYSA-N 2 1 236.315 1.322 20 10 BDCDMP COc1cccc(O)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000843125278 588083220 /nfs/dbraw/zinc/08/32/20/588083220.db2.gz QRGLJMIGSDCOLP-UHFFFAOYSA-N 2 1 236.315 1.322 20 10 BDCDMP [NH3+]CC1(CC[NH2+]Cc2cccc(F)c2O)CC1 ZINC000844903963 588218826 /nfs/dbraw/zinc/21/88/26/588218826.db2.gz TWPKANYDSIRXOD-UHFFFAOYSA-N 2 1 238.306 1.750 20 10 BDCDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2O)C1 ZINC000309411902 633915053 /nfs/dbraw/zinc/91/50/53/633915053.db2.gz IZKPWVZLCZBCAW-CYBMUJFWSA-N 2 1 220.316 1.563 20 10 BDCDMP CN(C)c1ccc(/C=C/C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904445569 637413582 /nfs/dbraw/zinc/41/35/82/637413582.db2.gz XBKPJHMOVJWSFU-ONEGZZNKSA-N 2 1 245.370 1.847 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227054736 640811295 /nfs/dbraw/zinc/81/12/95/640811295.db2.gz OAVBSIDBEVAXJY-AAEUAGOBSA-N 2 1 234.343 1.870 20 10 BDCDMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(O)c1 ZINC000083361139 643440374 /nfs/dbraw/zinc/44/03/74/643440374.db2.gz WEWXYARUQAVRLR-UHFFFAOYSA-N 2 1 234.343 1.884 20 10 BDCDMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000050245124 643657069 /nfs/dbraw/zinc/65/70/69/643657069.db2.gz SQZWEWHZIIVYDR-SECBINFHSA-N 2 1 240.734 1.826 20 10 BDCDMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923281780 644314782 /nfs/dbraw/zinc/31/47/82/644314782.db2.gz PMUYARIXZLTDFP-CQSZACIVSA-N 2 1 247.386 1.842 20 10 BDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1O ZINC000220338152 645889855 /nfs/dbraw/zinc/88/98/55/645889855.db2.gz XHYBWYSVKBHVCD-UWVGGRQHSA-N 2 1 238.306 1.700 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000227743186 711832756 /nfs/dbraw/zinc/83/27/56/711832756.db2.gz SJHZCBDDOXGMQK-UHFFFAOYSA-N 2 1 208.305 1.481 20 10 BDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2O)CC[C@H]1F ZINC001206154035 974318479 /nfs/dbraw/zinc/31/84/79/974318479.db2.gz GLRFEOSAXRILHI-VXGBXAGGSA-N 2 1 238.306 1.653 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@H]1C[NH3+] ZINC001334754226 976624953 /nfs/dbraw/zinc/62/49/53/976624953.db2.gz MJRGRGSUSSCFKR-YPMHNXCESA-N 2 1 233.359 1.686 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334774815 976642772 /nfs/dbraw/zinc/64/27/72/976642772.db2.gz OXZWRQCUCPYWFC-YPMHNXCESA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235162678 978985655 /nfs/dbraw/zinc/98/56/55/978985655.db2.gz ZPDMTLNYNPVIOG-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235162678 978985662 /nfs/dbraw/zinc/98/56/62/978985662.db2.gz ZPDMTLNYNPVIOG-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235245938 979003460 /nfs/dbraw/zinc/00/34/60/979003460.db2.gz RSCDCFAMMBWOFY-TZMCWYRMSA-N 2 1 231.343 1.582 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235245938 979003473 /nfs/dbraw/zinc/00/34/73/979003473.db2.gz RSCDCFAMMBWOFY-TZMCWYRMSA-N 2 1 231.343 1.582 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990650 979275334 /nfs/dbraw/zinc/27/53/34/979275334.db2.gz NFAVIPNKYNXNJD-JSGCOSHPSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990650 979275348 /nfs/dbraw/zinc/27/53/48/979275348.db2.gz NFAVIPNKYNXNJD-JSGCOSHPSA-N 2 1 232.327 1.624 20 10 BDCDMP CN(C)c1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000692013384 985186334 /nfs/dbraw/zinc/18/63/34/985186334.db2.gz FRCNWPNCHMWUAQ-UHFFFAOYSA-N 2 1 235.375 1.922 20 10 BDCDMP CN(C)c1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000692013384 985186344 /nfs/dbraw/zinc/18/63/44/985186344.db2.gz FRCNWPNCHMWUAQ-UHFFFAOYSA-N 2 1 235.375 1.922 20 10 BDCDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N)cc1 ZINC001120268395 989621726 /nfs/dbraw/zinc/62/17/26/989621726.db2.gz DHIPQJVDIYXVOU-GWCFXTLKSA-N 2 1 219.332 1.580 20 10 BDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000071142079 173370584 /nfs/dbraw/zinc/37/05/84/173370584.db2.gz FDAVQGSQLYYLQZ-AWEZNQCLSA-N 2 1 247.386 1.794 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841070567 584223797 /nfs/dbraw/zinc/22/37/97/584223797.db2.gz QXPFVTKLYAQGEF-LBPRGKRZSA-N 2 1 220.316 1.448 20 10 BDCDMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841076702 584753143 /nfs/dbraw/zinc/75/31/43/584753143.db2.gz MMLVXRQAVZPNQX-UWVGGRQHSA-N 2 1 239.338 1.717 20 10 BDCDMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000841077176 584775929 /nfs/dbraw/zinc/77/59/29/584775929.db2.gz CQAAPJOPLUMVDU-IMRBUKKESA-N 2 1 232.327 1.311 20 10 BDCDMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1O ZINC000817970116 584993312 /nfs/dbraw/zinc/99/33/12/584993312.db2.gz LUGZHJJYHNTOLY-ONGXEEELSA-N 2 1 208.305 1.780 20 10 BDCDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[N@H+]1C ZINC000817956275 586849653 /nfs/dbraw/zinc/84/96/53/586849653.db2.gz VNRNFJXPDVJFOF-WFASDCNBSA-N 2 1 247.386 1.884 20 10 BDCDMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1C ZINC000841027385 587936016 /nfs/dbraw/zinc/93/60/16/587936016.db2.gz AOKURCHYOSPRMF-CYBMUJFWSA-N 2 1 234.343 1.831 20 10 BDCDMP [NH3+][C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000841049295 587940198 /nfs/dbraw/zinc/94/01/98/587940198.db2.gz JKOONPMIUQLAJC-CYBMUJFWSA-N 2 1 232.327 1.448 20 10 BDCDMP C[C@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841059580 587940580 /nfs/dbraw/zinc/94/05/80/587940580.db2.gz GDVWGDWBEOWAGN-SSDOTTSWSA-N 2 1 214.696 1.482 20 10 BDCDMP C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841059397 587940616 /nfs/dbraw/zinc/94/06/16/587940616.db2.gz RMGNIIKWWRGANC-WFASDCNBSA-N 2 1 247.386 1.840 20 10 BDCDMP Cc1cccc(C[NH2+][C@H]2CNCC[C@@H]2C)c1O ZINC000841057606 587940765 /nfs/dbraw/zinc/94/07/65/587940765.db2.gz ASTHZKSTMQGGJD-GWCFXTLKSA-N 2 1 234.343 1.788 20 10 BDCDMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841078626 587944626 /nfs/dbraw/zinc/94/46/26/587944626.db2.gz GMWHQKDSQOZCLY-NXEZZACHSA-N 2 1 220.316 1.447 20 10 BDCDMP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1C ZINC000841081936 587945110 /nfs/dbraw/zinc/94/51/10/587945110.db2.gz VQUJJCGESNGCGK-WDEREUQCSA-N 2 1 222.332 1.829 20 10 BDCDMP Cc1ccc(O)c(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000841091404 587946288 /nfs/dbraw/zinc/94/62/88/587946288.db2.gz XCHSDJQCGVSVBZ-ZDUSSCGKSA-N 2 1 234.343 1.932 20 10 BDCDMP Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1O ZINC000843043721 588076015 /nfs/dbraw/zinc/07/60/15/588076015.db2.gz FBFXYOVHQGEWQD-LBPRGKRZSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1O ZINC000843043721 588076016 /nfs/dbraw/zinc/07/60/16/588076016.db2.gz FBFXYOVHQGEWQD-LBPRGKRZSA-N 2 1 220.316 1.624 20 10 BDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843048501 588076591 /nfs/dbraw/zinc/07/65/91/588076591.db2.gz CNJYAOGHLAIKCU-SNVBAGLBSA-N 2 1 236.315 1.181 20 10 BDCDMP C[N@H+](Cc1ccccc1O)C[C@@H]1CC[NH2+]C1 ZINC000843357326 588103647 /nfs/dbraw/zinc/10/36/47/588103647.db2.gz INUPKRWIXVXEFO-LLVKDONJSA-N 2 1 220.316 1.434 20 10 BDCDMP CCC[N@@H+](Cc1ccccc1O)C[C@@H](C)[NH3+] ZINC000843358437 588103661 /nfs/dbraw/zinc/10/36/61/588103661.db2.gz QHVPDIINLWLDOE-LLVKDONJSA-N 2 1 222.332 1.951 20 10 BDCDMP CCC[N@H+](Cc1ccccc1O)C[C@@H](C)[NH3+] ZINC000843358437 588103663 /nfs/dbraw/zinc/10/36/63/588103663.db2.gz QHVPDIINLWLDOE-LLVKDONJSA-N 2 1 222.332 1.951 20 10 BDCDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000876897357 590254875 /nfs/dbraw/zinc/25/48/75/590254875.db2.gz BMLLWDPTGNXPEG-UHFFFAOYSA-N 2 1 234.343 1.884 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000310372970 634133939 /nfs/dbraw/zinc/13/39/39/634133939.db2.gz OMRUSHXUWQPLOD-CQSZACIVSA-N 2 1 234.343 1.871 20 10 BDCDMP Nc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925695809 634352643 /nfs/dbraw/zinc/35/26/43/634352643.db2.gz XXOIAWJFCDCKCM-AWEZNQCLSA-N 2 1 245.370 1.686 20 10 BDCDMP CC(C)([NH3+])C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258687765 635187690 /nfs/dbraw/zinc/18/76/90/635187690.db2.gz BHBBWPGCYUZYAL-UHFFFAOYSA-N 2 1 234.343 1.839 20 10 BDCDMP COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1C ZINC000259135513 635245043 /nfs/dbraw/zinc/24/50/43/635245043.db2.gz RBBYNZRPRDLBDY-UHFFFAOYSA-N 2 1 220.316 1.585 20 10 BDCDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(F)ccc1O ZINC000220334554 635304821 /nfs/dbraw/zinc/30/48/21/635304821.db2.gz FZIMEWAYARIGJQ-JOYOIKCWSA-N 2 1 238.306 1.843 20 10 BDCDMP C[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1O ZINC000062747662 641091302 /nfs/dbraw/zinc/09/13/02/641091302.db2.gz MPEBKBGQVSRMDZ-QMMMGPOBSA-N 2 1 212.268 1.531 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320542 644588922 /nfs/dbraw/zinc/58/89/22/644588922.db2.gz GDBKXUGGVFMKMQ-BETUJISGSA-N 2 1 232.327 1.352 20 10 BDCDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925689552 646416848 /nfs/dbraw/zinc/41/68/48/646416848.db2.gz BXKNOEXKDGFNJK-BXUZGUMPSA-N 2 1 233.359 1.541 20 10 BDCDMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000925784377 646480786 /nfs/dbraw/zinc/48/07/86/646480786.db2.gz NCVSAWYIOCJJJA-ADEWGFFLSA-N 2 1 232.327 1.577 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001336117492 977516152 /nfs/dbraw/zinc/51/61/52/977516152.db2.gz NWEFYVQUISYJNU-UHFFFAOYSA-N 2 1 219.332 1.453 20 10 BDCDMP Nc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206641575 962328010 /nfs/dbraw/zinc/32/80/10/962328010.db2.gz YZQOQGAWBCBUSF-ZDUSSCGKSA-N 2 1 233.359 1.830 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204801402 963665079 /nfs/dbraw/zinc/66/50/79/963665079.db2.gz OGUNMWBXVJVNTM-CYBMUJFWSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204801402 963665086 /nfs/dbraw/zinc/66/50/86/963665086.db2.gz OGUNMWBXVJVNTM-CYBMUJFWSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235991076 966206531 /nfs/dbraw/zinc/20/65/31/966206531.db2.gz NYJHRYPOFMSKBR-SMDDNHRTSA-N 2 1 232.327 1.624 20 10 BDCDMP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1[NH3+] ZINC001206070679 968040709 /nfs/dbraw/zinc/04/07/09/968040709.db2.gz POAFIVAOMWJPHE-ZWNOBZJWSA-N 2 1 249.358 1.237 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1[NH3+] ZINC001206070679 968040723 /nfs/dbraw/zinc/04/07/23/968040723.db2.gz POAFIVAOMWJPHE-ZWNOBZJWSA-N 2 1 249.358 1.237 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001335285334 976924604 /nfs/dbraw/zinc/92/46/04/976924604.db2.gz NPOJPRKLPHKIQG-LBPRGKRZSA-N 2 1 219.332 1.440 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990656 979271647 /nfs/dbraw/zinc/27/16/47/979271647.db2.gz NFAVIPNKYNXNJD-TZMCWYRMSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990656 979271657 /nfs/dbraw/zinc/27/16/57/979271657.db2.gz NFAVIPNKYNXNJD-TZMCWYRMSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235991337 979276733 /nfs/dbraw/zinc/27/67/33/979276733.db2.gz LLSZNTFLXKXEBW-DOMZBBRYSA-N 2 1 246.354 1.932 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236173514 979430784 /nfs/dbraw/zinc/43/07/84/979430784.db2.gz KLBMSCVLJGBOTD-JTQLQIEISA-N 2 1 206.289 1.234 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001236173514 979430795 /nfs/dbraw/zinc/43/07/95/979430795.db2.gz KLBMSCVLJGBOTD-JTQLQIEISA-N 2 1 206.289 1.234 20 10 BDCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C)cc1O ZINC001236869160 979771154 /nfs/dbraw/zinc/77/11/54/979771154.db2.gz UQFNZXCTBZDGOV-LBPRGKRZSA-N 2 1 222.332 1.870 20 10 BDCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C)cc1O ZINC001236869160 979771163 /nfs/dbraw/zinc/77/11/63/979771163.db2.gz UQFNZXCTBZDGOV-LBPRGKRZSA-N 2 1 222.332 1.870 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(N)cc1 ZINC001120268516 989621178 /nfs/dbraw/zinc/62/11/78/989621178.db2.gz HCROMOSGMHFNRH-UHFFFAOYSA-N 2 1 207.321 1.310 20 10 BDCDMP C[C@H]1CCC[N@H+](Cc2ccc(N)cc2)[C@@H]1C[NH3+] ZINC001120263967 989621849 /nfs/dbraw/zinc/62/18/49/989621849.db2.gz YGYDIFMYWQDIHU-SMDDNHRTSA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@@H]1C[NH3+] ZINC001120263967 989621855 /nfs/dbraw/zinc/62/18/55/989621855.db2.gz YGYDIFMYWQDIHU-SMDDNHRTSA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000194543369 385439088 /nfs/dbraw/zinc/43/90/88/385439088.db2.gz SQJLIRLPOQMRFR-OKILXGFUSA-N 2 1 246.354 1.694 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194543369 385439090 /nfs/dbraw/zinc/43/90/90/385439090.db2.gz SQJLIRLPOQMRFR-OKILXGFUSA-N 2 1 246.354 1.694 20 10 BDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC000194538508 173197554 /nfs/dbraw/zinc/19/75/54/173197554.db2.gz YARKCWYBJDVRHV-BETUJISGSA-N 2 1 232.327 1.386 20 10 BDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC000194538508 173197556 /nfs/dbraw/zinc/19/75/56/173197556.db2.gz YARKCWYBJDVRHV-BETUJISGSA-N 2 1 232.327 1.386 20 10 BDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC000194538508 173197558 /nfs/dbraw/zinc/19/75/58/173197558.db2.gz YARKCWYBJDVRHV-BETUJISGSA-N 2 1 232.327 1.386 20 10 BDCDMP Nc1ccc(CC[NH2+]C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903917350 584827115 /nfs/dbraw/zinc/82/71/15/584827115.db2.gz LLEXJOORUUIPBO-NSHDSACASA-N 2 1 243.301 1.383 20 10 BDCDMP C[C@H]([NH2+]CC[NH3+])c1cc2c(cc1O)CCCC2 ZINC000817934062 586843487 /nfs/dbraw/zinc/84/34/87/586843487.db2.gz BEQBZTLEMOIZER-JTQLQIEISA-N 2 1 234.343 1.880 20 10 BDCDMP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970033 586856715 /nfs/dbraw/zinc/85/67/15/586856715.db2.gz JXHWLARLVXZPLP-DTWKUNHWSA-N 2 1 224.304 1.399 20 10 BDCDMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817970475 586858396 /nfs/dbraw/zinc/85/83/96/586858396.db2.gz WXTMJRLROFBMPS-QWRGUYRKSA-N 2 1 221.348 1.750 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843057263 588077914 /nfs/dbraw/zinc/07/79/14/588077914.db2.gz HQPKZQKXOPMRLL-VXGBXAGGSA-N 2 1 234.343 1.870 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000843115709 588083076 /nfs/dbraw/zinc/08/30/76/588083076.db2.gz JJGKIILUCOCJOU-AWEZNQCLSA-N 2 1 234.343 1.871 20 10 BDCDMP CC[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000122246419 589572538 /nfs/dbraw/zinc/57/25/38/589572538.db2.gz WXJLLGPQUSDMTL-AAEUAGOBSA-N 2 1 234.343 1.951 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000873216481 589997836 /nfs/dbraw/zinc/99/78/36/589997836.db2.gz OYGPUCCPENJIIT-WCQYABFASA-N 2 1 234.343 1.727 20 10 BDCDMP Cc1cccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1O ZINC000873229222 590000513 /nfs/dbraw/zinc/00/05/13/590000513.db2.gz POSAKPGBLYYTHX-DZGCQCFKSA-N 2 1 246.354 1.742 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000126870939 590478220 /nfs/dbraw/zinc/47/82/20/590478220.db2.gz RIACFKIKJZPWHG-VXGBXAGGSA-N 2 1 234.343 1.870 20 10 BDCDMP [NH3+]C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128320179 590979400 /nfs/dbraw/zinc/97/94/00/590979400.db2.gz SIHJNYDOUYHRCI-SECBINFHSA-N 2 1 240.734 1.826 20 10 BDCDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000310824630 633002357 /nfs/dbraw/zinc/00/23/57/633002357.db2.gz CESRDABOXUMKSB-ZFWWWQNUSA-N 2 1 246.354 1.953 20 10 BDCDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000070169759 642985015 /nfs/dbraw/zinc/98/50/15/642985015.db2.gz YVGDPDCQHZNYIB-GFCCVEGCSA-N 2 1 234.343 1.953 20 10 BDCDMP Cc1cc(C[N@@H+](C)CCC[NH3+])ccc1N(C)C ZINC000923292129 644330216 /nfs/dbraw/zinc/33/02/16/644330216.db2.gz UGDDWWNSNRXWOG-UHFFFAOYSA-N 2 1 235.375 1.842 20 10 BDCDMP C[N@@H+](Cc1cc(Cl)ccc1O)C1CC([NH3+])C1 ZINC000384820643 710997481 /nfs/dbraw/zinc/99/74/81/710997481.db2.gz FBXMLWJLFOIPGW-UHFFFAOYSA-N 2 1 240.734 1.967 20 10 BDCDMP COc1cccc(C[N@@H+](C)CCC[NH3+])c1O ZINC000227742032 711832683 /nfs/dbraw/zinc/83/26/83/711832683.db2.gz FULWICNZUBDQNZ-UHFFFAOYSA-N 2 1 224.304 1.181 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000708875175 712201751 /nfs/dbraw/zinc/20/17/51/712201751.db2.gz OCGJOMOXPUERAL-CMPLNLGQSA-N 2 1 220.316 1.419 20 10 BDCDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001334754243 976622794 /nfs/dbraw/zinc/62/27/94/976622794.db2.gz MSOWUDXMPLRXJC-CYBMUJFWSA-N 2 1 221.348 1.732 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235991064 966209459 /nfs/dbraw/zinc/20/94/59/966209459.db2.gz NYJHRYPOFMSKBR-FZMZJTMJSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997621 966224409 /nfs/dbraw/zinc/22/44/09/966224409.db2.gz WNXFZBNAQDGVKN-OCCSQVGLSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997621 966224422 /nfs/dbraw/zinc/22/44/22/966224422.db2.gz WNXFZBNAQDGVKN-OCCSQVGLSA-N 2 1 232.327 1.624 20 10 BDCDMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(N)cc1 ZINC001205083317 967332770 /nfs/dbraw/zinc/33/27/70/967332770.db2.gz RZNMYYDXKIMEMH-GWCFXTLKSA-N 2 1 219.332 1.580 20 10 BDCDMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(N)cc1 ZINC001205083317 967332773 /nfs/dbraw/zinc/33/27/73/967332773.db2.gz RZNMYYDXKIMEMH-GWCFXTLKSA-N 2 1 219.332 1.580 20 10 BDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(N)cc1 ZINC001205083317 967332779 /nfs/dbraw/zinc/33/27/79/967332779.db2.gz RZNMYYDXKIMEMH-GWCFXTLKSA-N 2 1 219.332 1.580 20 10 BDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(N)cc1 ZINC001205083317 967332792 /nfs/dbraw/zinc/33/27/92/967332792.db2.gz RZNMYYDXKIMEMH-GWCFXTLKSA-N 2 1 219.332 1.580 20 10 BDCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC001205289201 967480447 /nfs/dbraw/zinc/48/04/47/967480447.db2.gz UVCMBZMUBBPTLN-CQSZACIVSA-N 2 1 233.359 1.972 20 10 BDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001205317941 967535498 /nfs/dbraw/zinc/53/54/98/967535498.db2.gz QXLSHAPMSMURMJ-DGCLKSJQSA-N 2 1 233.359 1.686 20 10 BDCDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N)cc2)C1 ZINC001205840967 967848786 /nfs/dbraw/zinc/84/87/86/967848786.db2.gz JDYQNCPXRUVPNP-BXUZGUMPSA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N)cc2)C1 ZINC001205840967 967848787 /nfs/dbraw/zinc/84/87/87/967848787.db2.gz JDYQNCPXRUVPNP-BXUZGUMPSA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205880516 967872215 /nfs/dbraw/zinc/87/22/15/967872215.db2.gz KVLWIDBVPYACCA-MFKMUULPSA-N 2 1 234.343 1.870 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205880516 967872219 /nfs/dbraw/zinc/87/22/19/967872219.db2.gz KVLWIDBVPYACCA-MFKMUULPSA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001206262664 968182729 /nfs/dbraw/zinc/18/27/29/968182729.db2.gz DFLSOZOCSMMNCF-NSHDSACASA-N 2 1 219.332 1.453 20 10 BDCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(N)cc1 ZINC001206262664 968182735 /nfs/dbraw/zinc/18/27/35/968182735.db2.gz DFLSOZOCSMMNCF-NSHDSACASA-N 2 1 219.332 1.453 20 10 BDCDMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235155956 978984563 /nfs/dbraw/zinc/98/45/63/978984563.db2.gz IYJQLWIOPCLMTJ-SWLSCSKDSA-N 2 1 246.354 1.932 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235155956 978984569 /nfs/dbraw/zinc/98/45/69/978984569.db2.gz IYJQLWIOPCLMTJ-SWLSCSKDSA-N 2 1 246.354 1.932 20 10 BDCDMP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235991529 979280475 /nfs/dbraw/zinc/28/04/75/979280475.db2.gz OJXFEIJQJBQZDZ-DZGCQCFKSA-N 2 1 246.354 1.878 20 10 BDCDMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235991529 979280487 /nfs/dbraw/zinc/28/04/87/979280487.db2.gz OJXFEIJQJBQZDZ-DZGCQCFKSA-N 2 1 246.354 1.878 20 10 BDCDMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001579692031 986184501 /nfs/dbraw/zinc/18/45/01/986184501.db2.gz PDQOTMDBYGKNKN-OAHLLOKOSA-N 2 1 246.354 1.886 20 10 BDCDMP Nc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC001120371051 989640656 /nfs/dbraw/zinc/64/06/56/989640656.db2.gz NWNOKMXCAQJUMV-GFCCVEGCSA-N 2 1 205.305 1.096 20 10 BDCDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(N)cc1)C2 ZINC001262487730 992892076 /nfs/dbraw/zinc/89/20/76/992892076.db2.gz CKKFVGVPQQPMPM-GXTWGEPZSA-N 2 1 231.343 1.310 20 10 BDCDMP Oc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994586 183301253 /nfs/dbraw/zinc/30/12/53/183301253.db2.gz UAAXXDDKCCMRPL-AWEZNQCLSA-N 2 1 232.327 1.578 20 10 BDCDMP CC(C)([NH3+])CC[NH2+]Cc1cccc(F)c1O ZINC000903939185 584823613 /nfs/dbraw/zinc/82/36/13/584823613.db2.gz TTWNZHINDROCBJ-UHFFFAOYSA-N 2 1 226.295 1.748 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843056954 585335713 /nfs/dbraw/zinc/33/57/13/585335713.db2.gz DEEFFOSCOIUEPO-NWDGAFQWSA-N 2 1 234.343 1.870 20 10 BDCDMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(C)cc1O ZINC000817934281 586843378 /nfs/dbraw/zinc/84/33/78/586843378.db2.gz FYROUMLXLOXEMT-LLVKDONJSA-N 2 1 208.305 1.700 20 10 BDCDMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817974066 586860411 /nfs/dbraw/zinc/86/04/11/586860411.db2.gz XSCMLULMJMVESA-PWSUYJOCSA-N 2 1 234.343 1.967 20 10 BDCDMP COc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1C ZINC000841064281 587941125 /nfs/dbraw/zinc/94/11/25/587941125.db2.gz XXQRAPJQXZJGCP-JTQLQIEISA-N 2 1 208.305 1.440 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000841072237 587943860 /nfs/dbraw/zinc/94/38/60/587943860.db2.gz MGHCDRJXYYCUOW-CYBMUJFWSA-N 2 1 235.375 1.888 20 10 BDCDMP C[NH2+]CCC[N@H+](C)Cc1c(O)cccc1OC ZINC000841103444 587946430 /nfs/dbraw/zinc/94/64/30/587946430.db2.gz IALBHPXPGCVHCF-UHFFFAOYSA-N 2 1 238.331 1.442 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000841103444 587946431 /nfs/dbraw/zinc/94/64/31/587946431.db2.gz IALBHPXPGCVHCF-UHFFFAOYSA-N 2 1 238.331 1.442 20 10 BDCDMP CCOc1ccc(C[N@@H+](C)CCC[NH3+])c(O)c1 ZINC000843050252 588077410 /nfs/dbraw/zinc/07/74/10/588077410.db2.gz DCVYYOHWVAUAEQ-UHFFFAOYSA-N 2 1 238.331 1.572 20 10 BDCDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000863548038 589298463 /nfs/dbraw/zinc/29/84/63/589298463.db2.gz MZXSZUURTNGLOY-WCQGTBRESA-N 2 1 232.327 1.720 20 10 BDCDMP C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000162066990 632507774 /nfs/dbraw/zinc/50/77/74/632507774.db2.gz HAMOAQSPXPDZFK-SNVBAGLBSA-N 2 1 220.316 1.448 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227054728 640811058 /nfs/dbraw/zinc/81/10/58/640811058.db2.gz OAVBSIDBEVAXJY-WCQYABFASA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1O ZINC000168844814 640829331 /nfs/dbraw/zinc/82/93/31/640829331.db2.gz LCYJMLUNZJSYGT-ZYHUDNBSSA-N 2 1 220.316 1.704 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000087472124 640898584 /nfs/dbraw/zinc/89/85/84/640898584.db2.gz HGOPBOVCKMZUJB-UHFFFAOYSA-N 2 1 222.332 1.742 20 10 BDCDMP Oc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000229321433 640946025 /nfs/dbraw/zinc/94/60/25/640946025.db2.gz BLWRWDSYQPBREM-NSHDSACASA-N 2 1 206.289 1.234 20 10 BDCDMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000925784379 646481319 /nfs/dbraw/zinc/48/13/19/646481319.db2.gz NCVSAWYIOCJJJA-YUSALJHKSA-N 2 1 232.327 1.577 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723670186 711532899 /nfs/dbraw/zinc/53/28/99/711532899.db2.gz QDTBUDCYPHZLBK-LBPRGKRZSA-N 2 1 234.343 1.871 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC000405863291 971314416 /nfs/dbraw/zinc/31/44/16/971314416.db2.gz QGMHOMGALYFVMT-ZDUSSCGKSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC000405863291 971314421 /nfs/dbraw/zinc/31/44/21/971314421.db2.gz QGMHOMGALYFVMT-ZDUSSCGKSA-N 2 1 220.316 1.624 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235986412 966201181 /nfs/dbraw/zinc/20/11/81/966201181.db2.gz DWEULTAJFZETLV-AAEUAGOBSA-N 2 1 217.316 1.192 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235986412 966201195 /nfs/dbraw/zinc/20/11/95/966201195.db2.gz DWEULTAJFZETLV-AAEUAGOBSA-N 2 1 217.316 1.192 20 10 BDCDMP Oc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380671 966654320 /nfs/dbraw/zinc/65/43/20/966654320.db2.gz GQKWOQCNIISYIV-TZMCWYRMSA-N 2 1 246.354 1.966 20 10 BDCDMP Cc1cc(C)c(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206730731 968447642 /nfs/dbraw/zinc/44/76/42/968447642.db2.gz XQUANQDEFBWPLR-UHFFFAOYSA-N 2 1 234.343 1.790 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@@H]1C[NH3+] ZINC001334754224 976623506 /nfs/dbraw/zinc/62/35/06/976623506.db2.gz MJRGRGSUSSCFKR-DGCLKSJQSA-N 2 1 233.359 1.686 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334774812 976641240 /nfs/dbraw/zinc/64/12/40/976641240.db2.gz OXZWRQCUCPYWFC-AAEUAGOBSA-N 2 1 233.359 1.828 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237410099 979885100 /nfs/dbraw/zinc/88/51/00/979885100.db2.gz BJLVEFHMFJTGGD-ZFWWWQNUSA-N 2 1 245.370 1.843 20 10 BDCDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001345159314 980570133 /nfs/dbraw/zinc/57/01/33/980570133.db2.gz GBTAMRWOIUBNRV-ZDUSSCGKSA-N 2 1 219.332 1.440 20 10 BDCDMP C[N@H+](Cc1ccccc1O)CC1CC[NH2+]CC1 ZINC000094010781 384285823 /nfs/dbraw/zinc/28/58/23/384285823.db2.gz LYPONGNJSGBFFG-UHFFFAOYSA-N 2 1 234.343 1.824 20 10 BDCDMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000857226540 588895941 /nfs/dbraw/zinc/89/59/41/588895941.db2.gz QUCPGBJOYHLZPH-GXTWGEPZSA-N 2 1 232.327 1.705 20 10 BDCDMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000902417545 584590987 /nfs/dbraw/zinc/59/09/87/584590987.db2.gz SOSLMENBZHGGKN-LLVKDONJSA-N 2 1 233.359 1.895 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000841076957 584764558 /nfs/dbraw/zinc/76/45/58/584764558.db2.gz UUCLIABKEAKQTN-NWDGAFQWSA-N 2 1 235.375 1.886 20 10 BDCDMP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(N)cc1 ZINC000903473950 584776586 /nfs/dbraw/zinc/77/65/86/584776586.db2.gz CONOBOFACZDONW-PWSUYJOCSA-N 2 1 219.332 1.832 20 10 BDCDMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(N)cc1 ZINC000903473950 584776587 /nfs/dbraw/zinc/77/65/87/584776587.db2.gz CONOBOFACZDONW-PWSUYJOCSA-N 2 1 219.332 1.832 20 10 BDCDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000841085451 584883494 /nfs/dbraw/zinc/88/34/94/584883494.db2.gz CQHUCOPUYZPXJP-CYBMUJFWSA-N 2 1 234.343 1.931 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000843053099 585332235 /nfs/dbraw/zinc/33/22/35/585332235.db2.gz YMDUMSBVQDQNOW-YPMHNXCESA-N 2 1 234.343 1.870 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000843053085 585332374 /nfs/dbraw/zinc/33/23/74/585332374.db2.gz YMDUMSBVQDQNOW-DGCLKSJQSA-N 2 1 234.343 1.870 20 10 BDCDMP CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647992 585682463 /nfs/dbraw/zinc/68/24/63/585682463.db2.gz LFVUKDHNWDRUAN-UHFFFAOYSA-N 2 1 247.386 1.890 20 10 BDCDMP COc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1O ZINC000841028681 587936687 /nfs/dbraw/zinc/93/66/87/587936687.db2.gz QNWADTKVLICLIG-NSHDSACASA-N 2 1 236.315 1.228 20 10 BDCDMP Cc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1O ZINC000841028771 587936816 /nfs/dbraw/zinc/93/68/16/587936816.db2.gz RLYPBXPXTKBPFB-GFCCVEGCSA-N 2 1 220.316 1.528 20 10 BDCDMP Cc1cccc(C[NH2+][C@@H]2CNCC[C@H]2C)c1O ZINC000841057609 587940363 /nfs/dbraw/zinc/94/03/63/587940363.db2.gz ASTHZKSTMQGGJD-ZWNOBZJWSA-N 2 1 234.343 1.788 20 10 BDCDMP C[C@H](C[NH3+])[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841061494 587941393 /nfs/dbraw/zinc/94/13/93/587941393.db2.gz ZLKRYKFIDBVGJG-QMAVJUDZSA-N 2 1 233.359 1.703 20 10 BDCDMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CC[NH2+]1 ZINC000841061166 587941893 /nfs/dbraw/zinc/94/18/93/587941893.db2.gz FRFTWNBXPGAIAV-MWLCHTKSSA-N 2 1 238.306 1.761 20 10 BDCDMP CC[N@H+](CCN)Cc1cc(C)c(C)cc1O ZINC000863644576 589306913 /nfs/dbraw/zinc/30/69/13/589306913.db2.gz ATLRNNJDGAZWFS-UHFFFAOYSA-N 2 1 222.332 1.790 20 10 BDCDMP CC[N@@H+](CCN)Cc1cc(C)c(C)cc1O ZINC000863644576 589306914 /nfs/dbraw/zinc/30/69/14/589306914.db2.gz ATLRNNJDGAZWFS-UHFFFAOYSA-N 2 1 222.332 1.790 20 10 BDCDMP CC[N@H+](CCN)Cc1ccc(N(C)C)cc1C ZINC000863643956 589306923 /nfs/dbraw/zinc/30/69/23/589306923.db2.gz DLOHTDFCFJYEBN-UHFFFAOYSA-N 2 1 235.375 1.842 20 10 BDCDMP CC[N@@H+](CCN)Cc1ccc(N(C)C)cc1C ZINC000863643956 589306925 /nfs/dbraw/zinc/30/69/25/589306925.db2.gz DLOHTDFCFJYEBN-UHFFFAOYSA-N 2 1 235.375 1.842 20 10 BDCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3O)CC[C@@H]21 ZINC000877742723 590408214 /nfs/dbraw/zinc/40/82/14/590408214.db2.gz GCUHFCBXDZEHPR-JSGCOSHPSA-N 2 1 246.354 1.918 20 10 BDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000877742723 590408217 /nfs/dbraw/zinc/40/82/17/590408217.db2.gz GCUHFCBXDZEHPR-JSGCOSHPSA-N 2 1 246.354 1.918 20 10 BDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000877742723 590408220 /nfs/dbraw/zinc/40/82/20/590408220.db2.gz GCUHFCBXDZEHPR-JSGCOSHPSA-N 2 1 246.354 1.918 20 10 BDCDMP C[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1C[NH3+] ZINC000252219791 635641635 /nfs/dbraw/zinc/64/16/35/635641635.db2.gz YSGNHAYMMQYRNB-YPMHNXCESA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2O)[C@H]1C[NH3+] ZINC000252219791 635641642 /nfs/dbraw/zinc/64/16/42/635641642.db2.gz YSGNHAYMMQYRNB-YPMHNXCESA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000843129580 645266579 /nfs/dbraw/zinc/26/65/79/645266579.db2.gz PXIDOIYLXMHSMR-IUCAKERBSA-N 2 1 226.295 1.747 20 10 BDCDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000925785466 646481153 /nfs/dbraw/zinc/48/11/53/646481153.db2.gz PIIHZPAOYXXLPV-NQBHXWOUSA-N 2 1 234.343 1.959 20 10 BDCDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1O ZINC000379983175 712643847 /nfs/dbraw/zinc/64/38/47/712643847.db2.gz SXSXFFWBQGVLQT-MWLCHTKSSA-N 2 1 206.289 1.314 20 10 BDCDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1O ZINC000379983175 712643848 /nfs/dbraw/zinc/64/38/48/712643848.db2.gz SXSXFFWBQGVLQT-MWLCHTKSSA-N 2 1 206.289 1.314 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000386458308 711030145 /nfs/dbraw/zinc/03/01/45/711030145.db2.gz SGDRVJALXNOZON-HNNXBMFYSA-N 2 1 247.386 1.923 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723678484 711533809 /nfs/dbraw/zinc/53/38/09/711533809.db2.gz UFGFUXURHAYYQI-CQSZACIVSA-N 2 1 247.386 1.923 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1CC[NH3+] ZINC000723893276 711544246 /nfs/dbraw/zinc/54/42/46/711544246.db2.gz XLQDXFANXWEAJR-VXGBXAGGSA-N 2 1 234.343 1.809 20 10 BDCDMP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235991536 966206868 /nfs/dbraw/zinc/20/68/68/966206868.db2.gz OJXFEIJQJBQZDZ-ZFWWWQNUSA-N 2 1 246.354 1.878 20 10 BDCDMP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235991536 966206890 /nfs/dbraw/zinc/20/68/90/966206890.db2.gz OJXFEIJQJBQZDZ-ZFWWWQNUSA-N 2 1 246.354 1.878 20 10 BDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001205110551 967360294 /nfs/dbraw/zinc/36/02/94/967360294.db2.gz VTCPZVLHIBCKGB-NSHDSACASA-N 2 1 236.315 1.411 20 10 BDCDMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC001205140327 967390579 /nfs/dbraw/zinc/39/05/79/967390579.db2.gz HBWPXPFOOBZIAT-WCQYABFASA-N 2 1 234.343 1.727 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205182628 967413739 /nfs/dbraw/zinc/41/37/39/967413739.db2.gz DXHZXPWXIQJMDH-DGCLKSJQSA-N 2 1 234.343 1.931 20 10 BDCDMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205182628 967413744 /nfs/dbraw/zinc/41/37/44/967413744.db2.gz DXHZXPWXIQJMDH-DGCLKSJQSA-N 2 1 234.343 1.931 20 10 BDCDMP Nc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC001334775502 976643859 /nfs/dbraw/zinc/64/38/59/976643859.db2.gz ZSEOJEBZDCBPKD-CQSZACIVSA-N 2 1 233.359 1.972 20 10 BDCDMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001235977270 979241287 /nfs/dbraw/zinc/24/12/87/979241287.db2.gz FYUAGQBMNBEJSQ-WCQYABFASA-N 2 1 218.300 1.315 20 10 BDCDMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001235977270 979241296 /nfs/dbraw/zinc/24/12/96/979241296.db2.gz FYUAGQBMNBEJSQ-WCQYABFASA-N 2 1 218.300 1.315 20 10 BDCDMP CCc1ccc(C[N@@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236251718 979470170 /nfs/dbraw/zinc/47/01/70/979470170.db2.gz ZJMAMRNWIOLALB-CYBMUJFWSA-N 2 1 234.343 1.878 20 10 BDCDMP CCc1ccc(C[N@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236251718 979470177 /nfs/dbraw/zinc/47/01/77/979470177.db2.gz ZJMAMRNWIOLALB-CYBMUJFWSA-N 2 1 234.343 1.878 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC001352791648 982581067 /nfs/dbraw/zinc/58/10/67/982581067.db2.gz YVVGHIIGAXBEGX-LBPRGKRZSA-N 2 1 233.359 1.830 20 10 BDCDMP CN(C)c1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001578425589 985056471 /nfs/dbraw/zinc/05/64/71/985056471.db2.gz HAMGXSMPIYAUFH-FICVDOATSA-N 2 1 245.370 1.402 20 10 BDCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001578425589 985056490 /nfs/dbraw/zinc/05/64/90/985056490.db2.gz HAMGXSMPIYAUFH-FICVDOATSA-N 2 1 245.370 1.402 20 10 BDCDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(F)c1O ZINC001117953979 987968445 /nfs/dbraw/zinc/96/84/45/987968445.db2.gz VWUHJIDXGLIRLE-SECBINFHSA-N 2 1 226.295 1.476 20 10 BDCDMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(F)c1O ZINC001117953980 987969774 /nfs/dbraw/zinc/96/97/74/987969774.db2.gz VWUHJIDXGLIRLE-VIFPVBQESA-N 2 1 226.295 1.476 20 10 BDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000380056168 993311574 /nfs/dbraw/zinc/31/15/74/993311574.db2.gz NHXGIPOUQMVYIS-GFCCVEGCSA-N 2 1 234.343 1.953 20 10 BDCDMP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000841035729 584042776 /nfs/dbraw/zinc/04/27/76/584042776.db2.gz LAUAGPSVQBMVAZ-GFCCVEGCSA-N 2 1 220.316 1.542 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000841076959 584764456 /nfs/dbraw/zinc/76/44/56/584764456.db2.gz UUCLIABKEAKQTN-VXGBXAGGSA-N 2 1 235.375 1.886 20 10 BDCDMP Nc1ccc(CC[NH2+]C[C@H]([NH3+])CC(F)F)cc1 ZINC000903917348 584826801 /nfs/dbraw/zinc/82/68/01/584826801.db2.gz LLEXJOORUUIPBO-LLVKDONJSA-N 2 1 243.301 1.383 20 10 BDCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904301124 584861289 /nfs/dbraw/zinc/86/12/89/584861289.db2.gz HEZJMDYJTZGKCE-OKILXGFUSA-N 2 1 247.386 1.922 20 10 BDCDMP C[C@@H]([NH2+]CC[NH3+])c1cc2c(cc1O)CCCC2 ZINC000817934063 586842861 /nfs/dbraw/zinc/84/28/61/586842861.db2.gz BEQBZTLEMOIZER-SNVBAGLBSA-N 2 1 234.343 1.880 20 10 BDCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1O ZINC000817959438 586851865 /nfs/dbraw/zinc/85/18/65/586851865.db2.gz FYNNPADIMNHZSS-JOYOIKCWSA-N 2 1 220.316 1.780 20 10 BDCDMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817972185 586859013 /nfs/dbraw/zinc/85/90/13/586859013.db2.gz UWPPINVTCIYUCL-QWRGUYRKSA-N 2 1 221.348 1.750 20 10 BDCDMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N(C)C)cc1 ZINC000817976519 586860237 /nfs/dbraw/zinc/86/02/37/586860237.db2.gz MWSLVCGSEZUDPW-RABLLNBGSA-N 2 1 245.370 1.621 20 10 BDCDMP [NH3+]C[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000841028766 587936164 /nfs/dbraw/zinc/93/61/64/587936164.db2.gz REWWOTUJCLFAAY-NSHDSACASA-N 2 1 206.289 1.219 20 10 BDCDMP Oc1c(F)cccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032545 587937002 /nfs/dbraw/zinc/93/70/02/587937002.db2.gz GOAIQEOKYUERPJ-SNVBAGLBSA-N 2 1 238.306 1.621 20 10 BDCDMP [NH3+][C@H](C[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000841049303 587939788 /nfs/dbraw/zinc/93/97/88/587939788.db2.gz JPBXUQKSCZBVGV-LLVKDONJSA-N 2 1 224.279 1.358 20 10 BDCDMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000841062602 587941422 /nfs/dbraw/zinc/94/14/22/587941422.db2.gz AWKYRBZSGXDTNV-JOYOIKCWSA-N 2 1 238.306 1.619 20 10 BDCDMP Oc1c(F)cccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841093498 587946343 /nfs/dbraw/zinc/94/63/43/587946343.db2.gz UEIZGXNRYANDSG-UHFFFAOYSA-N 2 1 238.306 1.763 20 10 BDCDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000863548034 589298483 /nfs/dbraw/zinc/29/84/83/589298483.db2.gz MZXSZUURTNGLOY-MVWJERBFSA-N 2 1 232.327 1.720 20 10 BDCDMP CC[N@H+](CCN)Cc1cccc(C)c1O ZINC000863644065 589307240 /nfs/dbraw/zinc/30/72/40/589307240.db2.gz INKKIYXGYYJNFG-UHFFFAOYSA-N 2 1 208.305 1.481 20 10 BDCDMP CC[N@@H+](CCN)Cc1cccc(C)c1O ZINC000863644065 589307242 /nfs/dbraw/zinc/30/72/42/589307242.db2.gz INKKIYXGYYJNFG-UHFFFAOYSA-N 2 1 208.305 1.481 20 10 BDCDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219733672 592240500 /nfs/dbraw/zinc/24/05/00/592240500.db2.gz VAYMPJVOXRVFIO-SNVBAGLBSA-N 2 1 238.306 1.702 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000310372969 635758937 /nfs/dbraw/zinc/75/89/37/635758937.db2.gz OMRUSHXUWQPLOD-AWEZNQCLSA-N 2 1 234.343 1.871 20 10 BDCDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000258842657 635211233 /nfs/dbraw/zinc/21/12/33/635211233.db2.gz DTEXPLLBZSBCKE-ZIAGYGMSSA-N 2 1 246.354 1.981 20 10 BDCDMP Oc1ccccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841090999 639237331 /nfs/dbraw/zinc/23/73/31/639237331.db2.gz RWOFHGRZOGMHLO-LBPRGKRZSA-N 2 1 220.316 1.624 20 10 BDCDMP CC[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000251901748 644831083 /nfs/dbraw/zinc/83/10/83/644831083.db2.gz WXJLLGPQUSDMTL-WCQYABFASA-N 2 1 234.343 1.951 20 10 BDCDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925781528 646476978 /nfs/dbraw/zinc/47/69/78/646476978.db2.gz AINDAAYADYCAMF-NTZNESFSSA-N 2 1 234.343 1.959 20 10 BDCDMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000380671496 712902218 /nfs/dbraw/zinc/90/22/18/712902218.db2.gz BKHCCEXHBXNQMM-QWRGUYRKSA-N 2 1 221.348 1.578 20 10 BDCDMP Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)[NH3+])c1O ZINC001236895635 979787272 /nfs/dbraw/zinc/78/72/72/979787272.db2.gz UKTVEBBOGGJOKR-NSHDSACASA-N 2 1 222.332 1.788 20 10 BDCDMP Cc1ccc(C)c(C[N@H+](C)C[C@H](C)[NH3+])c1O ZINC001236895635 979787279 /nfs/dbraw/zinc/78/72/79/979787279.db2.gz UKTVEBBOGGJOKR-NSHDSACASA-N 2 1 222.332 1.788 20 10 BDCDMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205093969 965722945 /nfs/dbraw/zinc/72/29/45/965722945.db2.gz IGBSKUNMRCBPKV-LLVKDONJSA-N 2 1 236.315 1.411 20 10 BDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205093969 965722949 /nfs/dbraw/zinc/72/29/49/965722949.db2.gz IGBSKUNMRCBPKV-LLVKDONJSA-N 2 1 236.315 1.411 20 10 BDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001205110550 967356143 /nfs/dbraw/zinc/35/61/43/967356143.db2.gz VTCPZVLHIBCKGB-LLVKDONJSA-N 2 1 236.315 1.411 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150726 967395893 /nfs/dbraw/zinc/39/58/93/967395893.db2.gz ITEXZAXUJLLVAR-NWDGAFQWSA-N 2 1 234.343 1.727 20 10 BDCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N)cc2)C1 ZINC001205840970 967849228 /nfs/dbraw/zinc/84/92/28/967849228.db2.gz JDYQNCPXRUVPNP-RISCZKNCSA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N)cc2)C1 ZINC001205840970 967849231 /nfs/dbraw/zinc/84/92/31/967849231.db2.gz JDYQNCPXRUVPNP-RISCZKNCSA-N 2 1 233.359 1.828 20 10 BDCDMP CN(C)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206730373 968445102 /nfs/dbraw/zinc/44/51/02/968445102.db2.gz UWQQPASNMDWKRI-UHFFFAOYSA-N 2 1 249.358 1.239 20 10 BDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001335285588 976924157 /nfs/dbraw/zinc/92/41/57/976924157.db2.gz QEQFPBBKSBBCGL-LBPRGKRZSA-N 2 1 219.332 1.310 20 10 BDCDMP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235991533 979281548 /nfs/dbraw/zinc/28/15/48/979281548.db2.gz OJXFEIJQJBQZDZ-UKRRQHHQSA-N 2 1 246.354 1.878 20 10 BDCDMP CCc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235991533 979281565 /nfs/dbraw/zinc/28/15/65/979281565.db2.gz OJXFEIJQJBQZDZ-UKRRQHHQSA-N 2 1 246.354 1.878 20 10 BDCDMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]([NH3+])C2)c1O ZINC001236172139 979428816 /nfs/dbraw/zinc/42/88/16/979428816.db2.gz WYGOXSYXZSMQJG-NSHDSACASA-N 2 1 220.316 1.542 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2CC[C@H]([NH3+])C2)c1O ZINC001236172139 979428831 /nfs/dbraw/zinc/42/88/31/979428831.db2.gz WYGOXSYXZSMQJG-NSHDSACASA-N 2 1 220.316 1.542 20 10 BDCDMP C[N@H+](Cc1ccc(N)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219836 979455928 /nfs/dbraw/zinc/45/59/28/979455928.db2.gz XQDPQULKPXFGKF-KGLIPLIRSA-N 2 1 233.359 1.971 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219836 979455936 /nfs/dbraw/zinc/45/59/36/979455936.db2.gz XQDPQULKPXFGKF-KGLIPLIRSA-N 2 1 233.359 1.971 20 10 BDCDMP c1cc2c(cc1C[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCO2 ZINC001262488020 992892848 /nfs/dbraw/zinc/89/28/48/992892848.db2.gz NGBROINBFUOEDU-NHAGDIPZSA-N 2 1 244.338 1.319 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001336286522 994999275 /nfs/dbraw/zinc/99/92/75/994999275.db2.gz QZZQPUFJFLKQLD-TZMCWYRMSA-N 2 1 231.343 1.453 20 10 BDCDMP Oc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994583 183302237 /nfs/dbraw/zinc/30/22/37/183302237.db2.gz UAAXXDDKCCMRPL-CQSZACIVSA-N 2 1 232.327 1.578 20 10 BDCDMP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(F)c1O ZINC000841047945 584124507 /nfs/dbraw/zinc/12/45/07/584124507.db2.gz FEHLEGZDIDGLPT-QMMMGPOBSA-N 2 1 212.268 1.216 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000843127260 586413411 /nfs/dbraw/zinc/41/34/11/586413411.db2.gz PCQWBTMSVVHONB-OCCSQVGLSA-N 2 1 246.354 1.884 20 10 BDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000817953601 586848653 /nfs/dbraw/zinc/84/86/53/586848653.db2.gz OXXXQNLHKJOAEM-NWDGAFQWSA-N 2 1 232.327 1.721 20 10 BDCDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957615 586850424 /nfs/dbraw/zinc/85/04/24/586850424.db2.gz NGHUBLSRBYLLIF-FZMZJTMJSA-N 2 1 233.359 1.399 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817979280 586862038 /nfs/dbraw/zinc/86/20/38/586862038.db2.gz JMLJGCGPIZNPGV-WCBMZHEXSA-N 2 1 226.295 1.919 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841070594 587942937 /nfs/dbraw/zinc/94/29/37/587942937.db2.gz RIJNJQNDJIIUBC-GFCCVEGCSA-N 2 1 221.348 1.580 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078955 587945055 /nfs/dbraw/zinc/94/50/55/587945055.db2.gz FOKJTFPIYNUGMM-FICVDOATSA-N 2 1 245.370 1.368 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843057261 588077462 /nfs/dbraw/zinc/07/74/62/588077462.db2.gz HQPKZQKXOPMRLL-NWDGAFQWSA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000084946455 631455385 /nfs/dbraw/zinc/45/53/85/631455385.db2.gz GTFRCGNUOGDCCG-WFASDCNBSA-N 2 1 247.386 1.922 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1ccccc1O ZINC000087472211 640898365 /nfs/dbraw/zinc/89/83/65/640898365.db2.gz FLNRNFVUANHHQJ-UHFFFAOYSA-N 2 1 208.305 1.434 20 10 BDCDMP C[N@@H+](CCC[NH3+])Cc1c(O)cccc1Cl ZINC000227742787 641738970 /nfs/dbraw/zinc/73/89/70/641738970.db2.gz YQIPICICSZLOGV-UHFFFAOYSA-N 2 1 228.723 1.826 20 10 BDCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320319 643201708 /nfs/dbraw/zinc/20/17/08/643201708.db2.gz PSEWQDCDKADKLK-OKILXGFUSA-N 2 1 245.370 1.404 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245221 643661539 /nfs/dbraw/zinc/66/15/39/643661539.db2.gz AVHGSBPQJOVSIQ-CYBMUJFWSA-N 2 1 233.359 1.533 20 10 BDCDMP COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000090320512 644589255 /nfs/dbraw/zinc/58/92/55/644589255.db2.gz FDVLGNMKQYNOFM-TXEJJXNPSA-N 2 1 248.326 1.052 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000251658206 644815737 /nfs/dbraw/zinc/81/57/37/644815737.db2.gz GTFRCGNUOGDCCG-IUODEOHRSA-N 2 1 247.386 1.922 20 10 BDCDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925781525 646477057 /nfs/dbraw/zinc/47/70/57/646477057.db2.gz AINDAAYADYCAMF-NQBHXWOUSA-N 2 1 234.343 1.959 20 10 BDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@]2(C)C1 ZINC000702390172 712050056 /nfs/dbraw/zinc/05/00/56/712050056.db2.gz DHXXEEKHZVHKDA-HIFRSBDPSA-N 2 1 246.354 1.776 20 10 BDCDMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@]2(C)C1 ZINC000702390172 712050057 /nfs/dbraw/zinc/05/00/57/712050057.db2.gz DHXXEEKHZVHKDA-HIFRSBDPSA-N 2 1 246.354 1.776 20 10 BDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@]2(C)C1 ZINC000702390172 712050058 /nfs/dbraw/zinc/05/00/58/712050058.db2.gz DHXXEEKHZVHKDA-HIFRSBDPSA-N 2 1 246.354 1.776 20 10 BDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@]2(C)C1 ZINC000702390172 712050060 /nfs/dbraw/zinc/05/00/60/712050060.db2.gz DHXXEEKHZVHKDA-HIFRSBDPSA-N 2 1 246.354 1.776 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC000405863286 971315499 /nfs/dbraw/zinc/31/54/99/971315499.db2.gz QGMHOMGALYFVMT-CYBMUJFWSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC000405863286 971315501 /nfs/dbraw/zinc/31/55/01/971315501.db2.gz QGMHOMGALYFVMT-CYBMUJFWSA-N 2 1 220.316 1.624 20 10 BDCDMP [NH3+]CC1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001205033454 967297313 /nfs/dbraw/zinc/29/73/13/967297313.db2.gz HPRFMMOEEGXBBD-UHFFFAOYSA-N 2 1 238.306 1.702 20 10 BDCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2O)C1 ZINC001205807184 967829813 /nfs/dbraw/zinc/82/98/13/967829813.db2.gz YKTFJVSHSIQQKS-YPMHNXCESA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2O)C1 ZINC001205807184 967829815 /nfs/dbraw/zinc/82/98/15/967829815.db2.gz YKTFJVSHSIQQKS-YPMHNXCESA-N 2 1 234.343 1.951 20 10 BDCDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(N)cc1 ZINC001336284798 977615929 /nfs/dbraw/zinc/61/59/29/977615929.db2.gz DEXRZBJVZYSAIU-LBPRGKRZSA-N 2 1 207.321 1.342 20 10 BDCDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988512 979267083 /nfs/dbraw/zinc/26/70/83/979267083.db2.gz GQCJOZMCNVJSAL-OCCSQVGLSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988512 979267092 /nfs/dbraw/zinc/26/70/92/979267092.db2.gz GQCJOZMCNVJSAL-OCCSQVGLSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990645 979272358 /nfs/dbraw/zinc/27/23/58/979272358.db2.gz NFAVIPNKYNXNJD-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990645 979272365 /nfs/dbraw/zinc/27/23/65/979272365.db2.gz NFAVIPNKYNXNJD-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236250095 979468532 /nfs/dbraw/zinc/46/85/32/979468532.db2.gz BRNYSSRZYOFXTF-CYBMUJFWSA-N 2 1 249.358 1.381 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236250095 979468537 /nfs/dbraw/zinc/46/85/37/979468537.db2.gz BRNYSSRZYOFXTF-CYBMUJFWSA-N 2 1 249.358 1.381 20 10 BDCDMP Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC001356083734 983569318 /nfs/dbraw/zinc/56/93/18/983569318.db2.gz ZJVRIKFKHMUGND-AWEZNQCLSA-N 2 1 233.359 1.876 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001336286509 994999796 /nfs/dbraw/zinc/99/97/96/994999796.db2.gz QZZQPUFJFLKQLD-JSGCOSHPSA-N 2 1 231.343 1.453 20 10 BDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000216058784 583169298 /nfs/dbraw/zinc/16/92/98/583169298.db2.gz JZIPFPQVEOOPHS-JSGCOSHPSA-N 2 1 247.386 1.922 20 10 BDCDMP CN(C)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000841049572 584124232 /nfs/dbraw/zinc/12/42/32/584124232.db2.gz LIJNFGOMCYIUEA-CQSZACIVSA-N 2 1 233.359 1.580 20 10 BDCDMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841076701 584752979 /nfs/dbraw/zinc/75/29/79/584752979.db2.gz MMLVXRQAVZPNQX-NXEZZACHSA-N 2 1 239.338 1.717 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420630 584882358 /nfs/dbraw/zinc/88/23/58/584882358.db2.gz CGAQKPCHBOWKGK-GXTWGEPZSA-N 2 1 246.354 1.742 20 10 BDCDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957613 586850824 /nfs/dbraw/zinc/85/08/24/586850824.db2.gz NGHUBLSRBYLLIF-BXUZGUMPSA-N 2 1 233.359 1.399 20 10 BDCDMP C[NH2+]CCC[NH2+]Cc1c(O)cccc1Cl ZINC000841043639 587939222 /nfs/dbraw/zinc/93/92/22/587939222.db2.gz ZFWJEPLCCWBYHO-UHFFFAOYSA-N 2 1 228.723 1.745 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841071350 587942398 /nfs/dbraw/zinc/94/23/98/587942398.db2.gz DQAJPUUGUIWSIY-NSHDSACASA-N 2 1 239.338 1.719 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843127259 588085265 /nfs/dbraw/zinc/08/52/65/588085265.db2.gz PCQWBTMSVVHONB-JSGCOSHPSA-N 2 1 246.354 1.884 20 10 BDCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000044535358 640402048 /nfs/dbraw/zinc/40/20/48/640402048.db2.gz BTCPKWITVRYGRB-LBPRGKRZSA-N 2 1 234.343 1.824 20 10 BDCDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC000228534721 640879032 /nfs/dbraw/zinc/87/90/32/640879032.db2.gz QWWVLFDTKNSXHH-MRVWCRGKSA-N 2 1 246.354 1.951 20 10 BDCDMP Oc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000229321445 640946864 /nfs/dbraw/zinc/94/68/64/640946864.db2.gz BLWRWDSYQPBREM-LLVKDONJSA-N 2 1 206.289 1.234 20 10 BDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245445 643660513 /nfs/dbraw/zinc/66/05/13/643660513.db2.gz RAMYRSLSFKUJMQ-JTQLQIEISA-N 2 1 236.315 1.181 20 10 BDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245444 643661687 /nfs/dbraw/zinc/66/16/87/643661687.db2.gz RAMYRSLSFKUJMQ-SNVBAGLBSA-N 2 1 236.315 1.181 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000251658209 644815035 /nfs/dbraw/zinc/81/50/35/644815035.db2.gz GTFRCGNUOGDCCG-SWLSCSKDSA-N 2 1 247.386 1.922 20 10 BDCDMP COc1ccc(O)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000227745211 711832771 /nfs/dbraw/zinc/83/27/71/711832771.db2.gz ONDDSJZVJDOWSJ-UHFFFAOYSA-N 2 1 224.304 1.181 20 10 BDCDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000723670799 710731568 /nfs/dbraw/zinc/73/15/68/710731568.db2.gz PBNLBSPZXOHZMW-SNVBAGLBSA-N 2 1 238.306 1.702 20 10 BDCDMP CN(C)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000384735022 710953200 /nfs/dbraw/zinc/95/32/00/710953200.db2.gz BWWYOWLVIIEMCB-UHFFFAOYSA-N 2 1 233.359 1.674 20 10 BDCDMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000380671493 712902420 /nfs/dbraw/zinc/90/24/20/712902420.db2.gz BKHCCEXHBXNQMM-GHMZBOCLSA-N 2 1 221.348 1.578 20 10 BDCDMP C[N@@H+](Cc1cc(F)ccc1O)C1CC([NH3+])C1 ZINC000395011850 711199543 /nfs/dbraw/zinc/19/95/43/711199543.db2.gz UWAVZIFFURJKAS-UHFFFAOYSA-N 2 1 224.279 1.453 20 10 BDCDMP COc1ccc(O)c(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000384936132 712706521 /nfs/dbraw/zinc/70/65/21/712706521.db2.gz DLQYFZHNKNMXNO-UHFFFAOYSA-N 2 1 236.315 1.322 20 10 BDCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(C)c1O ZINC001236870394 979778149 /nfs/dbraw/zinc/77/81/49/979778149.db2.gz QUHTYNCHZQOLJQ-LBPRGKRZSA-N 2 1 222.332 1.870 20 10 BDCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C)c1O ZINC001236870394 979778164 /nfs/dbraw/zinc/77/81/64/979778164.db2.gz QUHTYNCHZQOLJQ-LBPRGKRZSA-N 2 1 222.332 1.870 20 10 BDCDMP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001236903867 979790383 /nfs/dbraw/zinc/79/03/83/979790383.db2.gz HGJZTHGTELEJCV-JTQLQIEISA-N 2 1 237.347 1.237 20 10 BDCDMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001236903867 979790399 /nfs/dbraw/zinc/79/03/99/979790399.db2.gz HGJZTHGTELEJCV-JTQLQIEISA-N 2 1 237.347 1.237 20 10 BDCDMP CCc1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204685125 963619118 /nfs/dbraw/zinc/61/91/18/963619118.db2.gz TXCLOZZYVVHDOF-UHFFFAOYSA-N 2 1 234.343 1.750 20 10 BDCDMP CCc1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204685125 963619122 /nfs/dbraw/zinc/61/91/22/963619122.db2.gz TXCLOZZYVVHDOF-UHFFFAOYSA-N 2 1 234.343 1.750 20 10 BDCDMP C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219856 966311486 /nfs/dbraw/zinc/31/14/86/966311486.db2.gz XQDPQULKPXFGKF-ZIAGYGMSSA-N 2 1 233.359 1.971 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219856 966311498 /nfs/dbraw/zinc/31/14/98/966311498.db2.gz XQDPQULKPXFGKF-ZIAGYGMSSA-N 2 1 233.359 1.971 20 10 BDCDMP C[C@H]1CC[N@H+](Cc2ccc(N)cc2)CC[NH2+]1 ZINC001210499766 969910800 /nfs/dbraw/zinc/91/08/00/969910800.db2.gz WSVQRISZQWBXSE-NSHDSACASA-N 2 1 219.332 1.453 20 10 BDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)CC[NH2+]1 ZINC001210499766 969910805 /nfs/dbraw/zinc/91/08/05/969910805.db2.gz WSVQRISZQWBXSE-NSHDSACASA-N 2 1 219.332 1.453 20 10 BDCDMP C[C@H]1C[C@H]([N@H+]2CCc3cccc(O)c3C2)CC[NH2+]1 ZINC001246870596 973253793 /nfs/dbraw/zinc/25/37/93/973253793.db2.gz VXTAIAIMPCCBJC-WCQYABFASA-N 2 1 246.354 1.891 20 10 BDCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC001336286198 977614541 /nfs/dbraw/zinc/61/45/41/977614541.db2.gz OLRAFEYBVLLPBU-TZMCWYRMSA-N 2 1 233.359 1.828 20 10 BDCDMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001235977272 979242265 /nfs/dbraw/zinc/24/22/65/979242265.db2.gz FYUAGQBMNBEJSQ-YPMHNXCESA-N 2 1 218.300 1.315 20 10 BDCDMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001235977272 979242275 /nfs/dbraw/zinc/24/22/75/979242275.db2.gz FYUAGQBMNBEJSQ-YPMHNXCESA-N 2 1 218.300 1.315 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC001356083524 983570472 /nfs/dbraw/zinc/57/04/72/983570472.db2.gz QYQLHGYPNSELIU-LBPRGKRZSA-N 2 1 219.332 1.440 20 10 BDCDMP Nc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC001356083735 983573389 /nfs/dbraw/zinc/57/33/89/983573389.db2.gz ZJVRIKFKHMUGND-CQSZACIVSA-N 2 1 233.359 1.876 20 10 BDCDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N)cc1 ZINC001120268396 989622437 /nfs/dbraw/zinc/62/24/37/989622437.db2.gz DHIPQJVDIYXVOU-GXFFZTMASA-N 2 1 219.332 1.580 20 10 BDCDMP C[NH+]1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000037267169 343342081 /nfs/dbraw/zinc/34/20/81/343342081.db2.gz OUHXWXWLOYLUOO-UHFFFAOYSA-N 2 1 220.316 1.576 20 10 BDCDMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1O ZINC000168104452 385348415 /nfs/dbraw/zinc/34/84/15/385348415.db2.gz CCGSYEROEDGLOG-UHFFFAOYSA-N 2 1 222.332 1.776 20 10 BDCDMP COc1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1O ZINC000853246130 588728517 /nfs/dbraw/zinc/72/85/17/588728517.db2.gz HCGAQLSBUXVUEX-UHFFFAOYSA-N 2 1 248.326 1.242 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000904405399 584878350 /nfs/dbraw/zinc/87/83/50/584878350.db2.gz HBWLQDNSLUPFDQ-LBPRGKRZSA-N 2 1 234.343 1.871 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1C[NH3+] ZINC000904411546 584879830 /nfs/dbraw/zinc/87/98/30/584879830.db2.gz MELHORFVXSZWOO-VXGBXAGGSA-N 2 1 234.343 1.809 20 10 BDCDMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817894130 586833841 /nfs/dbraw/zinc/83/38/41/586833841.db2.gz BYCDORRBKJPBFS-UONOGXRCSA-N 2 1 233.359 1.722 20 10 BDCDMP CC[C@H]([NH2+]CC[NH3+])c1ccc(C)cc1O ZINC000817934282 586843549 /nfs/dbraw/zinc/84/35/49/586843549.db2.gz FYROUMLXLOXEMT-NSHDSACASA-N 2 1 208.305 1.700 20 10 BDCDMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000817960265 586851301 /nfs/dbraw/zinc/85/13/01/586851301.db2.gz LHBYWTJRECOYTK-NWDGAFQWSA-N 2 1 232.327 1.706 20 10 BDCDMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1O ZINC000817966342 586855342 /nfs/dbraw/zinc/85/53/42/586855342.db2.gz LUGZHJJYHNTOLY-KOLCDFICSA-N 2 1 208.305 1.780 20 10 BDCDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1O ZINC000841087651 587945718 /nfs/dbraw/zinc/94/57/18/587945718.db2.gz PGUYILTZGPVZMU-LBPRGKRZSA-N 2 1 222.332 1.855 20 10 BDCDMP C[N@@H+](Cc1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC000843045106 588076185 /nfs/dbraw/zinc/07/61/85/588076185.db2.gz IIHVSBJFDRUEMZ-UHFFFAOYSA-N 2 1 238.306 1.715 20 10 BDCDMP Oc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120191 588082727 /nfs/dbraw/zinc/08/27/27/588082727.db2.gz PUHSEXGTIYMWMT-UHFFFAOYSA-N 2 1 246.354 1.968 20 10 BDCDMP Oc1ccccc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229693 590001650 /nfs/dbraw/zinc/00/16/50/590001650.db2.gz DVJZGEWFALIQDO-ZIAGYGMSSA-N 2 1 232.327 1.766 20 10 BDCDMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1O ZINC000873259038 590012852 /nfs/dbraw/zinc/01/28/52/590012852.db2.gz XVIWMGVYNDIWFG-QXEWZRGKSA-N 2 1 238.306 1.919 20 10 BDCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3O)CC[C@H]21 ZINC000877742722 590407851 /nfs/dbraw/zinc/40/78/51/590407851.db2.gz GCUHFCBXDZEHPR-GXTWGEPZSA-N 2 1 246.354 1.918 20 10 BDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21 ZINC000877742722 590407854 /nfs/dbraw/zinc/40/78/54/590407854.db2.gz GCUHFCBXDZEHPR-GXTWGEPZSA-N 2 1 246.354 1.918 20 10 BDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC000877742722 590407856 /nfs/dbraw/zinc/40/78/56/590407856.db2.gz GCUHFCBXDZEHPR-GXTWGEPZSA-N 2 1 246.354 1.918 20 10 BDCDMP C[N@@H+](CCC[NH3+])Cc1cc(F)ccc1O ZINC000220232091 592292008 /nfs/dbraw/zinc/29/20/08/592292008.db2.gz JVJLLNPFJSBTCO-UHFFFAOYSA-N 2 1 212.268 1.312 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000084946453 631454437 /nfs/dbraw/zinc/45/44/37/631454437.db2.gz GTFRCGNUOGDCCG-DOMZBBRYSA-N 2 1 247.386 1.922 20 10 BDCDMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000169233844 633158759 /nfs/dbraw/zinc/15/87/59/633158759.db2.gz JPUWJPNXZJGZHY-GFCCVEGCSA-N 2 1 220.316 1.576 20 10 BDCDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000169233844 633158765 /nfs/dbraw/zinc/15/87/65/633158765.db2.gz JPUWJPNXZJGZHY-GFCCVEGCSA-N 2 1 220.316 1.576 20 10 BDCDMP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1N(C)C ZINC000923361242 644386413 /nfs/dbraw/zinc/38/64/13/644386413.db2.gz HCKWTSYAZSVFKQ-UHFFFAOYSA-N 2 1 247.386 1.983 20 10 BDCDMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000925785470 646481458 /nfs/dbraw/zinc/48/14/58/646481458.db2.gz PIIHZPAOYXXLPV-NTZNESFSSA-N 2 1 234.343 1.959 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000708890253 712202592 /nfs/dbraw/zinc/20/25/92/712202592.db2.gz WJQNWTIBOMHSNB-MWLCHTKSSA-N 2 1 238.306 1.558 20 10 BDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001205317942 967532977 /nfs/dbraw/zinc/53/29/77/967532977.db2.gz QXLSHAPMSMURMJ-WCQYABFASA-N 2 1 233.359 1.686 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC001334754805 976623658 /nfs/dbraw/zinc/62/36/58/976623658.db2.gz RSCDCFAMMBWOFY-OCCSQVGLSA-N 2 1 231.343 1.582 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC001334754805 976623665 /nfs/dbraw/zinc/62/36/65/976623665.db2.gz RSCDCFAMMBWOFY-OCCSQVGLSA-N 2 1 231.343 1.582 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001334754803 976625191 /nfs/dbraw/zinc/62/51/91/976625191.db2.gz RSCDCFAMMBWOFY-GXTWGEPZSA-N 2 1 231.343 1.582 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001334754803 976625195 /nfs/dbraw/zinc/62/51/95/976625195.db2.gz RSCDCFAMMBWOFY-GXTWGEPZSA-N 2 1 231.343 1.582 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H]1CC[NH3+] ZINC001337838757 978522414 /nfs/dbraw/zinc/52/24/14/978522414.db2.gz SHSHXHQZYQHKES-DGCLKSJQSA-N 2 1 233.359 1.686 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237410092 979886891 /nfs/dbraw/zinc/88/68/91/979886891.db2.gz BJLVEFHMFJTGGD-DZGCQCFKSA-N 2 1 245.370 1.843 20 10 BDCDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001356082910 983570259 /nfs/dbraw/zinc/57/02/59/983570259.db2.gz HMAWKOXSCSYRIL-RISCZKNCSA-N 2 1 233.359 1.971 20 10 BDCDMP C[C@H]1CCC[N@H+](Cc2ccc(N)cc2)[C@H]1C[NH3+] ZINC001120263965 989621497 /nfs/dbraw/zinc/62/14/97/989621497.db2.gz YGYDIFMYWQDIHU-FZMZJTMJSA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@H]1C[NH3+] ZINC001120263965 989621502 /nfs/dbraw/zinc/62/15/02/989621502.db2.gz YGYDIFMYWQDIHU-FZMZJTMJSA-N 2 1 233.359 1.828 20 10 BDCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000020146009 342972086 /nfs/dbraw/zinc/97/20/86/342972086.db2.gz SEMGWGGFSPVXDS-UHFFFAOYSA-N 2 1 247.386 1.936 20 10 BDCDMP Cc1cc(O)c(C[NH2+]CC23CC(C2)C[NH2+]3)cc1C ZINC000853246004 588728650 /nfs/dbraw/zinc/72/86/50/588728650.db2.gz GGPTWXAWMHLFEC-UHFFFAOYSA-N 2 1 246.354 1.851 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000841076958 584764239 /nfs/dbraw/zinc/76/42/39/584764239.db2.gz UUCLIABKEAKQTN-RYUDHWBXSA-N 2 1 235.375 1.886 20 10 BDCDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000770395094 585573690 /nfs/dbraw/zinc/57/36/90/585573690.db2.gz OOPJACQIPRKUSF-OKILXGFUSA-N 2 1 246.354 1.660 20 10 BDCDMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000817953306 586848823 /nfs/dbraw/zinc/84/88/23/586848823.db2.gz ZTIDAOBFFIIORT-MNOVXSKESA-N 2 1 220.316 1.795 20 10 BDCDMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)ccc1O ZINC000817977310 586861643 /nfs/dbraw/zinc/86/16/43/586861643.db2.gz HGJYDTGDOHKKSU-UVRHIYEWSA-N 2 1 236.290 1.400 20 10 BDCDMP Oc1c(F)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026506 587935247 /nfs/dbraw/zinc/93/52/47/587935247.db2.gz FQZXJCUTMSISEO-UHFFFAOYSA-N 2 1 224.279 1.373 20 10 BDCDMP CN(C)c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1F ZINC000841031005 587936374 /nfs/dbraw/zinc/93/63/74/587936374.db2.gz NRPAIQHTPCJKTQ-UHFFFAOYSA-N 2 1 239.338 1.719 20 10 BDCDMP C[C@H]1CCNC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841058453 587940810 /nfs/dbraw/zinc/94/08/10/587940810.db2.gz HEMWVDSLODJIKO-JOYOIKCWSA-N 2 1 238.306 1.619 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[NH3+] ZINC000841060868 587941338 /nfs/dbraw/zinc/94/13/38/587941338.db2.gz RIHTWBCWANFFEH-LLVKDONJSA-N 2 1 221.348 1.498 20 10 BDCDMP CCN(CC)c1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000841063507 587942240 /nfs/dbraw/zinc/94/22/40/587942240.db2.gz KYLUMQASRUJLPW-LBPRGKRZSA-N 2 1 235.375 1.970 20 10 BDCDMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](C)[NH3+] ZINC000841078628 587944583 /nfs/dbraw/zinc/94/45/83/587944583.db2.gz GMWHQKDSQOZCLY-VHSXEESVSA-N 2 1 220.316 1.447 20 10 BDCDMP CCOc1ccc(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841079128 587945198 /nfs/dbraw/zinc/94/51/98/587945198.db2.gz ZCXOGYYKUYNSLR-IMRBUKKESA-N 2 1 248.326 1.098 20 10 BDCDMP Nc1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000843126658 588084838 /nfs/dbraw/zinc/08/48/38/588084838.db2.gz SFHVTBCJKYNXAB-ZDUSSCGKSA-N 2 1 219.332 1.153 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000215984995 592000780 /nfs/dbraw/zinc/00/07/80/592000780.db2.gz XTAJWQDQEKRHGU-RYUDHWBXSA-N 2 1 234.343 1.870 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094338776 635298869 /nfs/dbraw/zinc/29/88/69/635298869.db2.gz OAVBSIDBEVAXJY-DGCLKSJQSA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC000163405862 636693251 /nfs/dbraw/zinc/69/32/51/636693251.db2.gz KFVCFYCSMTYJDP-AAEUAGOBSA-N 2 1 234.343 1.809 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000251830935 644825301 /nfs/dbraw/zinc/82/53/01/644825301.db2.gz PNNFQMRBBZTXKA-CMPLNLGQSA-N 2 1 220.316 1.561 20 10 BDCDMP C[N@@H+](Cc1ccccc1O)C[C@@]1(C)CC[NH2+]C1 ZINC000843060901 645257891 /nfs/dbraw/zinc/25/78/91/645257891.db2.gz RCGTVSAFOMJGEX-AWEZNQCLSA-N 2 1 234.343 1.824 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000708875178 712202174 /nfs/dbraw/zinc/20/21/74/712202174.db2.gz OCGJOMOXPUERAL-ZYHUDNBSSA-N 2 1 220.316 1.419 20 10 BDCDMP Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709789118 712226869 /nfs/dbraw/zinc/22/68/69/712226869.db2.gz HJTKSXDJNFRZJZ-OAHLLOKOSA-N 2 1 246.354 1.968 20 10 BDCDMP C[C@@H]([NH2+]CC[NH3+])c1ccc(N(C)C)cc1 ZINC000037712897 712744697 /nfs/dbraw/zinc/74/46/97/712744697.db2.gz BLLWKDDEPSYKPD-SNVBAGLBSA-N 2 1 207.321 1.362 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)C[C@H]1C[NH3+] ZINC001205140829 966025089 /nfs/dbraw/zinc/02/50/89/966025089.db2.gz OQSHOHNRHHRJSI-GXSJLCMTSA-N 2 1 236.315 1.124 20 10 BDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203563364 966691721 /nfs/dbraw/zinc/69/17/21/966691721.db2.gz ZRQMQJNOMCMXIS-OKILXGFUSA-N 2 1 246.354 1.776 20 10 BDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203563364 966691732 /nfs/dbraw/zinc/69/17/32/966691732.db2.gz ZRQMQJNOMCMXIS-OKILXGFUSA-N 2 1 246.354 1.776 20 10 BDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203563364 966691742 /nfs/dbraw/zinc/69/17/42/966691742.db2.gz ZRQMQJNOMCMXIS-OKILXGFUSA-N 2 1 246.354 1.776 20 10 BDCDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2O)C1 ZINC001205807182 967831482 /nfs/dbraw/zinc/83/14/82/967831482.db2.gz YKTFJVSHSIQQKS-DGCLKSJQSA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2O)C1 ZINC001205807182 967831486 /nfs/dbraw/zinc/83/14/86/967831486.db2.gz YKTFJVSHSIQQKS-DGCLKSJQSA-N 2 1 234.343 1.951 20 10 BDCDMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001579692030 986191473 /nfs/dbraw/zinc/19/14/73/986191473.db2.gz PDQOTMDBYGKNKN-HNNXBMFYSA-N 2 1 246.354 1.886 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001120263588 989622083 /nfs/dbraw/zinc/62/20/83/989622083.db2.gz SLBFGUALBDLJBX-GWCFXTLKSA-N 2 1 219.332 1.438 20 10 BDCDMP Nc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC001120269262 989622175 /nfs/dbraw/zinc/62/21/75/989622175.db2.gz PPOPZDWFPUJORX-CQSZACIVSA-N 2 1 233.359 1.972 20 10 BDCDMP Nc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC001120269262 989622190 /nfs/dbraw/zinc/62/21/90/989622190.db2.gz PPOPZDWFPUJORX-CQSZACIVSA-N 2 1 233.359 1.972 20 10 BDCDMP Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC001120371052 989639060 /nfs/dbraw/zinc/63/90/60/989639060.db2.gz NWNOKMXCAQJUMV-LBPRGKRZSA-N 2 1 205.305 1.096 20 10 BDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285701 995002603 /nfs/dbraw/zinc/00/26/03/995002603.db2.gz MOFDQYJMZQUGHS-HIFRSBDPSA-N 2 1 245.370 1.795 20 10 BDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285701 995002615 /nfs/dbraw/zinc/00/26/15/995002615.db2.gz MOFDQYJMZQUGHS-HIFRSBDPSA-N 2 1 245.370 1.795 20 10 BDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285701 995002624 /nfs/dbraw/zinc/00/26/24/995002624.db2.gz MOFDQYJMZQUGHS-HIFRSBDPSA-N 2 1 245.370 1.795 20 10 BDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285701 995002632 /nfs/dbraw/zinc/00/26/32/995002632.db2.gz MOFDQYJMZQUGHS-HIFRSBDPSA-N 2 1 245.370 1.795 20 10 BDCDMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000854226687 588780689 /nfs/dbraw/zinc/78/06/89/588780689.db2.gz JWKPXEGQQAGDSS-CDWSIMAYSA-N 2 1 232.327 1.795 20 10 BDCDMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000841058262 584125786 /nfs/dbraw/zinc/12/57/86/584125786.db2.gz RJWQTQKSDMQWMA-MNOVXSKESA-N 2 1 238.306 1.891 20 10 BDCDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957617 584991722 /nfs/dbraw/zinc/99/17/22/584991722.db2.gz NGHUBLSRBYLLIF-RISCZKNCSA-N 2 1 233.359 1.399 20 10 BDCDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[N@H+]1C ZINC000817956273 586849891 /nfs/dbraw/zinc/84/98/91/586849891.db2.gz VNRNFJXPDVJFOF-IUODEOHRSA-N 2 1 247.386 1.884 20 10 BDCDMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000841028765 587936793 /nfs/dbraw/zinc/93/67/93/587936793.db2.gz REWWOTUJCLFAAY-LLVKDONJSA-N 2 1 206.289 1.219 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1cccc(C)c1O ZINC000841104103 587946297 /nfs/dbraw/zinc/94/62/97/587946297.db2.gz NNDITGSSTXCVHL-UHFFFAOYSA-N 2 1 222.332 1.742 20 10 BDCDMP Cc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000843120225 588083573 /nfs/dbraw/zinc/08/35/73/588083573.db2.gz ACOHKJZBCCNFRA-ZYHUDNBSSA-N 2 1 220.316 1.480 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000843120225 588083575 /nfs/dbraw/zinc/08/35/75/588083575.db2.gz ACOHKJZBCCNFRA-ZYHUDNBSSA-N 2 1 220.316 1.480 20 10 BDCDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128320433 590978743 /nfs/dbraw/zinc/97/87/43/590978743.db2.gz SIHJNYDOUYHRCI-VIFPVBQESA-N 2 1 240.734 1.826 20 10 BDCDMP C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000162066871 633019577 /nfs/dbraw/zinc/01/95/77/633019577.db2.gz HAMOAQSPXPDZFK-JTQLQIEISA-N 2 1 220.316 1.448 20 10 BDCDMP CN(C)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1F ZINC000904448899 637413553 /nfs/dbraw/zinc/41/35/53/637413553.db2.gz DQDFKBQMYQKUGV-UHFFFAOYSA-N 2 1 237.322 1.473 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044527755 640401124 /nfs/dbraw/zinc/40/11/24/640401124.db2.gz MBRGPNPEIUXUBT-AWEZNQCLSA-N 2 1 247.386 1.923 20 10 BDCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CC[N@@H+]1C ZINC000090721244 711503438 /nfs/dbraw/zinc/50/34/38/711503438.db2.gz ULPUYZMYDUJNPC-AAEUAGOBSA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CC[N@H+]1C ZINC000090721244 711503441 /nfs/dbraw/zinc/50/34/41/711503441.db2.gz ULPUYZMYDUJNPC-AAEUAGOBSA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000253189193 711764376 /nfs/dbraw/zinc/76/43/76/711764376.db2.gz KFVCFYCSMTYJDP-DGCLKSJQSA-N 2 1 234.343 1.809 20 10 BDCDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000703547806 712078932 /nfs/dbraw/zinc/07/89/32/712078932.db2.gz KXHQJHALRSUZBF-GXTWGEPZSA-N 2 1 232.327 1.434 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986416 966200553 /nfs/dbraw/zinc/20/05/53/966200553.db2.gz DWEULTAJFZETLV-DGCLKSJQSA-N 2 1 217.316 1.192 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986416 966200567 /nfs/dbraw/zinc/20/05/67/966200567.db2.gz DWEULTAJFZETLV-DGCLKSJQSA-N 2 1 217.316 1.192 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1O ZINC001204792706 967176083 /nfs/dbraw/zinc/17/60/83/967176083.db2.gz YVXWNTKNEBZPNN-ZDUSSCGKSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1O ZINC001204792706 967176092 /nfs/dbraw/zinc/17/60/92/967176092.db2.gz YVXWNTKNEBZPNN-ZDUSSCGKSA-N 2 1 220.316 1.624 20 10 BDCDMP CN1CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001256210970 970716930 /nfs/dbraw/zinc/71/69/30/970716930.db2.gz OZKIIDGVWRKDKP-UHFFFAOYSA-N 2 1 246.354 1.845 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)C1CCC([NH3+])CC1 ZINC001335285803 976924247 /nfs/dbraw/zinc/92/42/47/976924247.db2.gz RAOYMBVKHNOCOM-UHFFFAOYSA-N 2 1 233.359 1.971 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235170439 978987648 /nfs/dbraw/zinc/98/76/48/978987648.db2.gz LBCUIDGHUCRLHP-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235170439 978987654 /nfs/dbraw/zinc/98/76/54/978987654.db2.gz LBCUIDGHUCRLHP-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235176493 978989571 /nfs/dbraw/zinc/98/95/71/978989571.db2.gz XBFNURDLKXJCKN-SMDDNHRTSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235176493 978989579 /nfs/dbraw/zinc/98/95/79/978989579.db2.gz XBFNURDLKXJCKN-SMDDNHRTSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988510 979266819 /nfs/dbraw/zinc/26/68/19/979266819.db2.gz GQCJOZMCNVJSAL-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988510 979266828 /nfs/dbraw/zinc/26/68/28/979266828.db2.gz GQCJOZMCNVJSAL-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c1O ZINC001236172130 979429913 /nfs/dbraw/zinc/42/99/13/979429913.db2.gz WYGOXSYXZSMQJG-LLVKDONJSA-N 2 1 220.316 1.542 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])C2)c1O ZINC001236172130 979429925 /nfs/dbraw/zinc/42/99/25/979429925.db2.gz WYGOXSYXZSMQJG-LLVKDONJSA-N 2 1 220.316 1.542 20 10 BDCDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC001246865764 988617189 /nfs/dbraw/zinc/61/71/89/988617189.db2.gz RADGSWGKRQVYBX-DGCLKSJQSA-N 2 1 234.343 1.965 20 10 BDCDMP C[N@H+](Cc1ccc(N)cc1)CC(C)(C)[NH3+] ZINC001262487777 992894203 /nfs/dbraw/zinc/89/42/03/992894203.db2.gz FOCDJOJSOXEBOI-UHFFFAOYSA-N 2 1 207.321 1.438 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)CC(C)(C)[NH3+] ZINC001262487777 992894209 /nfs/dbraw/zinc/89/42/09/992894209.db2.gz FOCDJOJSOXEBOI-UHFFFAOYSA-N 2 1 207.321 1.438 20 10 BDCDMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000037363036 343343959 /nfs/dbraw/zinc/34/39/59/343343959.db2.gz MARYOCLELZHXFO-UHFFFAOYSA-N 2 1 246.354 1.805 20 10 BDCDMP [NH3+]C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000020521450 181344589 /nfs/dbraw/zinc/34/45/89/181344589.db2.gz BLUADVYMBGQCLW-UHFFFAOYSA-N 2 1 240.734 1.969 20 10 BDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000216058656 583169429 /nfs/dbraw/zinc/16/94/29/583169429.db2.gz JZIPFPQVEOOPHS-TZMCWYRMSA-N 2 1 247.386 1.922 20 10 BDCDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841028161 584025506 /nfs/dbraw/zinc/02/55/06/584025506.db2.gz BWWRFULMKPIYOZ-CYBMUJFWSA-N 2 1 234.343 1.694 20 10 BDCDMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000841058270 584125959 /nfs/dbraw/zinc/12/59/59/584125959.db2.gz RJWQTQKSDMQWMA-QWRGUYRKSA-N 2 1 238.306 1.891 20 10 BDCDMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1O ZINC000873253027 584128153 /nfs/dbraw/zinc/12/81/53/584128153.db2.gz XVIWMGVYNDIWFG-ATZCPNFKSA-N 2 1 238.306 1.919 20 10 BDCDMP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000904405449 584878706 /nfs/dbraw/zinc/87/87/06/584878706.db2.gz JANPNSPCACDTTR-JTQLQIEISA-N 2 1 238.306 1.702 20 10 BDCDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000904405449 584878707 /nfs/dbraw/zinc/87/87/07/584878707.db2.gz JANPNSPCACDTTR-JTQLQIEISA-N 2 1 238.306 1.702 20 10 BDCDMP Cc1cc(C)c([C@@H](C)[NH2+]CC[NH3+])c(O)c1 ZINC000817937659 586844019 /nfs/dbraw/zinc/84/40/19/586844019.db2.gz ZAFJEHXLMFBCQX-SNVBAGLBSA-N 2 1 208.305 1.618 20 10 BDCDMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000817953305 586849296 /nfs/dbraw/zinc/84/92/96/586849296.db2.gz ZTIDAOBFFIIORT-GHMZBOCLSA-N 2 1 220.316 1.795 20 10 BDCDMP Cc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c(O)c1 ZINC000817966296 586854585 /nfs/dbraw/zinc/85/45/85/586854585.db2.gz KXZSUOZHJSOMTJ-NXEZZACHSA-N 2 1 208.305 1.698 20 10 BDCDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000817966896 586855547 /nfs/dbraw/zinc/85/55/47/586855547.db2.gz YBJFFPQBBAMXQT-NXEZZACHSA-N 2 1 208.305 1.698 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817979281 586862207 /nfs/dbraw/zinc/86/22/07/586862207.db2.gz JMLJGCGPIZNPGV-WPRPVWTQSA-N 2 1 226.295 1.919 20 10 BDCDMP [NH3+][C@@H](C[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000841049304 587939881 /nfs/dbraw/zinc/93/98/81/587939881.db2.gz JPBXUQKSCZBVGV-NSHDSACASA-N 2 1 224.279 1.358 20 10 BDCDMP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccccc1O ZINC000841085549 587945500 /nfs/dbraw/zinc/94/55/00/587945500.db2.gz GSUWNTIFNQKNRP-GFCCVEGCSA-N 2 1 220.316 1.622 20 10 BDCDMP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000841084532 587945606 /nfs/dbraw/zinc/94/56/06/587945606.db2.gz KHGCNHVDCVFCOF-KOLCDFICSA-N 2 1 238.306 1.748 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000843048453 588075739 /nfs/dbraw/zinc/07/57/39/588075739.db2.gz WPOPDEJEMZBGAX-NSHDSACASA-N 2 1 220.316 1.481 20 10 BDCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000843048553 588077384 /nfs/dbraw/zinc/07/73/84/588077384.db2.gz GZTFFYQYJPKGMJ-LBPRGKRZSA-N 2 1 234.343 1.790 20 10 BDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000843053507 588077389 /nfs/dbraw/zinc/07/73/89/588077389.db2.gz ZKXWJCAHBPXWNJ-LBPRGKRZSA-N 2 1 234.343 1.742 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843127258 588085154 /nfs/dbraw/zinc/08/51/54/588085154.db2.gz PCQWBTMSVVHONB-GXTWGEPZSA-N 2 1 246.354 1.884 20 10 BDCDMP Cc1cccc(C[N@@H+](C)CCOCC[NH3+])c1O ZINC000863649582 589306693 /nfs/dbraw/zinc/30/66/93/589306693.db2.gz ASKWZEFUOXVTKB-UHFFFAOYSA-N 2 1 238.331 1.108 20 10 BDCDMP C[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000873216545 589998142 /nfs/dbraw/zinc/99/81/42/589998142.db2.gz QEJHFQGAHXODOZ-GXSJLCMTSA-N 2 1 238.306 1.558 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000873216545 589998144 /nfs/dbraw/zinc/99/81/44/589998144.db2.gz QEJHFQGAHXODOZ-GXSJLCMTSA-N 2 1 238.306 1.558 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000876743842 590236307 /nfs/dbraw/zinc/23/63/07/590236307.db2.gz IVYLZAWGKWTVAE-GXTWGEPZSA-N 2 1 246.354 1.884 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000876743842 590236309 /nfs/dbraw/zinc/23/63/09/590236309.db2.gz IVYLZAWGKWTVAE-GXTWGEPZSA-N 2 1 246.354 1.884 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000310808023 632998063 /nfs/dbraw/zinc/99/80/63/632998063.db2.gz AJKSTMUXXCREEQ-OAHLLOKOSA-N 2 1 246.354 1.886 20 10 BDCDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1O ZINC000168844905 640828455 /nfs/dbraw/zinc/82/84/55/640828455.db2.gz LCYJMLUNZJSYGT-CMPLNLGQSA-N 2 1 220.316 1.704 20 10 BDCDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1O ZINC000168845000 640829117 /nfs/dbraw/zinc/82/91/17/640829117.db2.gz LCYJMLUNZJSYGT-PWSUYJOCSA-N 2 1 220.316 1.704 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228065278 640858683 /nfs/dbraw/zinc/85/86/83/640858683.db2.gz XTAJWQDQEKRHGU-NEPJUHHUSA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@@H]1C[NH3+] ZINC000070175710 642985966 /nfs/dbraw/zinc/98/59/66/642985966.db2.gz YSGNHAYMMQYRNB-DGCLKSJQSA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2O)[C@@H]1C[NH3+] ZINC000070175710 642985976 /nfs/dbraw/zinc/98/59/76/642985976.db2.gz YSGNHAYMMQYRNB-DGCLKSJQSA-N 2 1 234.343 1.951 20 10 BDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320617 644588968 /nfs/dbraw/zinc/58/89/68/644588968.db2.gz RFQOEOYBWYALQB-TXEJJXNPSA-N 2 1 248.326 1.052 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000381309960 710620525 /nfs/dbraw/zinc/62/05/25/710620525.db2.gz CSJMYALGJNEVFZ-OCCSQVGLSA-N 2 1 246.354 1.884 20 10 BDCDMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CC[N@@H+]1C ZINC000090721239 711503259 /nfs/dbraw/zinc/50/32/59/711503259.db2.gz ULPUYZMYDUJNPC-WCQYABFASA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CC[N@H+]1C ZINC000090721239 711503261 /nfs/dbraw/zinc/50/32/61/711503261.db2.gz ULPUYZMYDUJNPC-WCQYABFASA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000168515131 711684503 /nfs/dbraw/zinc/68/45/03/711684503.db2.gz KXMIPCKVRURRCB-MNOVXSKESA-N 2 1 220.316 1.561 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@]1(C)C[NH3+] ZINC000379751581 712397371 /nfs/dbraw/zinc/39/73/71/712397371.db2.gz NHDOJTYMMVTPFD-BXUZGUMPSA-N 2 1 234.343 1.809 20 10 BDCDMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1O ZINC000379983183 712643865 /nfs/dbraw/zinc/64/38/65/712643865.db2.gz SXSXFFWBQGVLQT-ONGXEEELSA-N 2 1 206.289 1.314 20 10 BDCDMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1O ZINC000379983183 712643866 /nfs/dbraw/zinc/64/38/66/712643866.db2.gz SXSXFFWBQGVLQT-ONGXEEELSA-N 2 1 206.289 1.314 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1C[NH3+] ZINC000708887428 960078771 /nfs/dbraw/zinc/07/87/71/960078771.db2.gz FGHXRQZRYOIYEW-GXSJLCMTSA-N 2 1 236.315 1.124 20 10 BDCDMP Nc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222254088 960516041 /nfs/dbraw/zinc/51/60/41/960516041.db2.gz VNBSBAHIPZQUHZ-OAHLLOKOSA-N 2 1 245.370 1.987 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222254088 960516054 /nfs/dbraw/zinc/51/60/54/960516054.db2.gz VNBSBAHIPZQUHZ-OAHLLOKOSA-N 2 1 245.370 1.987 20 10 BDCDMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205093971 965722436 /nfs/dbraw/zinc/72/24/36/965722436.db2.gz IGBSKUNMRCBPKV-NSHDSACASA-N 2 1 236.315 1.411 20 10 BDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205093971 965722448 /nfs/dbraw/zinc/72/24/48/965722448.db2.gz IGBSKUNMRCBPKV-NSHDSACASA-N 2 1 236.315 1.411 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000699524614 965936748 /nfs/dbraw/zinc/93/67/48/965936748.db2.gz QSNCJIWEKCXLOT-UHFFFAOYSA-N 2 1 238.331 1.108 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235991066 966208926 /nfs/dbraw/zinc/20/89/26/966208926.db2.gz NYJHRYPOFMSKBR-RISCZKNCSA-N 2 1 232.327 1.624 20 10 BDCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001203558321 966692903 /nfs/dbraw/zinc/69/29/03/966692903.db2.gz DNFSRACHHXMMBK-UKRRQHHQSA-N 2 1 246.354 1.776 20 10 BDCDMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001205101374 967347066 /nfs/dbraw/zinc/34/70/66/967347066.db2.gz DJCNHACERQIRLG-LLVKDONJSA-N 2 1 238.306 1.845 20 10 BDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001205101374 967347082 /nfs/dbraw/zinc/34/70/82/967347082.db2.gz DJCNHACERQIRLG-LLVKDONJSA-N 2 1 238.306 1.845 20 10 BDCDMP Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314024 979524089 /nfs/dbraw/zinc/52/40/89/979524089.db2.gz GLYDIHVWTLPEIG-BETUJISGSA-N 2 1 246.354 1.824 20 10 BDCDMP Cc1cc(C)c(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236900736 979788882 /nfs/dbraw/zinc/78/88/82/979788882.db2.gz XCHALGUSOHLQOZ-NSHDSACASA-N 2 1 222.332 1.788 20 10 BDCDMP Cc1cc(C)c(C[N@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236900736 979788900 /nfs/dbraw/zinc/78/89/00/979788900.db2.gz XCHALGUSOHLQOZ-NSHDSACASA-N 2 1 222.332 1.788 20 10 BDCDMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)C[NH2+]1 ZINC001246466938 987825924 /nfs/dbraw/zinc/82/59/24/987825924.db2.gz QVDMIOZEXSRKDE-SMDDNHRTSA-N 2 1 233.359 1.541 20 10 BDCDMP Cc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1O ZINC000083361138 179090882 /nfs/dbraw/zinc/09/08/82/179090882.db2.gz HTTMOIVXVHKQSU-UHFFFAOYSA-N 2 1 234.343 1.884 20 10 BDCDMP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1O ZINC000817938645 586844527 /nfs/dbraw/zinc/84/45/27/586844527.db2.gz OVKAEABSQZLWNG-LLVKDONJSA-N 2 1 226.295 1.921 20 10 BDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000817953603 586849460 /nfs/dbraw/zinc/84/94/60/586849460.db2.gz OXXXQNLHKJOAEM-VXGBXAGGSA-N 2 1 232.327 1.721 20 10 BDCDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970512 586858432 /nfs/dbraw/zinc/85/84/32/586858432.db2.gz YBJFFPQBBAMXQT-VHSXEESVSA-N 2 1 208.305 1.698 20 10 BDCDMP Cc1cccc(C[NH2+][C@H]2CNCC[C@H]2C)c1O ZINC000841057608 587940531 /nfs/dbraw/zinc/94/05/31/587940531.db2.gz ASTHZKSTMQGGJD-MFKMUULPSA-N 2 1 234.343 1.788 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000843048452 588076010 /nfs/dbraw/zinc/07/60/10/588076010.db2.gz WPOPDEJEMZBGAX-LLVKDONJSA-N 2 1 220.316 1.481 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000843124825 588083306 /nfs/dbraw/zinc/08/33/06/588083306.db2.gz ICGCMKQLTKAPHW-UHFFFAOYSA-N 2 1 247.386 1.983 20 10 BDCDMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000873216480 589997900 /nfs/dbraw/zinc/99/79/00/589997900.db2.gz OYGPUCCPENJIIT-DGCLKSJQSA-N 2 1 234.343 1.727 20 10 BDCDMP Oc1ccccc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229692 590001687 /nfs/dbraw/zinc/00/16/87/590001687.db2.gz DVJZGEWFALIQDO-UONOGXRCSA-N 2 1 232.327 1.766 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000126809436 590458463 /nfs/dbraw/zinc/45/84/63/590458463.db2.gz IZIWIZHNIOPASS-JSGCOSHPSA-N 2 1 247.386 1.922 20 10 BDCDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219733602 592240531 /nfs/dbraw/zinc/24/05/31/592240531.db2.gz VAYMPJVOXRVFIO-JTQLQIEISA-N 2 1 238.306 1.702 20 10 BDCDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000050245320 631972452 /nfs/dbraw/zinc/97/24/52/631972452.db2.gz KCNDKUWEZBKHIO-JTQLQIEISA-N 2 1 206.289 1.173 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245222 643661864 /nfs/dbraw/zinc/66/18/64/643661864.db2.gz AVHGSBPQJOVSIQ-ZDUSSCGKSA-N 2 1 233.359 1.533 20 10 BDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1O ZINC000220338095 645890393 /nfs/dbraw/zinc/89/03/93/645890393.db2.gz XHYBWYSVKBHVCD-ZJUUUORDSA-N 2 1 238.306 1.700 20 10 BDCDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000723712723 711535506 /nfs/dbraw/zinc/53/55/06/711535506.db2.gz RNROPVYEDNSJPK-LLVKDONJSA-N 2 1 220.316 1.563 20 10 BDCDMP Cc1cccc(C[N@H+](C)[C@H](C)CN)c1O ZINC000381714516 710681981 /nfs/dbraw/zinc/68/19/81/710681981.db2.gz KVGCRVPACSWWBR-SNVBAGLBSA-N 2 1 208.305 1.480 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000708823704 712199862 /nfs/dbraw/zinc/19/98/62/712199862.db2.gz VYHOOXKTICEUQP-GXTWGEPZSA-N 2 1 247.386 1.779 20 10 BDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001205095248 967339392 /nfs/dbraw/zinc/33/93/92/967339392.db2.gz WFADTZOIQVSNPN-GFCCVEGCSA-N 2 1 220.316 1.705 20 10 BDCDMP Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC001246279156 972253319 /nfs/dbraw/zinc/25/33/19/972253319.db2.gz NSRZLSNKHDIIAD-FOSCPWQOSA-N 2 1 248.326 1.470 20 10 BDCDMP CN(C)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204789869 963572026 /nfs/dbraw/zinc/57/20/26/963572026.db2.gz DKXBHBMLGVYZRS-CQSZACIVSA-N 2 1 249.358 1.381 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204789869 963572031 /nfs/dbraw/zinc/57/20/31/963572031.db2.gz DKXBHBMLGVYZRS-CQSZACIVSA-N 2 1 249.358 1.381 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997618 966220650 /nfs/dbraw/zinc/22/06/50/966220650.db2.gz WNXFZBNAQDGVKN-JSGCOSHPSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997618 966220665 /nfs/dbraw/zinc/22/06/65/966220665.db2.gz WNXFZBNAQDGVKN-JSGCOSHPSA-N 2 1 232.327 1.624 20 10 BDCDMP C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328681927 973265889 /nfs/dbraw/zinc/26/58/89/973265889.db2.gz PDHDDKJFVADPIF-GFCCVEGCSA-N 2 1 233.359 1.724 20 10 BDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2O)CC[C@@H]1F ZINC001206154034 974314891 /nfs/dbraw/zinc/31/48/91/974314891.db2.gz GLRFEOSAXRILHI-RYUDHWBXSA-N 2 1 238.306 1.653 20 10 BDCDMP CC[N@@H+](Cc1ccccc1O)C[C@H](C)[NH3+] ZINC001236043918 979333209 /nfs/dbraw/zinc/33/32/09/979333209.db2.gz GFBLUFBMFLSWAK-JTQLQIEISA-N 2 1 208.305 1.561 20 10 BDCDMP CC[N@H+](Cc1ccccc1O)C[C@H](C)[NH3+] ZINC001236043918 979333222 /nfs/dbraw/zinc/33/32/22/979333222.db2.gz GFBLUFBMFLSWAK-JTQLQIEISA-N 2 1 208.305 1.561 20 10 BDCDMP Nc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC001345160330 980569620 /nfs/dbraw/zinc/56/96/20/980569620.db2.gz UKTLQGGYSIIOGI-UHFFFAOYSA-N 2 1 205.305 1.240 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC001356083523 983569880 /nfs/dbraw/zinc/56/98/80/983569880.db2.gz QYQLHGYPNSELIU-GFCCVEGCSA-N 2 1 219.332 1.440 20 10 BDCDMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)C[NH2+]1 ZINC001246466936 987825241 /nfs/dbraw/zinc/82/52/41/987825241.db2.gz QVDMIOZEXSRKDE-RISCZKNCSA-N 2 1 233.359 1.541 20 10 BDCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC000292865467 173166748 /nfs/dbraw/zinc/16/67/48/173166748.db2.gz VUMHBBWDSLANHH-HNNXBMFYSA-N 2 1 246.354 1.920 20 10 BDCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000292865467 173166750 /nfs/dbraw/zinc/16/67/50/173166750.db2.gz VUMHBBWDSLANHH-HNNXBMFYSA-N 2 1 246.354 1.920 20 10 BDCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000292865467 173166751 /nfs/dbraw/zinc/16/67/51/173166751.db2.gz VUMHBBWDSLANHH-HNNXBMFYSA-N 2 1 246.354 1.920 20 10 BDCDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000857226543 588896099 /nfs/dbraw/zinc/89/60/99/588896099.db2.gz QUCPGBJOYHLZPH-TZMCWYRMSA-N 2 1 232.327 1.705 20 10 BDCDMP [NH3+]C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000817960266 586851237 /nfs/dbraw/zinc/85/12/37/586851237.db2.gz LHBYWTJRECOYTK-RYUDHWBXSA-N 2 1 232.327 1.706 20 10 BDCDMP Oc1c(F)cccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032543 587936926 /nfs/dbraw/zinc/93/69/26/587936926.db2.gz GOAIQEOKYUERPJ-JTQLQIEISA-N 2 1 238.306 1.621 20 10 BDCDMP Cc1cc(O)c(C[NH2+]C[C@H]2CCC[NH2+]2)cc1C ZINC000841036046 587937521 /nfs/dbraw/zinc/93/75/21/587937521.db2.gz NPIAWVOWYOORFM-CYBMUJFWSA-N 2 1 234.343 1.851 20 10 BDCDMP C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841059395 587940800 /nfs/dbraw/zinc/94/08/00/587940800.db2.gz RMGNIIKWWRGANC-IUODEOHRSA-N 2 1 247.386 1.840 20 10 BDCDMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CC[NH2+]1 ZINC000841061165 587941716 /nfs/dbraw/zinc/94/17/16/587941716.db2.gz FRFTWNBXPGAIAV-KOLCDFICSA-N 2 1 238.306 1.761 20 10 BDCDMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000841088255 587945855 /nfs/dbraw/zinc/94/58/55/587945855.db2.gz UHMMPZIRZCSWMY-CYBMUJFWSA-N 2 1 234.343 1.999 20 10 BDCDMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841087255 587946062 /nfs/dbraw/zinc/94/60/62/587946062.db2.gz SJGHCBFQEVFPGO-GFCCVEGCSA-N 2 1 234.343 1.931 20 10 BDCDMP CN(C)c1ccc(C[N@@H+](C)CCC[NH3+])cc1F ZINC000843051096 588077217 /nfs/dbraw/zinc/07/72/17/588077217.db2.gz UURQPDMXRLQYSP-UHFFFAOYSA-N 2 1 239.338 1.672 20 10 BDCDMP CCC[N@@H+](Cc1ccccc1O)C[C@H](C)[NH3+] ZINC000843358439 588103788 /nfs/dbraw/zinc/10/37/88/588103788.db2.gz QHVPDIINLWLDOE-NSHDSACASA-N 2 1 222.332 1.951 20 10 BDCDMP CCC[N@H+](Cc1ccccc1O)C[C@H](C)[NH3+] ZINC000843358439 588103790 /nfs/dbraw/zinc/10/37/90/588103790.db2.gz QHVPDIINLWLDOE-NSHDSACASA-N 2 1 222.332 1.951 20 10 BDCDMP C[C@@H]([NH3+])CN(C)Cc1cccc(Cl)c1O ZINC000863651323 589307045 /nfs/dbraw/zinc/30/70/45/589307045.db2.gz GMVTWGXHUMMTLW-MRVPVSSYSA-N 2 1 228.723 1.825 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000126870698 590477620 /nfs/dbraw/zinc/47/76/20/590477620.db2.gz RIACFKIKJZPWHG-NEPJUHHUSA-N 2 1 234.343 1.870 20 10 BDCDMP C[N@@H+](Cc1ccccc1O)C1CC[NH2+]CC1 ZINC000215950490 591999015 /nfs/dbraw/zinc/99/90/15/591999015.db2.gz JZNMQWSVEYANAO-UHFFFAOYSA-N 2 1 220.316 1.576 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1[NH3+] ZINC000300417483 592511998 /nfs/dbraw/zinc/51/19/98/592511998.db2.gz VKQVLPSAKUBEOS-BXKDBHETSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1O ZINC000220338285 635304698 /nfs/dbraw/zinc/30/46/98/635304698.db2.gz XHYBWYSVKBHVCD-VHSXEESVSA-N 2 1 238.306 1.700 20 10 BDCDMP Oc1ccccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841090996 639236252 /nfs/dbraw/zinc/23/62/52/639236252.db2.gz RWOFHGRZOGMHLO-GFCCVEGCSA-N 2 1 220.316 1.624 20 10 BDCDMP Oc1ccc(F)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000226580325 640775446 /nfs/dbraw/zinc/77/54/46/640775446.db2.gz ACRVEIXFSMZIJB-GHMZBOCLSA-N 2 1 236.290 1.183 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228065290 640859053 /nfs/dbraw/zinc/85/90/53/640859053.db2.gz XTAJWQDQEKRHGU-VXGBXAGGSA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000220341268 645890084 /nfs/dbraw/zinc/89/00/84/645890084.db2.gz VTFCCNWUMBNNPC-UWVGGRQHSA-N 2 1 238.306 1.700 20 10 BDCDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000723670796 710731119 /nfs/dbraw/zinc/73/11/19/710731119.db2.gz PBNLBSPZXOHZMW-JTQLQIEISA-N 2 1 238.306 1.702 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997654 966222094 /nfs/dbraw/zinc/22/20/94/966222094.db2.gz WNXFZBNAQDGVKN-TZMCWYRMSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997654 966222110 /nfs/dbraw/zinc/22/21/10/966222110.db2.gz WNXFZBNAQDGVKN-TZMCWYRMSA-N 2 1 232.327 1.624 20 10 BDCDMP C[N@H+](Cc1ccc(N)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219840 966314592 /nfs/dbraw/zinc/31/45/92/966314592.db2.gz XQDPQULKPXFGKF-UONOGXRCSA-N 2 1 233.359 1.971 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219840 966314605 /nfs/dbraw/zinc/31/46/05/966314605.db2.gz XQDPQULKPXFGKF-UONOGXRCSA-N 2 1 233.359 1.971 20 10 BDCDMP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197636 967423162 /nfs/dbraw/zinc/42/31/62/967423162.db2.gz WZUSNPQJJAWJKA-ZWNOBZJWSA-N 2 1 234.343 1.876 20 10 BDCDMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197636 967423167 /nfs/dbraw/zinc/42/31/67/967423167.db2.gz WZUSNPQJJAWJKA-ZWNOBZJWSA-N 2 1 234.343 1.876 20 10 BDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC001205317940 967532309 /nfs/dbraw/zinc/53/23/09/967532309.db2.gz QXLSHAPMSMURMJ-AAEUAGOBSA-N 2 1 233.359 1.686 20 10 BDCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N)cc1 ZINC001205917518 967882410 /nfs/dbraw/zinc/88/24/10/967882410.db2.gz ZPSVWAHVZXVTRF-WCQYABFASA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001206276497 968189386 /nfs/dbraw/zinc/18/93/86/968189386.db2.gz FITYPILWBLRVSL-LLVKDONJSA-N 2 1 219.332 1.310 20 10 BDCDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001206276497 968189392 /nfs/dbraw/zinc/18/93/92/968189392.db2.gz FITYPILWBLRVSL-LLVKDONJSA-N 2 1 219.332 1.310 20 10 BDCDMP Cc1c(O)ccc(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206722874 968441339 /nfs/dbraw/zinc/44/13/39/968441339.db2.gz HRPRTPFMZJFTCK-UHFFFAOYSA-N 2 1 236.315 1.187 20 10 BDCDMP CCc1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206738285 968451696 /nfs/dbraw/zinc/45/16/96/968451696.db2.gz ZAKYCSXEEKBGBM-UHFFFAOYSA-N 2 1 234.343 1.735 20 10 BDCDMP CC[N@@H+](CCCC[NH3+])Cc1ccccc1O ZINC001236044543 979338141 /nfs/dbraw/zinc/33/81/41/979338141.db2.gz NLCAVTYEBFWHRR-UHFFFAOYSA-N 2 1 222.332 1.953 20 10 BDCDMP CC[N@@H+](Cc1ccccc1O)C[C@@H](C)[NH3+] ZINC001236043922 979338940 /nfs/dbraw/zinc/33/89/40/979338940.db2.gz GFBLUFBMFLSWAK-SNVBAGLBSA-N 2 1 208.305 1.561 20 10 BDCDMP CC[N@H+](Cc1ccccc1O)C[C@@H](C)[NH3+] ZINC001236043922 979338948 /nfs/dbraw/zinc/33/89/48/979338948.db2.gz GFBLUFBMFLSWAK-SNVBAGLBSA-N 2 1 208.305 1.561 20 10 BDCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)[NH3+] ZINC001236280185 979480138 /nfs/dbraw/zinc/48/01/38/979480138.db2.gz UQAVCRXKFOOPOL-LBPRGKRZSA-N 2 1 235.375 1.922 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001356082911 983572570 /nfs/dbraw/zinc/57/25/70/983572570.db2.gz HMAWKOXSCSYRIL-SMDDNHRTSA-N 2 1 233.359 1.971 20 10 BDCDMP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)c(F)cc1O ZINC001575962376 984144523 /nfs/dbraw/zinc/14/45/23/984144523.db2.gz QQPLOQBCXJLKPY-SSDOTTSWSA-N 2 1 230.258 1.497 20 10 BDCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC000292865473 188224567 /nfs/dbraw/zinc/22/45/67/188224567.db2.gz VUMHBBWDSLANHH-OAHLLOKOSA-N 2 1 246.354 1.920 20 10 BDCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000292865473 188224568 /nfs/dbraw/zinc/22/45/68/188224568.db2.gz VUMHBBWDSLANHH-OAHLLOKOSA-N 2 1 246.354 1.920 20 10 BDCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000292865473 188224569 /nfs/dbraw/zinc/22/45/69/188224569.db2.gz VUMHBBWDSLANHH-OAHLLOKOSA-N 2 1 246.354 1.920 20 10 BDCDMP CC[N@@H+](CCC[NH3+])Cc1ccc(N(C)C)cc1 ZINC000841005498 584004175 /nfs/dbraw/zinc/00/41/75/584004175.db2.gz AADVGYWESOSUPT-UHFFFAOYSA-N 2 1 235.375 1.923 20 10 BDCDMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000904350060 584869203 /nfs/dbraw/zinc/86/92/03/584869203.db2.gz GQTPYJRVSCLQBF-CQSZACIVSA-N 2 1 246.354 1.839 20 10 BDCDMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000904355225 584870711 /nfs/dbraw/zinc/87/07/11/584870711.db2.gz LSFMBXZMMAFVHD-UHFFFAOYSA-N 2 1 246.354 1.983 20 10 BDCDMP Cc1ccc([C@H](C)[NH2+]CC[NH3+])c(O)c1C ZINC000817935488 586843076 /nfs/dbraw/zinc/84/30/76/586843076.db2.gz WVBUEESJLPXQCA-JTQLQIEISA-N 2 1 208.305 1.618 20 10 BDCDMP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000817966265 586854897 /nfs/dbraw/zinc/85/48/97/586854897.db2.gz JXHWLARLVXZPLP-RKDXNWHRSA-N 2 1 224.304 1.399 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000841024113 587935341 /nfs/dbraw/zinc/93/53/41/587935341.db2.gz IKDDESNDCWEDCM-JQWIXIFHSA-N 2 1 220.316 1.622 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000841024113 587935343 /nfs/dbraw/zinc/93/53/43/587935343.db2.gz IKDDESNDCWEDCM-JQWIXIFHSA-N 2 1 220.316 1.622 20 10 BDCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000841024992 587935439 /nfs/dbraw/zinc/93/54/39/587935439.db2.gz WPJUTJUEXYRNES-AAEUAGOBSA-N 2 1 234.343 1.931 20 10 BDCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000841024992 587935441 /nfs/dbraw/zinc/93/54/41/587935441.db2.gz WPJUTJUEXYRNES-AAEUAGOBSA-N 2 1 234.343 1.931 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000841028251 587935964 /nfs/dbraw/zinc/93/59/64/587935964.db2.gz NSBRQYUTODJVOT-HNNXBMFYSA-N 2 1 247.386 1.888 20 10 BDCDMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1C ZINC000841049741 587939644 /nfs/dbraw/zinc/93/96/44/587939644.db2.gz NKPDJAYAELMHQV-ZDUSSCGKSA-N 2 1 234.343 1.831 20 10 BDCDMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000841050499 587939972 /nfs/dbraw/zinc/93/99/72/587939972.db2.gz GVGYRKGWUQCHSK-UHFFFAOYSA-N 2 1 232.327 1.593 20 10 BDCDMP CCOc1ccc(O)c(C[NH2+][C@H](C)CN)c1 ZINC000841059430 587940433 /nfs/dbraw/zinc/94/04/33/587940433.db2.gz CZHQUNZUBSRMPH-SECBINFHSA-N 2 1 224.304 1.228 20 10 BDCDMP CCOc1ccc(O)c(C[NH2+][C@H](C)C[NH3+])c1 ZINC000841059430 587940435 /nfs/dbraw/zinc/94/04/35/587940435.db2.gz CZHQUNZUBSRMPH-SECBINFHSA-N 2 1 224.304 1.228 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048427 588075788 /nfs/dbraw/zinc/07/57/88/588075788.db2.gz SZCAGGJMVUEUPG-ZDUSSCGKSA-N 2 1 247.386 1.842 20 10 BDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048500 588076166 /nfs/dbraw/zinc/07/61/66/588076166.db2.gz CNJYAOGHLAIKCU-JTQLQIEISA-N 2 1 236.315 1.181 20 10 BDCDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843058756 588077624 /nfs/dbraw/zinc/07/76/24/588077624.db2.gz XNTFKSGCMNVVJB-VHSXEESVSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843058756 588077626 /nfs/dbraw/zinc/07/76/26/588077626.db2.gz XNTFKSGCMNVVJB-VHSXEESVSA-N 2 1 238.306 1.700 20 10 BDCDMP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000843055207 588077644 /nfs/dbraw/zinc/07/76/44/588077644.db2.gz GTINOONIZKBDSM-ZDUSSCGKSA-N 2 1 234.343 1.884 20 10 BDCDMP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000843055207 588077646 /nfs/dbraw/zinc/07/76/46/588077646.db2.gz GTINOONIZKBDSM-ZDUSSCGKSA-N 2 1 234.343 1.884 20 10 BDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1O ZINC000843058048 588077905 /nfs/dbraw/zinc/07/79/05/588077905.db2.gz NZRRFYRTVYDVOW-ZJUUUORDSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1O ZINC000843058048 588077906 /nfs/dbraw/zinc/07/79/06/588077906.db2.gz NZRRFYRTVYDVOW-ZJUUUORDSA-N 2 1 238.306 1.700 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1cccc(OC)c1O ZINC000124776841 590084493 /nfs/dbraw/zinc/08/44/93/590084493.db2.gz KMTVFBWKKBGQBQ-UHFFFAOYSA-N 2 1 238.331 1.442 20 10 BDCDMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(O)c1 ZINC000876817505 590245940 /nfs/dbraw/zinc/24/59/40/590245940.db2.gz IWENZNGTNGQQTM-BETUJISGSA-N 2 1 232.327 1.352 20 10 BDCDMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC000877482853 590338039 /nfs/dbraw/zinc/33/80/39/590338039.db2.gz IRXKIQGSYRGHAK-OKILXGFUSA-N 2 1 246.354 1.694 20 10 BDCDMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC000877482853 590338041 /nfs/dbraw/zinc/33/80/41/590338041.db2.gz IRXKIQGSYRGHAK-OKILXGFUSA-N 2 1 246.354 1.694 20 10 BDCDMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC000877482853 590338043 /nfs/dbraw/zinc/33/80/43/590338043.db2.gz IRXKIQGSYRGHAK-OKILXGFUSA-N 2 1 246.354 1.694 20 10 BDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3O)CC[C@H]21 ZINC000877742725 590407965 /nfs/dbraw/zinc/40/79/65/590407965.db2.gz GCUHFCBXDZEHPR-TZMCWYRMSA-N 2 1 246.354 1.918 20 10 BDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21 ZINC000877742725 590407967 /nfs/dbraw/zinc/40/79/67/590407967.db2.gz GCUHFCBXDZEHPR-TZMCWYRMSA-N 2 1 246.354 1.918 20 10 BDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC000877742725 590407969 /nfs/dbraw/zinc/40/79/69/590407969.db2.gz GCUHFCBXDZEHPR-TZMCWYRMSA-N 2 1 246.354 1.918 20 10 BDCDMP CCC[N@@H+](CCC[NH3+])Cc1ccccc1O ZINC000221636520 592433899 /nfs/dbraw/zinc/43/38/99/592433899.db2.gz NXKFDPJTYBOYND-UHFFFAOYSA-N 2 1 222.332 1.953 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1[NH3+] ZINC000300417485 592511822 /nfs/dbraw/zinc/51/18/22/592511822.db2.gz VKQVLPSAKUBEOS-JOYOIKCWSA-N 2 1 238.306 1.700 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000309170835 632658800 /nfs/dbraw/zinc/65/88/00/632658800.db2.gz AJKIDMNFTRWXLI-JQWIXIFHSA-N 2 1 220.316 1.622 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000309170835 632658805 /nfs/dbraw/zinc/65/88/05/632658805.db2.gz AJKIDMNFTRWXLI-JQWIXIFHSA-N 2 1 220.316 1.622 20 10 BDCDMP CC[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000251901745 636764569 /nfs/dbraw/zinc/76/45/69/636764569.db2.gz WXJLLGPQUSDMTL-DGCLKSJQSA-N 2 1 234.343 1.951 20 10 BDCDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000050245319 643661571 /nfs/dbraw/zinc/66/15/71/643661571.db2.gz KCNDKUWEZBKHIO-SNVBAGLBSA-N 2 1 206.289 1.173 20 10 BDCDMP Cc1cccc(C[N@H+](C)[C@@H](C)CN)c1O ZINC000381714513 710682984 /nfs/dbraw/zinc/68/29/84/710682984.db2.gz KVGCRVPACSWWBR-JTQLQIEISA-N 2 1 208.305 1.480 20 10 BDCDMP CN(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038086923 712806684 /nfs/dbraw/zinc/80/66/84/712806684.db2.gz VTOYOIAORUPNRT-UHFFFAOYSA-N 2 1 233.359 1.548 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038086923 712806686 /nfs/dbraw/zinc/80/66/86/712806686.db2.gz VTOYOIAORUPNRT-UHFFFAOYSA-N 2 1 233.359 1.548 20 10 BDCDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N)cc1 ZINC001336284796 977615352 /nfs/dbraw/zinc/61/53/52/977615352.db2.gz DEXRZBJVZYSAIU-GFCCVEGCSA-N 2 1 207.321 1.342 20 10 BDCDMP CC1(C[NH3+])C[NH+](Cc2ccc(N)cc2)C1 ZINC001206729764 968445154 /nfs/dbraw/zinc/44/51/54/968445154.db2.gz JZSYLWJKLLYODM-UHFFFAOYSA-N 2 1 205.305 1.049 20 10 BDCDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001334754244 976623079 /nfs/dbraw/zinc/62/30/79/976623079.db2.gz MSOWUDXMPLRXJC-ZDUSSCGKSA-N 2 1 221.348 1.732 20 10 BDCDMP C[N@H+](Cc1ccc(N)cc1)C1(C[NH3+])CCC1 ZINC001120268187 989621220 /nfs/dbraw/zinc/62/12/20/989621220.db2.gz BKTKTHQJQZKLJN-UHFFFAOYSA-N 2 1 219.332 1.582 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)C1(C[NH3+])CCC1 ZINC001120268187 989621228 /nfs/dbraw/zinc/62/12/28/989621228.db2.gz BKTKTHQJQZKLJN-UHFFFAOYSA-N 2 1 219.332 1.582 20 10 BDCDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N)cc1 ZINC001120268398 989622341 /nfs/dbraw/zinc/62/23/41/989622341.db2.gz DHIPQJVDIYXVOU-MFKMUULPSA-N 2 1 219.332 1.580 20 10 BDCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000179574646 385474388 /nfs/dbraw/zinc/47/43/88/385474388.db2.gz RCKDLEDGWWOTDM-LBPRGKRZSA-N 2 1 234.343 1.776 20 10 BDCDMP Cc1ccc([C@@H](C)[NH2+]CC[NH3+])c(O)c1C ZINC000817935490 586841957 /nfs/dbraw/zinc/84/19/57/586841957.db2.gz WVBUEESJLPXQCA-SNVBAGLBSA-N 2 1 208.305 1.618 20 10 BDCDMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1O ZINC000817964711 586854198 /nfs/dbraw/zinc/85/41/98/586854198.db2.gz FNZMDIPFLNRYLO-QMMMGPOBSA-N 2 1 224.279 1.401 20 10 BDCDMP Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1C ZINC000841036047 587937805 /nfs/dbraw/zinc/93/78/05/587937805.db2.gz NPIAWVOWYOORFM-ZDUSSCGKSA-N 2 1 234.343 1.851 20 10 BDCDMP Cc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1O ZINC000841036102 587937825 /nfs/dbraw/zinc/93/78/25/587937825.db2.gz NZGAVCHMKUVJAW-GFCCVEGCSA-N 2 1 220.316 1.542 20 10 BDCDMP CN(C)c1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000841050507 587939770 /nfs/dbraw/zinc/93/97/70/587939770.db2.gz HIBCDXFBENLUEC-UHFFFAOYSA-N 2 1 233.359 1.724 20 10 BDCDMP COc1cccc(O)c1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000841051185 587940142 /nfs/dbraw/zinc/94/01/42/587940142.db2.gz VBDIBZMMQBKUPM-NSHDSACASA-N 2 1 236.315 1.228 20 10 BDCDMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841078629 587945160 /nfs/dbraw/zinc/94/51/60/587945160.db2.gz GMWHQKDSQOZCLY-ZJUUUORDSA-N 2 1 220.316 1.447 20 10 BDCDMP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000841084534 587945527 /nfs/dbraw/zinc/94/55/27/587945527.db2.gz KHGCNHVDCVFCOF-ONGXEEELSA-N 2 1 238.306 1.748 20 10 BDCDMP [NH3+]CC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843047072 588075904 /nfs/dbraw/zinc/07/59/04/588075904.db2.gz FLNJJBHDSBWLKR-UHFFFAOYSA-N 2 1 238.306 1.702 20 10 BDCDMP CCOc1ccc(O)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000843051275 588077151 /nfs/dbraw/zinc/07/71/51/588077151.db2.gz VXNIUAPKZBKXJI-UHFFFAOYSA-N 2 1 238.331 1.572 20 10 BDCDMP C[N@H+](CC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863556114 589298750 /nfs/dbraw/zinc/29/87/50/589298750.db2.gz MHGBALNPDLHFLQ-UHFFFAOYSA-N 2 1 219.332 1.705 20 10 BDCDMP C[N@@H+](CC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863556114 589298751 /nfs/dbraw/zinc/29/87/51/589298751.db2.gz MHGBALNPDLHFLQ-UHFFFAOYSA-N 2 1 219.332 1.705 20 10 BDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219964081 592268738 /nfs/dbraw/zinc/26/87/38/592268738.db2.gz VKKMXWZKILFJTH-JTQLQIEISA-N 2 1 238.306 1.573 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000309170837 631923965 /nfs/dbraw/zinc/92/39/65/631923965.db2.gz AJKIDMNFTRWXLI-ZYHUDNBSSA-N 2 1 220.316 1.622 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000309170837 631923968 /nfs/dbraw/zinc/92/39/68/631923968.db2.gz AJKIDMNFTRWXLI-ZYHUDNBSSA-N 2 1 220.316 1.622 20 10 BDCDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000310379971 635784537 /nfs/dbraw/zinc/78/45/37/635784537.db2.gz PIBZKIIYWGNPCA-ZDUSSCGKSA-N 2 1 238.306 1.702 20 10 BDCDMP [NH3+]C1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000158753237 632485678 /nfs/dbraw/zinc/48/56/78/632485678.db2.gz VAVVQLRUMSOWQQ-UHFFFAOYSA-N 2 1 238.306 1.891 20 10 BDCDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2O)C1 ZINC000309411904 633031145 /nfs/dbraw/zinc/03/11/45/633031145.db2.gz IZKPWVZLCZBCAW-ZDUSSCGKSA-N 2 1 220.316 1.563 20 10 BDCDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC000230125965 641032325 /nfs/dbraw/zinc/03/23/25/641032325.db2.gz QWWVLFDTKNSXHH-FPMFFAJLSA-N 2 1 246.354 1.951 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000070171413 642985254 /nfs/dbraw/zinc/98/52/54/642985254.db2.gz GAFVFCMGSBPYQS-RYUDHWBXSA-N 2 1 234.343 1.951 20 10 BDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000070798652 643070045 /nfs/dbraw/zinc/07/00/45/643070045.db2.gz KONNOAONTYZBHQ-LLVKDONJSA-N 2 1 220.316 1.434 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000070955785 643087443 /nfs/dbraw/zinc/08/74/43/643087443.db2.gz JSGGXZZHSJSTBG-LLVKDONJSA-N 2 1 220.316 1.481 20 10 BDCDMP C[NH+](C)CCC[N@H+](C)Cc1cc(F)ccc1O ZINC000234231703 643614804 /nfs/dbraw/zinc/61/48/04/643614804.db2.gz REKTZSBLRXGDSL-UHFFFAOYSA-N 2 1 240.322 1.915 20 10 BDCDMP C[NH+](C)CCC[N@@H+](C)Cc1cc(F)ccc1O ZINC000234231703 643614805 /nfs/dbraw/zinc/61/48/05/643614805.db2.gz REKTZSBLRXGDSL-UHFFFAOYSA-N 2 1 240.322 1.915 20 10 BDCDMP CC1([NH3+])CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000707673767 712176000 /nfs/dbraw/zinc/17/60/00/712176000.db2.gz NJVRIUUNCXLFLX-UHFFFAOYSA-N 2 1 238.306 1.845 20 10 BDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1O ZINC001205064154 967321473 /nfs/dbraw/zinc/32/14/73/967321473.db2.gz KDHBXARWDFCFOU-JQWIXIFHSA-N 2 1 220.316 1.704 20 10 BDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1O ZINC001205064154 967321487 /nfs/dbraw/zinc/32/14/87/967321487.db2.gz KDHBXARWDFCFOU-JQWIXIFHSA-N 2 1 220.316 1.704 20 10 BDCDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N)cc2)C1 ZINC001205840971 967848499 /nfs/dbraw/zinc/84/84/99/967848499.db2.gz JDYQNCPXRUVPNP-SMDDNHRTSA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N)cc2)C1 ZINC001205840971 967848501 /nfs/dbraw/zinc/84/85/01/967848501.db2.gz JDYQNCPXRUVPNP-SMDDNHRTSA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206722612 968441689 /nfs/dbraw/zinc/44/16/89/968441689.db2.gz DPQQGQBXTHEWJQ-UHFFFAOYSA-N 2 1 220.316 1.481 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235991338 979281083 /nfs/dbraw/zinc/28/10/83/979281083.db2.gz LLSZNTFLXKXEBW-IUODEOHRSA-N 2 1 246.354 1.932 20 10 BDCDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001345159313 980570416 /nfs/dbraw/zinc/57/04/16/980570416.db2.gz GBTAMRWOIUBNRV-CYBMUJFWSA-N 2 1 219.332 1.440 20 10 BDCDMP C[C@H]1C[C@@H]([N@H+]2CCc3cccc(O)c3C2)CC[NH2+]1 ZINC001246870593 988628082 /nfs/dbraw/zinc/62/80/82/988628082.db2.gz VXTAIAIMPCCBJC-AAEUAGOBSA-N 2 1 246.354 1.891 20 10 BDCDMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000904350059 584869154 /nfs/dbraw/zinc/86/91/54/584869154.db2.gz GQTPYJRVSCLQBF-AWEZNQCLSA-N 2 1 246.354 1.839 20 10 BDCDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957622 584992442 /nfs/dbraw/zinc/99/24/42/584992442.db2.gz NGHUBLSRBYLLIF-SMDDNHRTSA-N 2 1 233.359 1.399 20 10 BDCDMP Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000843047854 585331336 /nfs/dbraw/zinc/33/13/36/585331336.db2.gz YXDQSABYJFGVLZ-GFCCVEGCSA-N 2 1 234.343 1.871 20 10 BDCDMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000817960264 586851205 /nfs/dbraw/zinc/85/12/05/586851205.db2.gz LHBYWTJRECOYTK-NEPJUHHUSA-N 2 1 232.327 1.706 20 10 BDCDMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817972184 586858800 /nfs/dbraw/zinc/85/88/00/586858800.db2.gz UWPPINVTCIYUCL-MNOVXSKESA-N 2 1 221.348 1.750 20 10 BDCDMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)ccc1O ZINC000817977311 586861236 /nfs/dbraw/zinc/86/12/36/586861236.db2.gz HGJYDTGDOHKKSU-XDRUHAPNSA-N 2 1 236.290 1.400 20 10 BDCDMP Oc1c(F)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841035870 587937861 /nfs/dbraw/zinc/93/78/61/587937861.db2.gz JFJBYPVVICXECZ-SNVBAGLBSA-N 2 1 238.306 1.621 20 10 BDCDMP Oc1c(F)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841035868 587937887 /nfs/dbraw/zinc/93/78/87/587937887.db2.gz JFJBYPVVICXECZ-JTQLQIEISA-N 2 1 238.306 1.621 20 10 BDCDMP [NH3+]C[C@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000841088256 587945751 /nfs/dbraw/zinc/94/57/51/587945751.db2.gz UHMMPZIRZCSWMY-ZDUSSCGKSA-N 2 1 234.343 1.999 20 10 BDCDMP Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000843120581 588083680 /nfs/dbraw/zinc/08/36/80/588083680.db2.gz QKMWNEXUVRYABP-DGCLKSJQSA-N 2 1 234.343 1.788 20 10 BDCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000843120581 588083682 /nfs/dbraw/zinc/08/36/82/588083682.db2.gz QKMWNEXUVRYABP-DGCLKSJQSA-N 2 1 234.343 1.788 20 10 BDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000126809202 590458691 /nfs/dbraw/zinc/45/86/91/590458691.db2.gz IZIWIZHNIOPASS-TZMCWYRMSA-N 2 1 247.386 1.922 20 10 BDCDMP CCOc1cccc(C[N@@H+](C)CCC[NH3+])c1O ZINC000133735513 591851136 /nfs/dbraw/zinc/85/11/36/591851136.db2.gz SNUCLYBVQPMNLK-UHFFFAOYSA-N 2 1 238.331 1.572 20 10 BDCDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000226580330 640776488 /nfs/dbraw/zinc/77/64/88/640776488.db2.gz ACRVEIXFSMZIJB-QWRGUYRKSA-N 2 1 236.290 1.183 20 10 BDCDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC000228534727 640878822 /nfs/dbraw/zinc/87/88/22/640878822.db2.gz QWWVLFDTKNSXHH-IACUBPJLSA-N 2 1 246.354 1.951 20 10 BDCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CC[N@@H+]1C ZINC000090721237 711503203 /nfs/dbraw/zinc/50/32/03/711503203.db2.gz ULPUYZMYDUJNPC-DGCLKSJQSA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CC[N@H+]1C ZINC000090721237 711503206 /nfs/dbraw/zinc/50/32/06/711503206.db2.gz ULPUYZMYDUJNPC-DGCLKSJQSA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000168514947 711684564 /nfs/dbraw/zinc/68/45/64/711684564.db2.gz KXMIPCKVRURRCB-GHMZBOCLSA-N 2 1 220.316 1.561 20 10 BDCDMP Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709789117 712226950 /nfs/dbraw/zinc/22/69/50/712226950.db2.gz HJTKSXDJNFRZJZ-HNNXBMFYSA-N 2 1 246.354 1.968 20 10 BDCDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141160946 960896893 /nfs/dbraw/zinc/89/68/93/960896893.db2.gz KJLVISAZULOPIO-TXEJJXNPSA-N 2 1 248.326 1.091 20 10 BDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141160946 960896899 /nfs/dbraw/zinc/89/68/99/960896899.db2.gz KJLVISAZULOPIO-TXEJJXNPSA-N 2 1 248.326 1.091 20 10 BDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141160946 960896906 /nfs/dbraw/zinc/89/69/06/960896906.db2.gz KJLVISAZULOPIO-TXEJJXNPSA-N 2 1 248.326 1.091 20 10 BDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141160946 960896908 /nfs/dbraw/zinc/89/69/08/960896908.db2.gz KJLVISAZULOPIO-TXEJJXNPSA-N 2 1 248.326 1.091 20 10 BDCDMP Oc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380668 966654623 /nfs/dbraw/zinc/65/46/23/966654623.db2.gz GQKWOQCNIISYIV-OCCSQVGLSA-N 2 1 246.354 1.966 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@H]1C[NH3+] ZINC001334754223 976624255 /nfs/dbraw/zinc/62/42/55/976624255.db2.gz MJRGRGSUSSCFKR-AAEUAGOBSA-N 2 1 233.359 1.686 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992900 979281855 /nfs/dbraw/zinc/28/18/55/979281855.db2.gz SESDVYCUEGARAY-IUODEOHRSA-N 2 1 246.354 1.932 20 10 BDCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)[C@@H]1C[NH3+] ZINC001120263964 989622391 /nfs/dbraw/zinc/62/23/91/989622391.db2.gz YGYDIFMYWQDIHU-BXUZGUMPSA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@@H]1C[NH3+] ZINC001120263964 989622395 /nfs/dbraw/zinc/62/23/95/989622395.db2.gz YGYDIFMYWQDIHU-BXUZGUMPSA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1cc(C[NH+]2CC(C)(C[NH3+])C2)ccc1N(C)C ZINC001206724010 990948703 /nfs/dbraw/zinc/94/87/03/990948703.db2.gz ZBZJNRXJYJQJHZ-UHFFFAOYSA-N 2 1 247.386 1.842 20 10 BDCDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1O ZINC000134231894 398242313 /nfs/dbraw/zinc/24/23/13/398242313.db2.gz XTQKAOBCFUWZHQ-UHFFFAOYSA-N 2 1 231.299 1.687 20 10 BDCDMP Oc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176747 324508039 /nfs/dbraw/zinc/50/80/39/324508039.db2.gz LKBCUMBYYHKLLI-ZDUSSCGKSA-N 2 1 232.327 1.766 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355319 584871003 /nfs/dbraw/zinc/87/10/03/584871003.db2.gz PWMMLADVCAATTH-ZDUSSCGKSA-N 2 1 234.343 1.839 20 10 BDCDMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817966089 584992848 /nfs/dbraw/zinc/99/28/48/584992848.db2.gz GFAGOWMBBNIUMJ-SCZZXKLOSA-N 2 1 206.289 1.316 20 10 BDCDMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1O ZINC000817970115 584993412 /nfs/dbraw/zinc/99/34/12/584993412.db2.gz LUGZHJJYHNTOLY-GXSJLCMTSA-N 2 1 208.305 1.780 20 10 BDCDMP CC[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1O ZINC000817938646 586844486 /nfs/dbraw/zinc/84/44/86/586844486.db2.gz OVKAEABSQZLWNG-NSHDSACASA-N 2 1 226.295 1.921 20 10 BDCDMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817962952 586852602 /nfs/dbraw/zinc/85/26/02/586852602.db2.gz PSQFSFXASMLSHY-DTWKUNHWSA-N 2 1 226.295 1.777 20 10 BDCDMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccccc1O ZINC000817966343 586854802 /nfs/dbraw/zinc/85/48/02/586854802.db2.gz LUGZHJJYHNTOLY-MWLCHTKSSA-N 2 1 208.305 1.780 20 10 BDCDMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817966841 586855109 /nfs/dbraw/zinc/85/51/09/586855109.db2.gz WXTMJRLROFBMPS-GHMZBOCLSA-N 2 1 221.348 1.750 20 10 BDCDMP COc1cccc(O)c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000841028902 587935948 /nfs/dbraw/zinc/93/59/48/587935948.db2.gz KQWJTUHUWBQFQU-LLVKDONJSA-N 2 1 238.331 1.474 20 10 BDCDMP CC(C)(C)[NH2+]CC[NH2+]CCc1ccc(N)cc1 ZINC000841037947 587937892 /nfs/dbraw/zinc/93/78/92/587937892.db2.gz DLHCREWJAPVBJV-UHFFFAOYSA-N 2 1 235.375 1.789 20 10 BDCDMP CCOc1cccc(C[NH2+][C@H](C)CN)c1O ZINC000841059664 587940822 /nfs/dbraw/zinc/94/08/22/587940822.db2.gz JYCGMTQGPCZUOA-SECBINFHSA-N 2 1 224.304 1.228 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+]Cc1c(O)cccc1OC ZINC000841069646 587942531 /nfs/dbraw/zinc/94/25/31/587942531.db2.gz CBXCTDQPXGGQRP-VIFPVBQESA-N 2 1 224.304 1.228 20 10 BDCDMP Oc1ccc(Cl)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078471 587945023 /nfs/dbraw/zinc/94/50/23/587945023.db2.gz RPONUOHFOGOCOX-IAZYJMLFSA-N 2 1 238.718 1.353 20 10 BDCDMP Nc1ccc([NH2+]CC2CC[NH2+]CC2)cc1 ZINC000843125740 588084234 /nfs/dbraw/zinc/08/42/34/588084234.db2.gz GWBSMPIZZLHBCF-UHFFFAOYSA-N 2 1 205.305 1.680 20 10 BDCDMP Cc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1O ZINC000849350558 588474684 /nfs/dbraw/zinc/47/46/84/588474684.db2.gz QHLPKSKPWPHZBF-UHFFFAOYSA-N 2 1 222.332 1.870 20 10 BDCDMP Cc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1O ZINC000849350558 588474686 /nfs/dbraw/zinc/47/46/86/588474686.db2.gz QHLPKSKPWPHZBF-UHFFFAOYSA-N 2 1 222.332 1.870 20 10 BDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3O)CC[C@@H]21 ZINC000877742724 590409847 /nfs/dbraw/zinc/40/98/47/590409847.db2.gz GCUHFCBXDZEHPR-OCCSQVGLSA-N 2 1 246.354 1.918 20 10 BDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000877742724 590409849 /nfs/dbraw/zinc/40/98/49/590409849.db2.gz GCUHFCBXDZEHPR-OCCSQVGLSA-N 2 1 246.354 1.918 20 10 BDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000877742724 590409851 /nfs/dbraw/zinc/40/98/51/590409851.db2.gz GCUHFCBXDZEHPR-OCCSQVGLSA-N 2 1 246.354 1.918 20 10 BDCDMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000259000459 635233833 /nfs/dbraw/zinc/23/38/33/635233833.db2.gz FEJUYUOBJSXXFM-UHFFFAOYSA-N 2 1 218.300 1.202 20 10 BDCDMP Nc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925695810 634352795 /nfs/dbraw/zinc/35/27/95/634352795.db2.gz XXOIAWJFCDCKCM-CQSZACIVSA-N 2 1 245.370 1.686 20 10 BDCDMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000258995180 635230145 /nfs/dbraw/zinc/23/01/45/635230145.db2.gz DSSSOEVJNUNEER-UHFFFAOYSA-N 2 1 232.327 1.593 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338775 635298215 /nfs/dbraw/zinc/29/82/15/635298215.db2.gz OAVBSIDBEVAXJY-YPMHNXCESA-N 2 1 234.343 1.870 20 10 BDCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000044535356 640402709 /nfs/dbraw/zinc/40/27/09/640402709.db2.gz BTCPKWITVRYGRB-GFCCVEGCSA-N 2 1 234.343 1.824 20 10 BDCDMP C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1O ZINC000062747663 641092076 /nfs/dbraw/zinc/09/20/76/641092076.db2.gz MPEBKBGQVSRMDZ-MRVPVSSYSA-N 2 1 212.268 1.531 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000071409465 643143287 /nfs/dbraw/zinc/14/32/87/643143287.db2.gz FUISIVHWNWOGCB-LBPRGKRZSA-N 2 1 234.343 1.871 20 10 BDCDMP C[N@@H+](Cc1ccccc1O)C[C@]1(C)CC[NH2+]C1 ZINC000843060902 645258431 /nfs/dbraw/zinc/25/84/31/645258431.db2.gz RCGTVSAFOMJGEX-CQSZACIVSA-N 2 1 234.343 1.824 20 10 BDCDMP CC1(C[NH3+])C[NH+](Cc2ccccc2O)C1 ZINC001206711530 966198124 /nfs/dbraw/zinc/19/81/24/966198124.db2.gz JXGMHGPKGMTPFI-UHFFFAOYSA-N 2 1 206.289 1.173 20 10 BDCDMP Oc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380664 966656396 /nfs/dbraw/zinc/65/63/96/966656396.db2.gz GQKWOQCNIISYIV-GXTWGEPZSA-N 2 1 246.354 1.966 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075353 968043399 /nfs/dbraw/zinc/04/33/99/968043399.db2.gz HRVVYGAFTYETCH-ZYHUDNBSSA-N 2 1 220.316 1.480 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075353 968043414 /nfs/dbraw/zinc/04/34/14/968043414.db2.gz HRVVYGAFTYETCH-ZYHUDNBSSA-N 2 1 220.316 1.480 20 10 BDCDMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001206276498 968191650 /nfs/dbraw/zinc/19/16/50/968191650.db2.gz FITYPILWBLRVSL-NSHDSACASA-N 2 1 219.332 1.310 20 10 BDCDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001206276498 968191651 /nfs/dbraw/zinc/19/16/51/968191651.db2.gz FITYPILWBLRVSL-NSHDSACASA-N 2 1 219.332 1.310 20 10 BDCDMP C[C@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1O ZINC000062747664 969842622 /nfs/dbraw/zinc/84/26/22/969842622.db2.gz YGKWSIMZICHLIR-VIFPVBQESA-N 2 1 226.295 1.921 20 10 BDCDMP C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)CC[NH2+]1 ZINC001210499765 969911300 /nfs/dbraw/zinc/91/13/00/969911300.db2.gz WSVQRISZQWBXSE-LLVKDONJSA-N 2 1 219.332 1.453 20 10 BDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)CC[NH2+]1 ZINC001210499765 969911309 /nfs/dbraw/zinc/91/13/09/969911309.db2.gz WSVQRISZQWBXSE-LLVKDONJSA-N 2 1 219.332 1.453 20 10 BDCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001334754593 976623174 /nfs/dbraw/zinc/62/31/74/976623174.db2.gz PHSKKEKDIBOROC-UHFFFAOYSA-N 2 1 245.370 1.868 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@@H]1C[NH3+] ZINC001334754225 976625785 /nfs/dbraw/zinc/62/57/85/976625785.db2.gz MJRGRGSUSSCFKR-WCQYABFASA-N 2 1 233.359 1.686 20 10 BDCDMP Nc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC001334775501 976645611 /nfs/dbraw/zinc/64/56/11/976645611.db2.gz ZSEOJEBZDCBPKD-AWEZNQCLSA-N 2 1 233.359 1.972 20 10 BDCDMP CC[C@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC001336286195 977614195 /nfs/dbraw/zinc/61/41/95/977614195.db2.gz OLRAFEYBVLLPBU-GXTWGEPZSA-N 2 1 233.359 1.828 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237410093 979885153 /nfs/dbraw/zinc/88/51/53/979885153.db2.gz BJLVEFHMFJTGGD-HIFRSBDPSA-N 2 1 245.370 1.843 20 10 BDCDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001352790089 982581787 /nfs/dbraw/zinc/58/17/87/982581787.db2.gz OJPUTUXKBCYLOT-ZDUSSCGKSA-N 2 1 221.348 1.876 20 10 BDCDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC001246865766 988623402 /nfs/dbraw/zinc/62/34/02/988623402.db2.gz RADGSWGKRQVYBX-YPMHNXCESA-N 2 1 234.343 1.965 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)CC(C)(C)C[NH3+] ZINC001262486949 992890488 /nfs/dbraw/zinc/89/04/88/992890488.db2.gz GDFPQTORJGQMDS-UHFFFAOYSA-N 2 1 221.348 1.686 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001336286517 995000346 /nfs/dbraw/zinc/00/03/46/995000346.db2.gz QZZQPUFJFLKQLD-OCCSQVGLSA-N 2 1 231.343 1.453 20 10 BDCDMP Cc1cc(O)c(C[NH2+][C@@H](C)C[NH3+])cc1C ZINC000841063906 584127037 /nfs/dbraw/zinc/12/70/37/584127037.db2.gz SJSIAVBQSAWRRJ-JTQLQIEISA-N 2 1 208.305 1.446 20 10 BDCDMP [NH3+][C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000904355462 584871156 /nfs/dbraw/zinc/87/11/56/584871156.db2.gz NYYSKDABVXZCNC-CQSZACIVSA-N 2 1 246.354 1.839 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1C[NH3+] ZINC000904411543 584879808 /nfs/dbraw/zinc/87/98/08/584879808.db2.gz MELHORFVXSZWOO-NEPJUHHUSA-N 2 1 234.343 1.809 20 10 BDCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1O ZINC000817959440 586851857 /nfs/dbraw/zinc/85/18/57/586851857.db2.gz FYNNPADIMNHZSS-SKDRFNHKSA-N 2 1 220.316 1.780 20 10 BDCDMP Cc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])c(O)c1 ZINC000817966297 586855413 /nfs/dbraw/zinc/85/54/13/586855413.db2.gz KXZSUOZHJSOMTJ-ZJUUUORDSA-N 2 1 208.305 1.698 20 10 BDCDMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817969660 586856607 /nfs/dbraw/zinc/85/66/07/586856607.db2.gz GFAGOWMBBNIUMJ-WPRPVWTQSA-N 2 1 206.289 1.316 20 10 BDCDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841028882 587935875 /nfs/dbraw/zinc/93/58/75/587935875.db2.gz JVHIRSOODRLMKL-CQSZACIVSA-N 2 1 235.375 1.826 20 10 BDCDMP Cc1cc(O)c(C[NH2+][C@@H](C[NH3+])C2CC2)cc1C ZINC000841027658 587936336 /nfs/dbraw/zinc/93/63/36/587936336.db2.gz DTYZWRVHVPQZRY-ZDUSSCGKSA-N 2 1 234.343 1.836 20 10 BDCDMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000841028684 587936361 /nfs/dbraw/zinc/93/63/61/587936361.db2.gz QSCGWDHUPPQQSD-CYBMUJFWSA-N 2 1 232.327 1.448 20 10 BDCDMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000841028687 587936540 /nfs/dbraw/zinc/93/65/40/587936540.db2.gz QSCGWDHUPPQQSD-ZDUSSCGKSA-N 2 1 232.327 1.448 20 10 BDCDMP C[C@@H]1CCNC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841058451 587940890 /nfs/dbraw/zinc/94/08/90/587940890.db2.gz HEMWVDSLODJIKO-BXKDBHETSA-N 2 1 238.306 1.619 20 10 BDCDMP CC1([NH2+]Cc2cccc(F)c2O)CC[NH2+]CC1 ZINC000841065900 587941398 /nfs/dbraw/zinc/94/13/98/587941398.db2.gz UVQZBUWRHKPAST-UHFFFAOYSA-N 2 1 238.306 1.763 20 10 BDCDMP Cc1cc(O)c(C[NH2+][C@H](C)C[NH3+])cc1C ZINC000841060189 587941943 /nfs/dbraw/zinc/94/19/43/587941943.db2.gz SJSIAVBQSAWRRJ-SNVBAGLBSA-N 2 1 208.305 1.446 20 10 BDCDMP Cc1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1O ZINC000843046123 588075783 /nfs/dbraw/zinc/07/57/83/588075783.db2.gz NWPNKJURAURGPM-UHFFFAOYSA-N 2 1 234.343 1.884 20 10 BDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1O ZINC000843058046 588077888 /nfs/dbraw/zinc/07/78/88/588077888.db2.gz NZRRFYRTVYDVOW-UWVGGRQHSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1O ZINC000843058046 588077889 /nfs/dbraw/zinc/07/78/89/588077889.db2.gz NZRRFYRTVYDVOW-UWVGGRQHSA-N 2 1 238.306 1.700 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843057260 588078012 /nfs/dbraw/zinc/07/80/12/588078012.db2.gz HQPKZQKXOPMRLL-NEPJUHHUSA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000873216547 589997852 /nfs/dbraw/zinc/99/78/52/589997852.db2.gz QEJHFQGAHXODOZ-MWLCHTKSSA-N 2 1 238.306 1.558 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000873216547 589997853 /nfs/dbraw/zinc/99/78/53/589997853.db2.gz QEJHFQGAHXODOZ-MWLCHTKSSA-N 2 1 238.306 1.558 20 10 BDCDMP Cc1[nH+]ccn1CC[NH2+]Cc1c(C)cccc1O ZINC000876990702 590266229 /nfs/dbraw/zinc/26/62/29/590266229.db2.gz AGJUDOMVDWNSBD-UHFFFAOYSA-N 2 1 245.326 1.995 20 10 BDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000126808987 590458726 /nfs/dbraw/zinc/45/87/26/590458726.db2.gz IZIWIZHNIOPASS-GXTWGEPZSA-N 2 1 247.386 1.922 20 10 BDCDMP [NH3+]C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000128314004 590978082 /nfs/dbraw/zinc/97/80/82/590978082.db2.gz LWBZJXQERJHQKH-UHFFFAOYSA-N 2 1 240.734 1.969 20 10 BDCDMP CC(C)([NH3+])C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000258936124 631687794 /nfs/dbraw/zinc/68/77/94/631687794.db2.gz VWUUINUWKFGCIT-UHFFFAOYSA-N 2 1 220.316 1.448 20 10 BDCDMP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000169233789 633158897 /nfs/dbraw/zinc/15/88/97/633158897.db2.gz JPUWJPNXZJGZHY-LBPRGKRZSA-N 2 1 220.316 1.576 20 10 BDCDMP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000169233789 633158902 /nfs/dbraw/zinc/15/89/02/633158902.db2.gz JPUWJPNXZJGZHY-LBPRGKRZSA-N 2 1 220.316 1.576 20 10 BDCDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925689554 646416075 /nfs/dbraw/zinc/41/60/75/646416075.db2.gz BXKNOEXKDGFNJK-RISCZKNCSA-N 2 1 233.359 1.541 20 10 BDCDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccccc1O)C2 ZINC000702596642 712056379 /nfs/dbraw/zinc/05/63/79/712056379.db2.gz GTNUNYTUEULYJC-GASCZTMLSA-N 2 1 246.354 1.824 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000708890251 712202665 /nfs/dbraw/zinc/20/26/65/712202665.db2.gz WJQNWTIBOMHSNB-GXSJLCMTSA-N 2 1 238.306 1.558 20 10 BDCDMP C[C@H]([NH2+]CC[NH3+])c1ccc(N(C)C)cc1 ZINC000037712896 712744621 /nfs/dbraw/zinc/74/46/21/712744621.db2.gz BLLWKDDEPSYKPD-JTQLQIEISA-N 2 1 207.321 1.362 20 10 BDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001205095454 965743498 /nfs/dbraw/zinc/74/34/98/965743498.db2.gz XRZGJWAFGASEOL-LLVKDONJSA-N 2 1 236.315 1.411 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC001204792705 967174938 /nfs/dbraw/zinc/17/49/38/967174938.db2.gz YVXWNTKNEBZPNN-CYBMUJFWSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1O ZINC001204792705 967174949 /nfs/dbraw/zinc/17/49/49/967174949.db2.gz YVXWNTKNEBZPNN-CYBMUJFWSA-N 2 1 220.316 1.624 20 10 BDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001205102648 967343645 /nfs/dbraw/zinc/34/36/45/967343645.db2.gz VDBFZVHWVZSELJ-LBPRGKRZSA-N 2 1 238.306 1.845 20 10 BDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N)cc2)C1 ZINC001205840968 967848309 /nfs/dbraw/zinc/84/83/09/967848309.db2.gz JDYQNCPXRUVPNP-FZMZJTMJSA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N)cc2)C1 ZINC001205840968 967848310 /nfs/dbraw/zinc/84/83/10/967848310.db2.gz JDYQNCPXRUVPNP-FZMZJTMJSA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206730306 968444406 /nfs/dbraw/zinc/44/44/06/968444406.db2.gz RDQWNWDBOLKMBV-UHFFFAOYSA-N 2 1 220.316 1.481 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206196908 975127318 /nfs/dbraw/zinc/12/73/18/975127318.db2.gz DZWBEFBNWIVIRZ-OLZOCXBDSA-N 2 1 237.322 1.530 20 10 BDCDMP Nc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206196908 975127325 /nfs/dbraw/zinc/12/73/25/975127325.db2.gz DZWBEFBNWIVIRZ-OLZOCXBDSA-N 2 1 237.322 1.530 20 10 BDCDMP Nc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206196906 975128828 /nfs/dbraw/zinc/12/88/28/975128828.db2.gz DZWBEFBNWIVIRZ-CHWSQXEVSA-N 2 1 237.322 1.530 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206196906 975128830 /nfs/dbraw/zinc/12/88/30/975128830.db2.gz DZWBEFBNWIVIRZ-CHWSQXEVSA-N 2 1 237.322 1.530 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236173518 979433013 /nfs/dbraw/zinc/43/30/13/979433013.db2.gz KLBMSCVLJGBOTD-SNVBAGLBSA-N 2 1 206.289 1.234 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236173518 979433022 /nfs/dbraw/zinc/43/30/22/979433022.db2.gz KLBMSCVLJGBOTD-SNVBAGLBSA-N 2 1 206.289 1.234 20 10 BDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334753479 994627555 /nfs/dbraw/zinc/62/75/55/994627555.db2.gz FFHYEKMCJBSBQH-CMPLNLGQSA-N 2 1 219.332 1.438 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334753481 994628706 /nfs/dbraw/zinc/62/87/06/994628706.db2.gz FFHYEKMCJBSBQH-PWSUYJOCSA-N 2 1 219.332 1.438 20 10 BDCDMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355998 584871231 /nfs/dbraw/zinc/87/12/31/584871231.db2.gz ZHTGWJFQAOBRSI-QWRGUYRKSA-N 2 1 234.343 1.837 20 10 BDCDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000841085452 584883440 /nfs/dbraw/zinc/88/34/40/584883440.db2.gz CQHUCOPUYZPXJP-ZDUSSCGKSA-N 2 1 234.343 1.931 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000843127262 586413325 /nfs/dbraw/zinc/41/33/25/586413325.db2.gz PCQWBTMSVVHONB-TZMCWYRMSA-N 2 1 246.354 1.884 20 10 BDCDMP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817894129 586833764 /nfs/dbraw/zinc/83/37/64/586833764.db2.gz BYCDORRBKJPBFS-KGLIPLIRSA-N 2 1 233.359 1.722 20 10 BDCDMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817934968 586843102 /nfs/dbraw/zinc/84/31/02/586843102.db2.gz DEGQFFIJEMJYHE-SECBINFHSA-N 2 1 238.306 1.934 20 10 BDCDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[N@H+]1C ZINC000817956272 586850186 /nfs/dbraw/zinc/85/01/86/586850186.db2.gz VNRNFJXPDVJFOF-DOMZBBRYSA-N 2 1 247.386 1.884 20 10 BDCDMP CN(C)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000841027485 587936446 /nfs/dbraw/zinc/93/64/46/587936446.db2.gz BYUAIVVLONPBQK-CQSZACIVSA-N 2 1 233.359 1.580 20 10 BDCDMP Cc1ccc(O)c(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000841027763 587936510 /nfs/dbraw/zinc/93/65/10/587936510.db2.gz FXVQMQJGRDOLAB-GFCCVEGCSA-N 2 1 220.316 1.528 20 10 BDCDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(F)ccc1O ZINC000841031763 587937180 /nfs/dbraw/zinc/93/71/80/587937180.db2.gz WQXUMVLMIUDZKZ-LLVKDONJSA-N 2 1 226.295 1.604 20 10 BDCDMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1C ZINC000841049740 587939937 /nfs/dbraw/zinc/93/99/37/587939937.db2.gz NKPDJAYAELMHQV-CYBMUJFWSA-N 2 1 234.343 1.831 20 10 BDCDMP COc1ccc(C[NH2+][C@H](C)C[NH3+])cc1C ZINC000841060392 587941141 /nfs/dbraw/zinc/94/11/41/587941141.db2.gz XXQRAPJQXZJGCP-SNVBAGLBSA-N 2 1 208.305 1.440 20 10 BDCDMP CCOc1ccc(O)c(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000841062749 587941499 /nfs/dbraw/zinc/94/14/99/587941499.db2.gz CZHQUNZUBSRMPH-VIFPVBQESA-N 2 1 224.304 1.228 20 10 BDCDMP C[C@@H](C[NH3+])[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841067477 587942844 /nfs/dbraw/zinc/94/28/44/587942844.db2.gz ZLKRYKFIDBVGJG-RXNFCKPNSA-N 2 1 233.359 1.703 20 10 BDCDMP Oc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123169 588083741 /nfs/dbraw/zinc/08/37/41/588083741.db2.gz IMLPBBABCVNXDY-HNNXBMFYSA-N 2 1 246.354 1.968 20 10 BDCDMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000843127139 588085079 /nfs/dbraw/zinc/08/50/79/588085079.db2.gz ZRQPHGCBKYBMQS-FZMZJTMJSA-N 2 1 233.359 1.399 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876818589 590245713 /nfs/dbraw/zinc/24/57/13/590245713.db2.gz WKZRCUCCIKCTFL-TXEJJXNPSA-N 2 1 232.327 1.352 20 10 BDCDMP C[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000162082978 632872823 /nfs/dbraw/zinc/87/28/23/632872823.db2.gz KIPUAWUECVAZQO-SNVBAGLBSA-N 2 1 207.321 1.189 20 10 BDCDMP C[N@@H+](CCC[NH2+]C1CC1)Cc1ccccc1O ZINC000923307721 644338307 /nfs/dbraw/zinc/33/83/07/644338307.db2.gz ZRJLGOCYDDUGOC-UHFFFAOYSA-N 2 1 234.343 1.966 20 10 BDCDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925689555 646416771 /nfs/dbraw/zinc/41/67/71/646416771.db2.gz BXKNOEXKDGFNJK-SMDDNHRTSA-N 2 1 233.359 1.541 20 10 BDCDMP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000380671497 712902429 /nfs/dbraw/zinc/90/24/29/712902429.db2.gz BKHCCEXHBXNQMM-WDEREUQCSA-N 2 1 221.348 1.578 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000708823714 712199930 /nfs/dbraw/zinc/19/99/30/712199930.db2.gz VYHOOXKTICEUQP-TZMCWYRMSA-N 2 1 247.386 1.779 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235153499 966009573 /nfs/dbraw/zinc/00/95/73/966009573.db2.gz ABUUAYFEVXTCNU-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccccc1O)C2 ZINC001235166485 966022077 /nfs/dbraw/zinc/02/20/77/966022077.db2.gz SUSBAMFUKKRZPG-WCQYABFASA-N 2 1 218.300 1.315 20 10 BDCDMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccccc1O)C2 ZINC001235166485 966022088 /nfs/dbraw/zinc/02/20/88/966022088.db2.gz SUSBAMFUKKRZPG-WCQYABFASA-N 2 1 218.300 1.315 20 10 BDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2O)CC[C@H]1F ZINC001206154032 974317929 /nfs/dbraw/zinc/31/79/29/974317929.db2.gz GLRFEOSAXRILHI-NEPJUHHUSA-N 2 1 238.306 1.653 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235991062 979276085 /nfs/dbraw/zinc/27/60/85/979276085.db2.gz NYJHRYPOFMSKBR-BXUZGUMPSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c1O ZINC001236245477 979467699 /nfs/dbraw/zinc/46/76/99/979467699.db2.gz PNLNAHCOCABORJ-GFCCVEGCSA-N 2 1 234.343 1.932 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])c1O ZINC001236245477 979467703 /nfs/dbraw/zinc/46/77/03/979467703.db2.gz PNLNAHCOCABORJ-GFCCVEGCSA-N 2 1 234.343 1.932 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001356082908 983572259 /nfs/dbraw/zinc/57/22/59/983572259.db2.gz HMAWKOXSCSYRIL-BXUZGUMPSA-N 2 1 233.359 1.971 20 10 BDCDMP Oc1c(F)cccc1C[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001580888757 984621863 /nfs/dbraw/zinc/62/18/63/984621863.db2.gz YCFLRXGSPZQERU-RTCCRHLQSA-N 2 1 236.290 1.086 20 10 BDCDMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)C[NH2+]1 ZINC001246466934 987826931 /nfs/dbraw/zinc/82/69/31/987826931.db2.gz QVDMIOZEXSRKDE-FZMZJTMJSA-N 2 1 233.359 1.541 20 10 BDCDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC001246865763 988618602 /nfs/dbraw/zinc/61/86/02/988618602.db2.gz RADGSWGKRQVYBX-AAEUAGOBSA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC001246865765 988621867 /nfs/dbraw/zinc/62/18/67/988621867.db2.gz RADGSWGKRQVYBX-WCQYABFASA-N 2 1 234.343 1.965 20 10 BDCDMP C[NH+](C)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000036190892 991523547 /nfs/dbraw/zinc/52/35/47/991523547.db2.gz GOTWSGQFKDGJFG-UHFFFAOYSA-N 2 1 233.359 1.795 20 10 BDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000071409539 173382245 /nfs/dbraw/zinc/38/22/45/173382245.db2.gz VVPNPEXDLMUKJW-GFCCVEGCSA-N 2 1 234.343 1.742 20 10 BDCDMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000857226542 588896149 /nfs/dbraw/zinc/89/61/49/588896149.db2.gz QUCPGBJOYHLZPH-OCCSQVGLSA-N 2 1 232.327 1.705 20 10 BDCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000841035730 584042725 /nfs/dbraw/zinc/04/27/25/584042725.db2.gz LAUAGPSVQBMVAZ-LBPRGKRZSA-N 2 1 220.316 1.542 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056953 585335642 /nfs/dbraw/zinc/33/56/42/585335642.db2.gz DEEFFOSCOIUEPO-NEPJUHHUSA-N 2 1 234.343 1.870 20 10 BDCDMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817894131 586834399 /nfs/dbraw/zinc/83/43/99/586834399.db2.gz BYCDORRBKJPBFS-ZIAGYGMSSA-N 2 1 233.359 1.722 20 10 BDCDMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000817953307 586848609 /nfs/dbraw/zinc/84/86/09/586848609.db2.gz ZTIDAOBFFIIORT-QWRGUYRKSA-N 2 1 220.316 1.795 20 10 BDCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000817953602 586848636 /nfs/dbraw/zinc/84/86/36/586848636.db2.gz OXXXQNLHKJOAEM-RYUDHWBXSA-N 2 1 232.327 1.721 20 10 BDCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1O ZINC000817959436 586851499 /nfs/dbraw/zinc/85/14/99/586851499.db2.gz FYNNPADIMNHZSS-CABZTGNLSA-N 2 1 220.316 1.780 20 10 BDCDMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000817962955 586852788 /nfs/dbraw/zinc/85/27/88/586852788.db2.gz PSQFSFXASMLSHY-RKDXNWHRSA-N 2 1 226.295 1.777 20 10 BDCDMP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000817966264 586855190 /nfs/dbraw/zinc/85/51/90/586855190.db2.gz JXHWLARLVXZPLP-BDAKNGLRSA-N 2 1 224.304 1.399 20 10 BDCDMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817969659 586855919 /nfs/dbraw/zinc/85/59/19/586855919.db2.gz GFAGOWMBBNIUMJ-WCBMZHEXSA-N 2 1 206.289 1.316 20 10 BDCDMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000817972186 586859028 /nfs/dbraw/zinc/85/90/28/586859028.db2.gz UWPPINVTCIYUCL-WDEREUQCSA-N 2 1 221.348 1.750 20 10 BDCDMP C[C@H](C[NH3+])[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841061495 587941561 /nfs/dbraw/zinc/94/15/61/587941561.db2.gz ZLKRYKFIDBVGJG-ZYOFXKKJSA-N 2 1 233.359 1.703 20 10 BDCDMP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841081255 587944817 /nfs/dbraw/zinc/94/48/17/587944817.db2.gz RXTFYWRIODOXQX-VIFPVBQESA-N 2 1 226.295 1.748 20 10 BDCDMP COc1cccc(O)c1C[N@@H+](C)CCC[NH3+] ZINC000843050176 588076795 /nfs/dbraw/zinc/07/67/95/588076795.db2.gz AHGIPRAKGINHEQ-UHFFFAOYSA-N 2 1 224.304 1.181 20 10 BDCDMP C[N@H+](CC[C@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863558594 589299130 /nfs/dbraw/zinc/29/91/30/589299130.db2.gz ONOPUSVSLMACIZ-LLVKDONJSA-N 2 1 219.332 1.705 20 10 BDCDMP C[N@@H+](CC[C@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863558594 589299131 /nfs/dbraw/zinc/29/91/31/589299131.db2.gz ONOPUSVSLMACIZ-LLVKDONJSA-N 2 1 219.332 1.705 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000124738886 590080384 /nfs/dbraw/zinc/08/03/84/590080384.db2.gz YZKREQRQNJVQKB-UHFFFAOYSA-N 2 1 235.375 1.794 20 10 BDCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000259024271 635233686 /nfs/dbraw/zinc/23/36/86/635233686.db2.gz OGXBHZJNOYARLE-STQMWFEESA-N 2 1 232.327 1.591 20 10 BDCDMP Oc1ccc(F)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000226580321 640775769 /nfs/dbraw/zinc/77/57/69/640775769.db2.gz ACRVEIXFSMZIJB-PHIMTYICSA-N 2 1 236.290 1.183 20 10 BDCDMP Oc1ccc(F)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000226580321 640775771 /nfs/dbraw/zinc/77/57/71/640775771.db2.gz ACRVEIXFSMZIJB-PHIMTYICSA-N 2 1 236.290 1.183 20 10 BDCDMP COc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000385090306 711006186 /nfs/dbraw/zinc/00/61/86/711006186.db2.gz XURDTTTUARWOIS-UHFFFAOYSA-N 2 1 236.315 1.322 20 10 BDCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CC[N@@H+]1C ZINC000090721242 711503132 /nfs/dbraw/zinc/50/31/32/711503132.db2.gz ULPUYZMYDUJNPC-YPMHNXCESA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CC[N@H+]1C ZINC000090721242 711503136 /nfs/dbraw/zinc/50/31/36/711503136.db2.gz ULPUYZMYDUJNPC-YPMHNXCESA-N 2 1 234.343 1.965 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000168515031 711684540 /nfs/dbraw/zinc/68/45/40/711684540.db2.gz KXMIPCKVRURRCB-QWRGUYRKSA-N 2 1 220.316 1.561 20 10 BDCDMP C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC000163405740 711793789 /nfs/dbraw/zinc/79/37/89/711793789.db2.gz KFVCFYCSMTYJDP-YPMHNXCESA-N 2 1 234.343 1.809 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000708885214 712202646 /nfs/dbraw/zinc/20/26/46/712202646.db2.gz WSDXCFFCTGXXNY-DGCLKSJQSA-N 2 1 234.343 1.727 20 10 BDCDMP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075337 971473809 /nfs/dbraw/zinc/47/38/09/971473809.db2.gz GWZWDFYYONXIDQ-ZWNOBZJWSA-N 2 1 234.343 1.734 20 10 BDCDMP CCc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075337 971473819 /nfs/dbraw/zinc/47/38/19/971473819.db2.gz GWZWDFYYONXIDQ-ZWNOBZJWSA-N 2 1 234.343 1.734 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235986468 966202028 /nfs/dbraw/zinc/20/20/28/966202028.db2.gz DWEULTAJFZETLV-YPMHNXCESA-N 2 1 217.316 1.192 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235986468 966202044 /nfs/dbraw/zinc/20/20/44/966202044.db2.gz DWEULTAJFZETLV-YPMHNXCESA-N 2 1 217.316 1.192 20 10 BDCDMP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235991341 966210324 /nfs/dbraw/zinc/21/03/24/966210324.db2.gz LLSZNTFLXKXEBW-WFASDCNBSA-N 2 1 246.354 1.932 20 10 BDCDMP Cc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204782253 967163296 /nfs/dbraw/zinc/16/32/96/967163296.db2.gz BHMZVGQQNGEEKF-CYBMUJFWSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204782253 967163305 /nfs/dbraw/zinc/16/33/05/967163305.db2.gz BHMZVGQQNGEEKF-CYBMUJFWSA-N 2 1 220.316 1.624 20 10 BDCDMP [NH3+][C@H]1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001205101375 967344548 /nfs/dbraw/zinc/34/45/48/967344548.db2.gz DJCNHACERQIRLG-NSHDSACASA-N 2 1 238.306 1.845 20 10 BDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001205101375 967344565 /nfs/dbraw/zinc/34/45/65/967344565.db2.gz DJCNHACERQIRLG-NSHDSACASA-N 2 1 238.306 1.845 20 10 BDCDMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(N)cc1 ZINC001205331825 967547354 /nfs/dbraw/zinc/54/73/54/967547354.db2.gz JZNWVHOBYYJFDW-NSHDSACASA-N 2 1 219.332 1.453 20 10 BDCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(N)cc1 ZINC001205331825 967547364 /nfs/dbraw/zinc/54/73/64/967547364.db2.gz JZNWVHOBYYJFDW-NSHDSACASA-N 2 1 219.332 1.453 20 10 BDCDMP CCO[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001334753238 976618284 /nfs/dbraw/zinc/61/82/84/976618284.db2.gz BJQLDQDMIZXURO-TZMCWYRMSA-N 2 1 249.358 1.064 20 10 BDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334774813 976646033 /nfs/dbraw/zinc/64/60/33/976646033.db2.gz OXZWRQCUCPYWFC-DGCLKSJQSA-N 2 1 233.359 1.828 20 10 BDCDMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001235977268 979244917 /nfs/dbraw/zinc/24/49/17/979244917.db2.gz FYUAGQBMNBEJSQ-DGCLKSJQSA-N 2 1 218.300 1.315 20 10 BDCDMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001235977268 979244932 /nfs/dbraw/zinc/24/49/32/979244932.db2.gz FYUAGQBMNBEJSQ-DGCLKSJQSA-N 2 1 218.300 1.315 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001352788074 982578819 /nfs/dbraw/zinc/57/88/19/982578819.db2.gz AXBHXUUHIDHWQI-QWHCGFSZSA-N 2 1 231.343 1.310 20 10 BDCDMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001356082909 983570608 /nfs/dbraw/zinc/57/06/08/983570608.db2.gz HMAWKOXSCSYRIL-FZMZJTMJSA-N 2 1 233.359 1.971 20 10 BDCDMP COc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1O ZINC000692028291 985216595 /nfs/dbraw/zinc/21/65/95/985216595.db2.gz JHKUWTXDEPYPRX-UHFFFAOYSA-N 2 1 238.331 1.570 20 10 BDCDMP COc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1O ZINC000692028291 985216606 /nfs/dbraw/zinc/21/66/06/985216606.db2.gz JHKUWTXDEPYPRX-UHFFFAOYSA-N 2 1 238.331 1.570 20 10 BDCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246277519 987672302 /nfs/dbraw/zinc/67/23/02/987672302.db2.gz IFKCJOSMKCYPBX-MWLCHTKSSA-N 2 1 236.315 1.328 20 10 BDCDMP Cc1ccc(O)c(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206724009 990948578 /nfs/dbraw/zinc/94/85/78/990948578.db2.gz ZBIIMMQLLJBCHB-UHFFFAOYSA-N 2 1 220.316 1.481 20 10 BDCDMP CN(C)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000841049571 584124292 /nfs/dbraw/zinc/12/42/92/584124292.db2.gz LIJNFGOMCYIUEA-AWEZNQCLSA-N 2 1 233.359 1.580 20 10 BDCDMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000902417546 584591042 /nfs/dbraw/zinc/59/10/42/584591042.db2.gz SOSLMENBZHGGKN-NSHDSACASA-N 2 1 233.359 1.895 20 10 BDCDMP [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000779030524 585744367 /nfs/dbraw/zinc/74/43/67/585744367.db2.gz OFCSVWWUOJEJRO-PHIMTYICSA-N 2 1 236.290 1.183 20 10 BDCDMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817962953 586853090 /nfs/dbraw/zinc/85/30/90/586853090.db2.gz PSQFSFXASMLSHY-IUCAKERBSA-N 2 1 226.295 1.777 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1c(O)cccc1OC ZINC000841069645 587942343 /nfs/dbraw/zinc/94/23/43/587942343.db2.gz CBXCTDQPXGGQRP-SECBINFHSA-N 2 1 224.304 1.228 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841071349 587942826 /nfs/dbraw/zinc/94/28/26/587942826.db2.gz DQAJPUUGUIWSIY-LLVKDONJSA-N 2 1 239.338 1.719 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[NH3+] ZINC000841066911 587942958 /nfs/dbraw/zinc/94/29/58/587942958.db2.gz RIHTWBCWANFFEH-NSHDSACASA-N 2 1 221.348 1.498 20 10 BDCDMP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841081252 587944540 /nfs/dbraw/zinc/94/45/40/587944540.db2.gz RXTFYWRIODOXQX-SECBINFHSA-N 2 1 226.295 1.748 20 10 BDCDMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000843045961 588076395 /nfs/dbraw/zinc/07/63/95/588076395.db2.gz MSUBNSJLGBFHKR-UHFFFAOYSA-N 2 1 247.386 1.936 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000843120255 588083364 /nfs/dbraw/zinc/08/33/64/588083364.db2.gz BGLJNWBPOCHEAO-IUODEOHRSA-N 2 1 247.386 1.840 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000843120255 588083366 /nfs/dbraw/zinc/08/33/66/588083366.db2.gz BGLJNWBPOCHEAO-IUODEOHRSA-N 2 1 247.386 1.840 20 10 BDCDMP Nc1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000843126657 588084644 /nfs/dbraw/zinc/08/46/44/588084644.db2.gz SFHVTBCJKYNXAB-CYBMUJFWSA-N 2 1 219.332 1.153 20 10 BDCDMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000843127147 588084882 /nfs/dbraw/zinc/08/48/82/588084882.db2.gz ZRQPHGCBKYBMQS-RISCZKNCSA-N 2 1 233.359 1.399 20 10 BDCDMP Oc1ccccc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229691 590002424 /nfs/dbraw/zinc/00/24/24/590002424.db2.gz DVJZGEWFALIQDO-KGLIPLIRSA-N 2 1 232.327 1.766 20 10 BDCDMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1O ZINC000873259037 590012846 /nfs/dbraw/zinc/01/28/46/590012846.db2.gz XVIWMGVYNDIWFG-FXPVBKGRSA-N 2 1 238.306 1.919 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000070955787 643085738 /nfs/dbraw/zinc/08/57/38/643085738.db2.gz JSGGXZZHSJSTBG-NSHDSACASA-N 2 1 220.316 1.481 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723678483 711533978 /nfs/dbraw/zinc/53/39/78/711533978.db2.gz UFGFUXURHAYYQI-AWEZNQCLSA-N 2 1 247.386 1.923 20 10 BDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000168514854 711684547 /nfs/dbraw/zinc/68/45/47/711684547.db2.gz KXMIPCKVRURRCB-WDEREUQCSA-N 2 1 220.316 1.561 20 10 BDCDMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1O ZINC000227742660 711832731 /nfs/dbraw/zinc/83/27/31/711832731.db2.gz YCRPECFCLXYNHK-UHFFFAOYSA-N 2 1 228.723 1.826 20 10 BDCDMP Cc1cc(C)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204792649 963595893 /nfs/dbraw/zinc/59/58/93/963595893.db2.gz XUFJWKPEFJSGPI-AWEZNQCLSA-N 2 1 234.343 1.932 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204792649 963595898 /nfs/dbraw/zinc/59/58/98/963595898.db2.gz XUFJWKPEFJSGPI-AWEZNQCLSA-N 2 1 234.343 1.932 20 10 BDCDMP CCc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204800468 967176758 /nfs/dbraw/zinc/17/67/58/967176758.db2.gz DEUMIAREKRBVLF-CQSZACIVSA-N 2 1 234.343 1.878 20 10 BDCDMP CCc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204800468 967176763 /nfs/dbraw/zinc/17/67/63/967176763.db2.gz DEUMIAREKRBVLF-CQSZACIVSA-N 2 1 234.343 1.878 20 10 BDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC001205317943 967529876 /nfs/dbraw/zinc/52/98/76/967529876.db2.gz QXLSHAPMSMURMJ-YPMHNXCESA-N 2 1 233.359 1.686 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001334774448 976641276 /nfs/dbraw/zinc/64/12/76/976641276.db2.gz HYQYEUWZVULDIL-UHFFFAOYSA-N 2 1 245.370 1.844 20 10 BDCDMP C[C@H]1C[N@H+](Cc2ccc(N)cc2)CCC[NH2+]1 ZINC001236100068 979390010 /nfs/dbraw/zinc/39/00/10/979390010.db2.gz CKBJAVDCQMCKBN-NSHDSACASA-N 2 1 219.332 1.453 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCC[NH2+]1 ZINC001236100068 979390017 /nfs/dbraw/zinc/39/00/17/979390017.db2.gz CKBJAVDCQMCKBN-NSHDSACASA-N 2 1 219.332 1.453 20 10 BDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000040592064 985147660 /nfs/dbraw/zinc/14/76/60/985147660.db2.gz AGPZNXNIQVDWLB-GFCCVEGCSA-N 2 1 234.343 1.824 20 10 BDCDMP Nc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC001262487992 992893404 /nfs/dbraw/zinc/89/34/04/992893404.db2.gz MOBCVKWFKYKPCY-GFCCVEGCSA-N 2 1 205.305 1.096 20 10 BDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC000380056175 993312942 /nfs/dbraw/zinc/31/29/42/993312942.db2.gz NHXGIPOUQMVYIS-LBPRGKRZSA-N 2 1 234.343 1.953 20 10 BDCDMP Nc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC001335288874 994714179 /nfs/dbraw/zinc/71/41/79/994714179.db2.gz ISSVLUJYHBBRLR-UHFFFAOYSA-N 2 1 231.343 1.597 20 10 BDCDMP Oc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649359 183303025 /nfs/dbraw/zinc/30/30/25/183303025.db2.gz CCJQMMIYKDCWTQ-GFCCVEGCSA-N 2 1 246.354 1.966 20 10 BDCDMP Oc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421186 584882199 /nfs/dbraw/zinc/88/21/99/584882199.db2.gz RSCAMUNXNWFTQM-WCQYABFASA-N 2 1 232.327 1.434 20 10 BDCDMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1O ZINC000817964710 586853786 /nfs/dbraw/zinc/85/37/86/586853786.db2.gz FNZMDIPFLNRYLO-MRVPVSSYSA-N 2 1 224.279 1.401 20 10 BDCDMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1O ZINC000817964944 586853793 /nfs/dbraw/zinc/85/37/93/586853793.db2.gz KBSKADQNZIZHQQ-GFCCVEGCSA-N 2 1 238.306 1.791 20 10 BDCDMP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970034 586856005 /nfs/dbraw/zinc/85/60/05/586856005.db2.gz JXHWLARLVXZPLP-IUCAKERBSA-N 2 1 224.304 1.399 20 10 BDCDMP COc1cccc(O)c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000841028903 587936157 /nfs/dbraw/zinc/93/61/57/587936157.db2.gz KQWJTUHUWBQFQU-NSHDSACASA-N 2 1 238.331 1.474 20 10 BDCDMP COc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000841027961 587936617 /nfs/dbraw/zinc/93/66/17/587936617.db2.gz HUWPCYBLNFQDCC-LBPRGKRZSA-N 2 1 236.315 1.228 20 10 BDCDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccccc1O ZINC000841037602 587938057 /nfs/dbraw/zinc/93/80/57/587938057.db2.gz BBKKJXNLUBQRAL-GFCCVEGCSA-N 2 1 222.332 1.855 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000841052138 587939668 /nfs/dbraw/zinc/93/96/68/587939668.db2.gz ZVPPVJVBEIAGOK-OAHLLOKOSA-N 2 1 247.386 1.888 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000841052137 587939869 /nfs/dbraw/zinc/93/98/69/587939869.db2.gz ZVPPVJVBEIAGOK-HNNXBMFYSA-N 2 1 247.386 1.888 20 10 BDCDMP C[C@H](CC[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841052274 587940301 /nfs/dbraw/zinc/94/03/01/587940301.db2.gz SQRXWZDGQZUXDI-MRVPVSSYSA-N 2 1 212.268 1.358 20 10 BDCDMP C[C@H]1CCNC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841059396 587940831 /nfs/dbraw/zinc/94/08/31/587940831.db2.gz RMGNIIKWWRGANC-SWLSCSKDSA-N 2 1 247.386 1.840 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000841070118 587942362 /nfs/dbraw/zinc/94/23/62/587942362.db2.gz LPCHJGXOVQAGKX-GFCCVEGCSA-N 2 1 222.332 1.831 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000841076956 587943796 /nfs/dbraw/zinc/94/37/96/587943796.db2.gz UUCLIABKEAKQTN-NEPJUHHUSA-N 2 1 235.375 1.886 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+]Cc1cc(F)ccc1O ZINC000841072587 587944345 /nfs/dbraw/zinc/94/43/45/587944345.db2.gz QOVDBSMWMFGKLU-JTQLQIEISA-N 2 1 212.268 1.358 20 10 BDCDMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1O ZINC000841087256 587946085 /nfs/dbraw/zinc/94/60/85/587946085.db2.gz SJGHCBFQEVFPGO-LBPRGKRZSA-N 2 1 234.343 1.931 20 10 BDCDMP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1O ZINC000843043719 588076191 /nfs/dbraw/zinc/07/61/91/588076191.db2.gz FBFXYOVHQGEWQD-GFCCVEGCSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1O ZINC000843043719 588076192 /nfs/dbraw/zinc/07/61/92/588076192.db2.gz FBFXYOVHQGEWQD-GFCCVEGCSA-N 2 1 220.316 1.624 20 10 BDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843058754 588078216 /nfs/dbraw/zinc/07/82/16/588078216.db2.gz XNTFKSGCMNVVJB-NXEZZACHSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843058754 588078218 /nfs/dbraw/zinc/07/82/18/588078218.db2.gz XNTFKSGCMNVVJB-NXEZZACHSA-N 2 1 238.306 1.700 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000843115710 588082813 /nfs/dbraw/zinc/08/28/13/588082813.db2.gz JJGKIILUCOCJOU-CQSZACIVSA-N 2 1 234.343 1.871 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843120442 588083652 /nfs/dbraw/zinc/08/36/52/588083652.db2.gz KRPNTNIKKMOGJX-HNNXBMFYSA-N 2 1 246.354 1.886 20 10 BDCDMP CCc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000848889115 588417693 /nfs/dbraw/zinc/41/76/93/588417693.db2.gz FUUJTCYXZCFVAQ-OKILXGFUSA-N 2 1 246.354 1.606 20 10 BDCDMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000849350040 588474786 /nfs/dbraw/zinc/47/47/86/588474786.db2.gz ODFZXWWDMVXGDU-UHFFFAOYSA-N 2 1 246.354 1.983 20 10 BDCDMP C[NH2+]CCC[N@H+](C)Cc1cc(F)ccc1O ZINC000234369299 631474198 /nfs/dbraw/zinc/47/41/98/631474198.db2.gz KCYWJKJXWIGFBY-UHFFFAOYSA-N 2 1 226.295 1.573 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1cc(F)ccc1O ZINC000234369299 631474203 /nfs/dbraw/zinc/47/42/03/631474203.db2.gz KCYWJKJXWIGFBY-UHFFFAOYSA-N 2 1 226.295 1.573 20 10 BDCDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000310379966 632734487 /nfs/dbraw/zinc/73/44/87/632734487.db2.gz PIBZKIIYWGNPCA-CYBMUJFWSA-N 2 1 238.306 1.702 20 10 BDCDMP CN(C)c1ccc(/C=C\C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904445567 637413431 /nfs/dbraw/zinc/41/34/31/637413431.db2.gz XBKPJHMOVJWSFU-ARJAWSKDSA-N 2 1 245.370 1.847 20 10 BDCDMP Cc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1N(C)C ZINC000923278633 644311105 /nfs/dbraw/zinc/31/11/05/644311105.db2.gz XKTZIMAZEXGMFJ-UHFFFAOYSA-N 2 1 247.386 1.856 20 10 BDCDMP Cc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1N(C)C ZINC000923278633 644311109 /nfs/dbraw/zinc/31/11/09/644311109.db2.gz XKTZIMAZEXGMFJ-UHFFFAOYSA-N 2 1 247.386 1.856 20 10 BDCDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000843129578 645266925 /nfs/dbraw/zinc/26/69/25/645266925.db2.gz PXIDOIYLXMHSMR-DTWKUNHWSA-N 2 1 226.295 1.747 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000386458309 711029959 /nfs/dbraw/zinc/02/99/59/711029959.db2.gz SGDRVJALXNOZON-OAHLLOKOSA-N 2 1 247.386 1.923 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997614 966223460 /nfs/dbraw/zinc/22/34/60/966223460.db2.gz WNXFZBNAQDGVKN-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997614 966223471 /nfs/dbraw/zinc/22/34/71/966223471.db2.gz WNXFZBNAQDGVKN-GXTWGEPZSA-N 2 1 232.327 1.624 20 10 BDCDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001205196816 966810878 /nfs/dbraw/zinc/81/08/78/966810878.db2.gz BIWNGWZEPFFWKW-ZWNOBZJWSA-N 2 1 249.358 1.380 20 10 BDCDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001205196816 966810885 /nfs/dbraw/zinc/81/08/85/966810885.db2.gz BIWNGWZEPFFWKW-ZWNOBZJWSA-N 2 1 249.358 1.380 20 10 BDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204279071 966961715 /nfs/dbraw/zinc/96/17/15/966961715.db2.gz PIPDVDQGBGSRMJ-TXEJJXNPSA-N 2 1 248.326 1.091 20 10 BDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204279071 966961728 /nfs/dbraw/zinc/96/17/28/966961728.db2.gz PIPDVDQGBGSRMJ-TXEJJXNPSA-N 2 1 248.326 1.091 20 10 BDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204279071 966961739 /nfs/dbraw/zinc/96/17/39/966961739.db2.gz PIPDVDQGBGSRMJ-TXEJJXNPSA-N 2 1 248.326 1.091 20 10 BDCDMP CCc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204800467 967175781 /nfs/dbraw/zinc/17/57/81/967175781.db2.gz DEUMIAREKRBVLF-AWEZNQCLSA-N 2 1 234.343 1.878 20 10 BDCDMP CCc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204800467 967175797 /nfs/dbraw/zinc/17/57/97/967175797.db2.gz DEUMIAREKRBVLF-AWEZNQCLSA-N 2 1 234.343 1.878 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117155 967363386 /nfs/dbraw/zinc/36/33/86/967363386.db2.gz MCCMFHZVORCAJC-GFCCVEGCSA-N 2 1 219.332 1.582 20 10 BDCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N)cc1 ZINC001205917519 967883341 /nfs/dbraw/zinc/88/33/41/967883341.db2.gz ZPSVWAHVZXVTRF-YPMHNXCESA-N 2 1 233.359 1.828 20 10 BDCDMP Nc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205937767 967891683 /nfs/dbraw/zinc/89/16/83/967891683.db2.gz CNMCJJJHTHARGH-ZDUSSCGKSA-N 2 1 219.332 1.582 20 10 BDCDMP Nc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205937767 967891688 /nfs/dbraw/zinc/89/16/88/967891688.db2.gz CNMCJJJHTHARGH-ZDUSSCGKSA-N 2 1 219.332 1.582 20 10 BDCDMP Nc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205937764 967892278 /nfs/dbraw/zinc/89/22/78/967892278.db2.gz CNMCJJJHTHARGH-CYBMUJFWSA-N 2 1 219.332 1.582 20 10 BDCDMP Nc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205937764 967892279 /nfs/dbraw/zinc/89/22/79/967892279.db2.gz CNMCJJJHTHARGH-CYBMUJFWSA-N 2 1 219.332 1.582 20 10 BDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2O)CC[C@@H]1F ZINC001206154033 974315373 /nfs/dbraw/zinc/31/53/73/974315373.db2.gz GLRFEOSAXRILHI-NWDGAFQWSA-N 2 1 238.306 1.653 20 10 BDCDMP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(F)c1O ZINC001345105048 980550016 /nfs/dbraw/zinc/55/00/16/980550016.db2.gz OYZGCCCCXPDCJS-VIFPVBQESA-N 2 1 226.295 1.619 20 10 BDCDMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)c(F)cc1O ZINC001575962377 984147138 /nfs/dbraw/zinc/14/71/38/984147138.db2.gz QQPLOQBCXJLKPY-ZETCQYMHSA-N 2 1 230.258 1.497 20 10 BDCDMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(F)c1O ZINC001576380056 993287066 /nfs/dbraw/zinc/28/70/66/993287066.db2.gz GHZHYDPRQFBPFX-GHMZBOCLSA-N 2 1 238.306 1.747 20 10 BDCDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000071407038 384166371 /nfs/dbraw/zinc/16/63/71/384166371.db2.gz BSRSRLMRZPMEHZ-UHFFFAOYSA-N 2 1 234.343 1.884 20 10 BDCDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841028162 584025738 /nfs/dbraw/zinc/02/57/38/584025738.db2.gz BWWRFULMKPIYOZ-ZDUSSCGKSA-N 2 1 234.343 1.694 20 10 BDCDMP COc1cccc(O)c1C[NH2+]CC1([NH3+])CCC1 ZINC000841050038 584124865 /nfs/dbraw/zinc/12/48/65/584124865.db2.gz CYLIOFGKNGJXBS-UHFFFAOYSA-N 2 1 236.315 1.372 20 10 BDCDMP [NH3+][C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000904355461 584871381 /nfs/dbraw/zinc/87/13/81/584871381.db2.gz NYYSKDABVXZCNC-AWEZNQCLSA-N 2 1 246.354 1.839 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000843053090 585332312 /nfs/dbraw/zinc/33/23/12/585332312.db2.gz YMDUMSBVQDQNOW-WCQYABFASA-N 2 1 234.343 1.870 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056956 585335499 /nfs/dbraw/zinc/33/54/99/585335499.db2.gz DEEFFOSCOIUEPO-VXGBXAGGSA-N 2 1 234.343 1.870 20 10 BDCDMP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817894128 586833645 /nfs/dbraw/zinc/83/36/45/586833645.db2.gz BYCDORRBKJPBFS-KBPBESRZSA-N 2 1 233.359 1.722 20 10 BDCDMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1O ZINC000817951243 586847703 /nfs/dbraw/zinc/84/77/03/586847703.db2.gz CGLPMKZKSXVONN-DTWKUNHWSA-N 2 1 226.295 1.919 20 10 BDCDMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817962950 586852950 /nfs/dbraw/zinc/85/29/50/586852950.db2.gz PSQFSFXASMLSHY-BDAKNGLRSA-N 2 1 226.295 1.777 20 10 BDCDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(O)c1 ZINC000817970078 586855968 /nfs/dbraw/zinc/85/59/68/586855968.db2.gz KXZSUOZHJSOMTJ-VHSXEESVSA-N 2 1 208.305 1.698 20 10 BDCDMP COc1cccc(O)c1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000841051184 587940234 /nfs/dbraw/zinc/94/02/34/587940234.db2.gz VBDIBZMMQBKUPM-LLVKDONJSA-N 2 1 236.315 1.228 20 10 BDCDMP C[C@@H]1CCNC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841058454 587940469 /nfs/dbraw/zinc/94/04/69/587940469.db2.gz HEMWVDSLODJIKO-SKDRFNHKSA-N 2 1 238.306 1.619 20 10 BDCDMP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CC[NH2+]1 ZINC000841061164 587941343 /nfs/dbraw/zinc/94/13/43/587941343.db2.gz FRFTWNBXPGAIAV-GXSJLCMTSA-N 2 1 238.306 1.761 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000843045588 588075857 /nfs/dbraw/zinc/07/58/57/588075857.db2.gz VSQKIHXFMCFOST-UHFFFAOYSA-N 2 1 247.386 1.856 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000843045588 588075859 /nfs/dbraw/zinc/07/58/59/588075859.db2.gz VSQKIHXFMCFOST-UHFFFAOYSA-N 2 1 247.386 1.856 20 10 BDCDMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000843127137 588085109 /nfs/dbraw/zinc/08/51/09/588085109.db2.gz ZRQPHGCBKYBMQS-BXUZGUMPSA-N 2 1 233.359 1.399 20 10 BDCDMP CN(C)c1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000084934201 631455618 /nfs/dbraw/zinc/45/56/18/631455618.db2.gz WFXFYGOBKIKTSQ-UHFFFAOYSA-N 2 1 221.348 1.533 20 10 BDCDMP C[C@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1C[NH3+] ZINC000252219789 635640843 /nfs/dbraw/zinc/64/08/43/635640843.db2.gz YSGNHAYMMQYRNB-AAEUAGOBSA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@H]1CCC[N@@H+](Cc2ccccc2O)[C@H]1C[NH3+] ZINC000252219789 635640900 /nfs/dbraw/zinc/64/09/00/635640900.db2.gz YSGNHAYMMQYRNB-AAEUAGOBSA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000162082847 632872759 /nfs/dbraw/zinc/87/27/59/632872759.db2.gz KIPUAWUECVAZQO-JTQLQIEISA-N 2 1 207.321 1.189 20 10 BDCDMP Cc1cccc(C[N@@H+](C)CCC[NH3+])c1O ZINC000309416879 633040936 /nfs/dbraw/zinc/04/09/36/633040936.db2.gz JIKJWUJRHDTBFN-UHFFFAOYSA-N 2 1 208.305 1.481 20 10 BDCDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000070169760 642986761 /nfs/dbraw/zinc/98/67/61/642986761.db2.gz YVGDPDCQHZNYIB-LBPRGKRZSA-N 2 1 234.343 1.953 20 10 BDCDMP C[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000253189194 644944321 /nfs/dbraw/zinc/94/43/21/644944321.db2.gz KFVCFYCSMTYJDP-WCQYABFASA-N 2 1 234.343 1.809 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000381309955 710619917 /nfs/dbraw/zinc/61/99/17/710619917.db2.gz CSJMYALGJNEVFZ-JSGCOSHPSA-N 2 1 246.354 1.884 20 10 BDCDMP [NH3+]CCCC[N@H+]1CCc2cccc(O)c2C1 ZINC001236072565 979361506 /nfs/dbraw/zinc/36/15/06/979361506.db2.gz JSFHMCKAIIWFOB-UHFFFAOYSA-N 2 1 220.316 1.489 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@H]1C[NH3+] ZINC000708889965 960077792 /nfs/dbraw/zinc/07/77/92/960077792.db2.gz UIZYDWRGZZOAHS-GXSJLCMTSA-N 2 1 236.315 1.124 20 10 BDCDMP Cc1cc(C)c(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204675806 967133072 /nfs/dbraw/zinc/13/30/72/967133072.db2.gz YHUJTQOXODTERJ-UHFFFAOYSA-N 2 1 234.343 1.804 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204675806 967133077 /nfs/dbraw/zinc/13/30/77/967133077.db2.gz YHUJTQOXODTERJ-UHFFFAOYSA-N 2 1 234.343 1.804 20 10 BDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001205102647 967348807 /nfs/dbraw/zinc/34/88/07/967348807.db2.gz VDBFZVHWVZSELJ-GFCCVEGCSA-N 2 1 238.306 1.845 20 10 BDCDMP C[C@H]1C[N@H+](Cc2c(O)cccc2F)C[C@H]1C[NH3+] ZINC001205135951 967382024 /nfs/dbraw/zinc/38/20/24/967382024.db2.gz JFGFRRVBXMWWGB-VHSXEESVSA-N 2 1 238.306 1.558 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@H]1C[NH3+] ZINC001205135951 967382037 /nfs/dbraw/zinc/38/20/37/967382037.db2.gz JFGFRRVBXMWWGB-VHSXEESVSA-N 2 1 238.306 1.558 20 10 BDCDMP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1O ZINC000062747665 969841839 /nfs/dbraw/zinc/84/18/39/969841839.db2.gz YGKWSIMZICHLIR-SECBINFHSA-N 2 1 226.295 1.921 20 10 BDCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334774814 976645188 /nfs/dbraw/zinc/64/51/88/976645188.db2.gz OXZWRQCUCPYWFC-WCQYABFASA-N 2 1 233.359 1.828 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001335285333 976924955 /nfs/dbraw/zinc/92/49/55/976924955.db2.gz NPOJPRKLPHKIQG-GFCCVEGCSA-N 2 1 219.332 1.440 20 10 BDCDMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236247053 979467533 /nfs/dbraw/zinc/46/75/33/979467533.db2.gz NZDUGUNQPHROOB-GFCCVEGCSA-N 2 1 234.343 1.932 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236247053 979467538 /nfs/dbraw/zinc/46/75/38/979467538.db2.gz NZDUGUNQPHROOB-GFCCVEGCSA-N 2 1 234.343 1.932 20 10 BDCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)ccc1O ZINC001236867865 979770101 /nfs/dbraw/zinc/77/01/01/979770101.db2.gz CRTVOOYPPMJQMN-LBPRGKRZSA-N 2 1 222.332 1.870 20 10 BDCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)ccc1O ZINC001236867865 979770115 /nfs/dbraw/zinc/77/01/15/979770115.db2.gz CRTVOOYPPMJQMN-LBPRGKRZSA-N 2 1 222.332 1.870 20 10 BDCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246277515 987673328 /nfs/dbraw/zinc/67/33/28/987673328.db2.gz IFKCJOSMKCYPBX-GXSJLCMTSA-N 2 1 236.315 1.328 20 10 BDCDMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)C[NH2+]1 ZINC001246466933 987826658 /nfs/dbraw/zinc/82/66/58/987826658.db2.gz QVDMIOZEXSRKDE-BXUZGUMPSA-N 2 1 233.359 1.541 20 10 BDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285798 995002544 /nfs/dbraw/zinc/00/25/44/995002544.db2.gz MOFDQYJMZQUGHS-UKRRQHHQSA-N 2 1 245.370 1.795 20 10 BDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285798 995002553 /nfs/dbraw/zinc/00/25/53/995002553.db2.gz MOFDQYJMZQUGHS-UKRRQHHQSA-N 2 1 245.370 1.795 20 10 BDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285798 995002565 /nfs/dbraw/zinc/00/25/65/995002565.db2.gz MOFDQYJMZQUGHS-UKRRQHHQSA-N 2 1 245.370 1.795 20 10 BDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285798 995002573 /nfs/dbraw/zinc/00/25/73/995002573.db2.gz MOFDQYJMZQUGHS-UKRRQHHQSA-N 2 1 245.370 1.795 20 10 BDCDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000044527857 181460119 /nfs/dbraw/zinc/46/01/19/181460119.db2.gz XZMNGNPNTAKLTM-LLVKDONJSA-N 2 1 220.316 1.563 20 10 BDCDMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1O ZINC000902485238 584624682 /nfs/dbraw/zinc/62/46/82/584624682.db2.gz JSMCLYUZIVAPNM-QXEWZRGKSA-N 2 1 238.306 1.919 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1C[NH3+] ZINC000904411545 584879527 /nfs/dbraw/zinc/87/95/27/584879527.db2.gz MELHORFVXSZWOO-RYUDHWBXSA-N 2 1 234.343 1.809 20 10 BDCDMP COc1cccc(O)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770396044 585573775 /nfs/dbraw/zinc/57/37/75/585573775.db2.gz YEDGDTPMKQPWST-PHIMTYICSA-N 2 1 248.326 1.052 20 10 BDCDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970511 586858169 /nfs/dbraw/zinc/85/81/69/586858169.db2.gz YBJFFPQBBAMXQT-UWVGGRQHSA-N 2 1 208.305 1.698 20 10 BDCDMP CN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000841027484 587935953 /nfs/dbraw/zinc/93/59/53/587935953.db2.gz BYUAIVVLONPBQK-AWEZNQCLSA-N 2 1 233.359 1.580 20 10 BDCDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(F)ccc1O ZINC000841031764 587937199 /nfs/dbraw/zinc/93/71/99/587937199.db2.gz WQXUMVLMIUDZKZ-NSHDSACASA-N 2 1 226.295 1.604 20 10 BDCDMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000841062600 587942008 /nfs/dbraw/zinc/94/20/08/587942008.db2.gz AWKYRBZSGXDTNV-CABZTGNLSA-N 2 1 238.306 1.619 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CCC[NH3+] ZINC000843050690 588077058 /nfs/dbraw/zinc/07/70/58/588077058.db2.gz PMPDUCGBSWHIKR-UHFFFAOYSA-N 2 1 235.375 1.842 20 10 BDCDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1O ZINC000843058047 588077866 /nfs/dbraw/zinc/07/78/66/588077866.db2.gz NZRRFYRTVYDVOW-VHSXEESVSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1O ZINC000843058047 588077868 /nfs/dbraw/zinc/07/78/68/588077868.db2.gz NZRRFYRTVYDVOW-VHSXEESVSA-N 2 1 238.306 1.700 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843120443 588083911 /nfs/dbraw/zinc/08/39/11/588083911.db2.gz KRPNTNIKKMOGJX-OAHLLOKOSA-N 2 1 246.354 1.886 20 10 BDCDMP CN(C)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904451635 637417697 /nfs/dbraw/zinc/41/76/97/637417697.db2.gz XNUPPHIJRDORNB-UHFFFAOYSA-N 2 1 219.332 1.334 20 10 BDCDMP C[N@@H+](Cc1ccccc1O)CC(C)(C)C[NH3+] ZINC000086637516 644157839 /nfs/dbraw/zinc/15/78/39/644157839.db2.gz BZZLHBIRGDOAGQ-UHFFFAOYSA-N 2 1 222.332 1.809 20 10 BDCDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923281779 644313494 /nfs/dbraw/zinc/31/34/94/644313494.db2.gz PMUYARIXZLTDFP-AWEZNQCLSA-N 2 1 247.386 1.842 20 10 BDCDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1O ZINC000706710527 712152490 /nfs/dbraw/zinc/15/24/90/712152490.db2.gz LXFLQBAUPUTYHP-UHFFFAOYSA-N 2 1 238.331 1.060 20 10 BDCDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000723712724 711536104 /nfs/dbraw/zinc/53/61/04/711536104.db2.gz RNROPVYEDNSJPK-NSHDSACASA-N 2 1 220.316 1.563 20 10 BDCDMP COc1ccc(O)c(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000709340458 712220259 /nfs/dbraw/zinc/22/02/59/712220259.db2.gz CWDRURDNHYSXKS-UHFFFAOYSA-N 2 1 238.331 1.570 20 10 BDCDMP COc1ccc(O)c(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000709340458 712220261 /nfs/dbraw/zinc/22/02/61/712220261.db2.gz CWDRURDNHYSXKS-UHFFFAOYSA-N 2 1 238.331 1.570 20 10 BDCDMP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206065413 971149611 /nfs/dbraw/zinc/14/96/11/971149611.db2.gz VACNJNPFUAPNBW-ZYHUDNBSSA-N 2 1 220.316 1.480 20 10 BDCDMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206065413 971149619 /nfs/dbraw/zinc/14/96/19/971149619.db2.gz VACNJNPFUAPNBW-ZYHUDNBSSA-N 2 1 220.316 1.480 20 10 BDCDMP CN(C)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204789863 963572010 /nfs/dbraw/zinc/57/20/10/963572010.db2.gz DKXBHBMLGVYZRS-AWEZNQCLSA-N 2 1 249.358 1.381 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204789863 963572015 /nfs/dbraw/zinc/57/20/15/963572015.db2.gz DKXBHBMLGVYZRS-AWEZNQCLSA-N 2 1 249.358 1.381 20 10 BDCDMP Cc1cc(C)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204792652 963595508 /nfs/dbraw/zinc/59/55/08/963595508.db2.gz XUFJWKPEFJSGPI-CQSZACIVSA-N 2 1 234.343 1.932 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204792652 963595514 /nfs/dbraw/zinc/59/55/14/963595514.db2.gz XUFJWKPEFJSGPI-CQSZACIVSA-N 2 1 234.343 1.932 20 10 BDCDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2O)C1 ZINC001205807183 967829292 /nfs/dbraw/zinc/82/92/92/967829292.db2.gz YKTFJVSHSIQQKS-WCQYABFASA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2O)C1 ZINC001205807183 967829302 /nfs/dbraw/zinc/82/93/02/967829302.db2.gz YKTFJVSHSIQQKS-WCQYABFASA-N 2 1 234.343 1.951 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC001334754804 976625974 /nfs/dbraw/zinc/62/59/74/976625974.db2.gz RSCDCFAMMBWOFY-JSGCOSHPSA-N 2 1 231.343 1.582 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC001334754804 976625980 /nfs/dbraw/zinc/62/59/80/976625980.db2.gz RSCDCFAMMBWOFY-JSGCOSHPSA-N 2 1 231.343 1.582 20 10 BDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001335285586 976922745 /nfs/dbraw/zinc/92/27/45/976922745.db2.gz QEQFPBBKSBBCGL-GFCCVEGCSA-N 2 1 219.332 1.310 20 10 BDCDMP COc1cc(C)c(C[N@@H+](C)CCC[NH3+])c(O)c1 ZINC001579145184 985810539 /nfs/dbraw/zinc/81/05/39/985810539.db2.gz WIHHVQJYPRPFML-UHFFFAOYSA-N 2 1 238.331 1.490 20 10 BDCDMP [NH3+][C@H]1C[C@H](C[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001580427848 986844222 /nfs/dbraw/zinc/84/42/22/986844222.db2.gz VWWZAIXQQVIFMC-XWEPSHTISA-N 2 1 242.269 1.497 20 10 BDCDMP C[C@@H]1C[C@H]([N@H+]2CCc3cccc(O)c3C2)CC[NH2+]1 ZINC001246870594 988628874 /nfs/dbraw/zinc/62/88/74/988628874.db2.gz VXTAIAIMPCCBJC-DGCLKSJQSA-N 2 1 246.354 1.891 20 10 BDCDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N)cc1 ZINC001120268400 989622257 /nfs/dbraw/zinc/62/22/57/989622257.db2.gz DHIPQJVDIYXVOU-ZWNOBZJWSA-N 2 1 219.332 1.580 20 10 BDCDMP NC[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000379922019 993293919 /nfs/dbraw/zinc/29/39/19/993293919.db2.gz SDIPXPBFBKIUEK-GFCCVEGCSA-N 2 1 205.305 1.192 20 10 BDCDMP Nc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000379922019 993293939 /nfs/dbraw/zinc/29/39/39/993293939.db2.gz SDIPXPBFBKIUEK-GFCCVEGCSA-N 2 1 205.305 1.192 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000379922019 993293946 /nfs/dbraw/zinc/29/39/46/993293946.db2.gz SDIPXPBFBKIUEK-GFCCVEGCSA-N 2 1 205.305 1.192 20 10 BDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285806 994998834 /nfs/dbraw/zinc/99/88/34/994998834.db2.gz MOFDQYJMZQUGHS-ZFWWWQNUSA-N 2 1 245.370 1.795 20 10 BDCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285806 994998842 /nfs/dbraw/zinc/99/88/42/994998842.db2.gz MOFDQYJMZQUGHS-ZFWWWQNUSA-N 2 1 245.370 1.795 20 10 BDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285806 994998848 /nfs/dbraw/zinc/99/88/48/994998848.db2.gz MOFDQYJMZQUGHS-ZFWWWQNUSA-N 2 1 245.370 1.795 20 10 BDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285806 994998858 /nfs/dbraw/zinc/99/88/58/994998858.db2.gz MOFDQYJMZQUGHS-ZFWWWQNUSA-N 2 1 245.370 1.795 20 10 BDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285553 995002131 /nfs/dbraw/zinc/00/21/31/995002131.db2.gz MOFDQYJMZQUGHS-DZGCQCFKSA-N 2 1 245.370 1.795 20 10 BDCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285553 995002143 /nfs/dbraw/zinc/00/21/43/995002143.db2.gz MOFDQYJMZQUGHS-DZGCQCFKSA-N 2 1 245.370 1.795 20 10 BDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285553 995002155 /nfs/dbraw/zinc/00/21/55/995002155.db2.gz MOFDQYJMZQUGHS-DZGCQCFKSA-N 2 1 245.370 1.795 20 10 BDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285553 995002168 /nfs/dbraw/zinc/00/21/68/995002168.db2.gz MOFDQYJMZQUGHS-DZGCQCFKSA-N 2 1 245.370 1.795 20 10 BDCDMP Oc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176746 388621177 /nfs/dbraw/zinc/62/11/77/388621177.db2.gz LKBCUMBYYHKLLI-CYBMUJFWSA-N 2 1 232.327 1.766 20 10 BDCDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2O)CC1 ZINC000272100371 389029233 /nfs/dbraw/zinc/02/92/33/389029233.db2.gz VNJPAILKPUUOCU-UHFFFAOYSA-N 2 1 232.327 1.744 20 10 BDCDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000037643899 170017119 /nfs/dbraw/zinc/01/71/19/170017119.db2.gz VXZHJJGOGFXZEK-GFCCVEGCSA-N 2 1 234.343 1.824 20 10 BDCDMP Oc1cccc2c1[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000854226185 588780613 /nfs/dbraw/zinc/78/06/13/588780613.db2.gz DSOCYVCBVGALLL-WBFHCKIUSA-N 2 1 244.338 1.721 20 10 BDCDMP C[N@H+](Cc1ccccc1O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431457 584762042 /nfs/dbraw/zinc/76/20/42/584762042.db2.gz VHQZLSYUBRUTMO-YPMHNXCESA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](C)[NH3+] ZINC000904355999 584871189 /nfs/dbraw/zinc/87/11/89/584871189.db2.gz ZHTGWJFQAOBRSI-WDEREUQCSA-N 2 1 234.343 1.837 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000775747937 585683750 /nfs/dbraw/zinc/68/37/50/585683750.db2.gz PAXXTTJBRJZWOI-BETUJISGSA-N 2 1 232.327 1.352 20 10 BDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000817934444 586843113 /nfs/dbraw/zinc/84/31/13/586843113.db2.gz IQFRMASAHGLZHQ-LLVKDONJSA-N 2 1 221.348 1.752 20 10 BDCDMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000817953308 586848523 /nfs/dbraw/zinc/84/85/23/586848523.db2.gz ZTIDAOBFFIIORT-WDEREUQCSA-N 2 1 220.316 1.795 20 10 BDCDMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c(O)c1 ZINC000817970077 586856409 /nfs/dbraw/zinc/85/64/09/586856409.db2.gz KXZSUOZHJSOMTJ-UWVGGRQHSA-N 2 1 208.305 1.698 20 10 BDCDMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817974067 586860369 /nfs/dbraw/zinc/86/03/69/586860369.db2.gz XSCMLULMJMVESA-ZYHUDNBSSA-N 2 1 234.343 1.967 20 10 BDCDMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N(C)C)cc1 ZINC000817976518 586860770 /nfs/dbraw/zinc/86/07/70/586860770.db2.gz MWSLVCGSEZUDPW-BSLXNSKLSA-N 2 1 245.370 1.621 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000817979279 586862274 /nfs/dbraw/zinc/86/22/74/586862274.db2.gz JMLJGCGPIZNPGV-SCZZXKLOSA-N 2 1 226.295 1.919 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000841024116 587935656 /nfs/dbraw/zinc/93/56/56/587935656.db2.gz IKDDESNDCWEDCM-ZYHUDNBSSA-N 2 1 220.316 1.622 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000841024116 587935657 /nfs/dbraw/zinc/93/56/57/587935657.db2.gz IKDDESNDCWEDCM-ZYHUDNBSSA-N 2 1 220.316 1.622 20 10 BDCDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841028881 587935880 /nfs/dbraw/zinc/93/58/80/587935880.db2.gz JVHIRSOODRLMKL-AWEZNQCLSA-N 2 1 235.375 1.826 20 10 BDCDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1O ZINC000841029812 587936065 /nfs/dbraw/zinc/93/60/65/587936065.db2.gz SMTGYQLBBWKKKP-LBPRGKRZSA-N 2 1 222.332 1.999 20 10 BDCDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccccc1O ZINC000841029811 587936329 /nfs/dbraw/zinc/93/63/29/587936329.db2.gz SMTGYQLBBWKKKP-GFCCVEGCSA-N 2 1 222.332 1.999 20 10 BDCDMP Cc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000841027774 587936394 /nfs/dbraw/zinc/93/63/94/587936394.db2.gz FXVQMQJGRDOLAB-LBPRGKRZSA-N 2 1 220.316 1.528 20 10 BDCDMP Oc1cccc(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC000841027191 587936429 /nfs/dbraw/zinc/93/64/29/587936429.db2.gz ZITRBNIJOPKUNR-UHFFFAOYSA-N 2 1 240.734 1.887 20 10 BDCDMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000841062598 587942196 /nfs/dbraw/zinc/94/21/96/587942196.db2.gz AWKYRBZSGXDTNV-BXKDBHETSA-N 2 1 238.306 1.619 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000841070120 587942329 /nfs/dbraw/zinc/94/23/29/587942329.db2.gz LPCHJGXOVQAGKX-LBPRGKRZSA-N 2 1 222.332 1.831 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841070566 587942767 /nfs/dbraw/zinc/94/27/67/587942767.db2.gz QXPFVTKLYAQGEF-GFCCVEGCSA-N 2 1 220.316 1.448 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000841072238 587943852 /nfs/dbraw/zinc/94/38/52/587943852.db2.gz MGHCDRJXYYCUOW-ZDUSSCGKSA-N 2 1 235.375 1.888 20 10 BDCDMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1C ZINC000841081933 587944904 /nfs/dbraw/zinc/94/49/04/587944904.db2.gz VQUJJCGESNGCGK-GHMZBOCLSA-N 2 1 222.332 1.829 20 10 BDCDMP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000841085550 587945388 /nfs/dbraw/zinc/94/53/88/587945388.db2.gz GSUWNTIFNQKNRP-LBPRGKRZSA-N 2 1 220.316 1.622 20 10 BDCDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1O ZINC000841087650 587945898 /nfs/dbraw/zinc/94/58/98/587945898.db2.gz PGUYILTZGPVZMU-GFCCVEGCSA-N 2 1 222.332 1.855 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843048426 588076127 /nfs/dbraw/zinc/07/61/27/588076127.db2.gz SZCAGGJMVUEUPG-CYBMUJFWSA-N 2 1 247.386 1.842 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843058755 588077586 /nfs/dbraw/zinc/07/75/86/588077586.db2.gz XNTFKSGCMNVVJB-UWVGGRQHSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843058755 588077588 /nfs/dbraw/zinc/07/75/88/588077588.db2.gz XNTFKSGCMNVVJB-UWVGGRQHSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000126809660 590459688 /nfs/dbraw/zinc/45/96/88/590459688.db2.gz IZIWIZHNIOPASS-OCCSQVGLSA-N 2 1 247.386 1.922 20 10 BDCDMP C[NH+](C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000132202363 591693153 /nfs/dbraw/zinc/69/31/53/591693153.db2.gz SMYAROKPVLIKIX-UHFFFAOYSA-N 2 1 234.343 1.918 20 10 BDCDMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000133039893 591757654 /nfs/dbraw/zinc/75/76/54/591757654.db2.gz QGAWFIQZLPUHPP-CYBMUJFWSA-N 2 1 234.343 1.884 20 10 BDCDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000133039893 591757658 /nfs/dbraw/zinc/75/76/58/591757658.db2.gz QGAWFIQZLPUHPP-CYBMUJFWSA-N 2 1 234.343 1.884 20 10 BDCDMP C[N@@H+](Cc1cc(F)ccc1O)CC(C)(C)C[NH3+] ZINC000220325361 592302029 /nfs/dbraw/zinc/30/20/29/592302029.db2.gz UURGEKIFXNXOQN-UHFFFAOYSA-N 2 1 240.322 1.948 20 10 BDCDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(F)ccc1O ZINC000220334486 635304265 /nfs/dbraw/zinc/30/42/65/635304265.db2.gz FZIMEWAYARIGJQ-BXKDBHETSA-N 2 1 238.306 1.843 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+]CC1([NH3+])CC1 ZINC000904444835 637415098 /nfs/dbraw/zinc/41/50/98/637415098.db2.gz SRHNQRPZUIXGDB-UHFFFAOYSA-N 2 1 233.359 1.642 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000070955769 642448892 /nfs/dbraw/zinc/44/88/92/642448892.db2.gz XOKGLGDBICQCPZ-UHFFFAOYSA-N 2 1 220.316 1.496 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000070955769 642448895 /nfs/dbraw/zinc/44/88/95/642448895.db2.gz XOKGLGDBICQCPZ-UHFFFAOYSA-N 2 1 220.316 1.496 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000251830937 644825502 /nfs/dbraw/zinc/82/55/02/644825502.db2.gz PNNFQMRBBZTXKA-ZYHUDNBSSA-N 2 1 220.316 1.561 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000220341196 645890112 /nfs/dbraw/zinc/89/01/12/645890112.db2.gz VTFCCNWUMBNNPC-ZJUUUORDSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1O ZINC000220338220 645890184 /nfs/dbraw/zinc/89/01/84/645890184.db2.gz XHYBWYSVKBHVCD-NXEZZACHSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000380671495 712902417 /nfs/dbraw/zinc/90/24/17/712902417.db2.gz BKHCCEXHBXNQMM-MNOVXSKESA-N 2 1 221.348 1.578 20 10 BDCDMP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2O)C1 ZINC000405845397 959523997 /nfs/dbraw/zinc/52/39/97/959523997.db2.gz JVAWYCIWRIQFKS-LBPRGKRZSA-N 2 1 206.289 1.315 20 10 BDCDMP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2O)C1 ZINC000405845397 959524012 /nfs/dbraw/zinc/52/40/12/959524012.db2.gz JVAWYCIWRIQFKS-LBPRGKRZSA-N 2 1 206.289 1.315 20 10 BDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001205095455 965745283 /nfs/dbraw/zinc/74/52/83/965745283.db2.gz XRZGJWAFGASEOL-NSHDSACASA-N 2 1 236.315 1.411 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236252713 966320654 /nfs/dbraw/zinc/32/06/54/966320654.db2.gz PBXCQOKXOBKUPF-LLVKDONJSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236252713 966320671 /nfs/dbraw/zinc/32/06/71/966320671.db2.gz PBXCQOKXOBKUPF-LLVKDONJSA-N 2 1 220.316 1.624 20 10 BDCDMP Oc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380666 966652708 /nfs/dbraw/zinc/65/27/08/966652708.db2.gz GQKWOQCNIISYIV-JSGCOSHPSA-N 2 1 246.354 1.966 20 10 BDCDMP Nc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206196911 975127656 /nfs/dbraw/zinc/12/76/56/975127656.db2.gz DZWBEFBNWIVIRZ-STQMWFEESA-N 2 1 237.322 1.530 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206196911 975127661 /nfs/dbraw/zinc/12/76/61/975127661.db2.gz DZWBEFBNWIVIRZ-STQMWFEESA-N 2 1 237.322 1.530 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001336284515 977614912 /nfs/dbraw/zinc/61/49/12/977614912.db2.gz AMHMQJAMZWIEJG-ZYHUDNBSSA-N 2 1 219.332 1.295 20 10 BDCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001336286197 977615215 /nfs/dbraw/zinc/61/52/15/977615215.db2.gz OLRAFEYBVLLPBU-OCCSQVGLSA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988511 979268336 /nfs/dbraw/zinc/26/83/36/979268336.db2.gz GQCJOZMCNVJSAL-JSGCOSHPSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988511 979268341 /nfs/dbraw/zinc/26/83/41/979268341.db2.gz GQCJOZMCNVJSAL-JSGCOSHPSA-N 2 1 232.327 1.624 20 10 BDCDMP Oc1cccc2c1C[N@H+](C1CC[NH2+]CC1)CC2 ZINC001246866784 988619544 /nfs/dbraw/zinc/61/95/44/988619544.db2.gz DSGVJDFUQINREC-UHFFFAOYSA-N 2 1 232.327 1.502 20 10 BDCDMP CC1(C)[C@H]([NH2+]Cc2cccc(F)c2O)C[C@@H]1[NH3+] ZINC001576380059 993286253 /nfs/dbraw/zinc/28/62/53/993286253.db2.gz GHZHYDPRQFBPFX-WDEREUQCSA-N 2 1 238.306 1.747 20 10 BDCDMP C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000034823180 132337052 /nfs/dbraw/zinc/33/70/52/132337052.db2.gz KIJMWZVYXHNXQF-UHFFFAOYSA-N 2 1 237.322 1.297 20 10 BDCDMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000854226688 588780537 /nfs/dbraw/zinc/78/05/37/588780537.db2.gz JWKPXEGQQAGDSS-IFQILLTASA-N 2 1 232.327 1.795 20 10 BDCDMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC000857226541 588896133 /nfs/dbraw/zinc/89/61/33/588896133.db2.gz QUCPGBJOYHLZPH-JSGCOSHPSA-N 2 1 232.327 1.705 20 10 BDCDMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355994 584871508 /nfs/dbraw/zinc/87/15/08/584871508.db2.gz ZHTGWJFQAOBRSI-GHMZBOCLSA-N 2 1 234.343 1.837 20 10 BDCDMP Cc1cc(C)c([C@H](C)[NH2+]CC[NH3+])c(O)c1 ZINC000817937657 586844405 /nfs/dbraw/zinc/84/44/05/586844405.db2.gz ZAFJEHXLMFBCQX-JTQLQIEISA-N 2 1 208.305 1.618 20 10 BDCDMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1C ZINC000841027387 587935932 /nfs/dbraw/zinc/93/59/32/587935932.db2.gz AOKURCHYOSPRMF-ZDUSSCGKSA-N 2 1 234.343 1.831 20 10 BDCDMP Cc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1O ZINC000841028772 587936345 /nfs/dbraw/zinc/93/63/45/587936345.db2.gz RLYPBXPXTKBPFB-LBPRGKRZSA-N 2 1 220.316 1.528 20 10 BDCDMP COc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1O ZINC000841028677 587936413 /nfs/dbraw/zinc/93/64/13/587936413.db2.gz QNWADTKVLICLIG-LLVKDONJSA-N 2 1 236.315 1.228 20 10 BDCDMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1C ZINC000841081935 587945059 /nfs/dbraw/zinc/94/50/59/587945059.db2.gz VQUJJCGESNGCGK-QWRGUYRKSA-N 2 1 222.332 1.829 20 10 BDCDMP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000841084533 587945474 /nfs/dbraw/zinc/94/54/74/587945474.db2.gz KHGCNHVDCVFCOF-MWLCHTKSSA-N 2 1 238.306 1.748 20 10 BDCDMP Cc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1O ZINC000841090189 587945529 /nfs/dbraw/zinc/94/55/29/587945529.db2.gz MJUXPBLSWGRRME-ZDUSSCGKSA-N 2 1 234.343 1.932 20 10 BDCDMP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000841084531 587945839 /nfs/dbraw/zinc/94/58/39/587945839.db2.gz KHGCNHVDCVFCOF-GXSJLCMTSA-N 2 1 238.306 1.748 20 10 BDCDMP Cc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1O ZINC000843047607 588075701 /nfs/dbraw/zinc/07/57/01/588075701.db2.gz PVYJYOUQNXCOMB-UHFFFAOYSA-N 2 1 220.316 1.496 20 10 BDCDMP Cc1cccc(C[N@H+]2CCC[NH2+]CC2)c1O ZINC000843047607 588075702 /nfs/dbraw/zinc/07/57/02/588075702.db2.gz PVYJYOUQNXCOMB-UHFFFAOYSA-N 2 1 220.316 1.496 20 10 BDCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000843048552 588077100 /nfs/dbraw/zinc/07/71/00/588077100.db2.gz GZTFFYQYJPKGMJ-GFCCVEGCSA-N 2 1 234.343 1.790 20 10 BDCDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)cc1O ZINC000876991936 590266314 /nfs/dbraw/zinc/26/63/14/590266314.db2.gz WPNSHORDEDJFHR-UHFFFAOYSA-N 2 1 245.326 1.995 20 10 BDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219964164 592269298 /nfs/dbraw/zinc/26/92/98/592269298.db2.gz VKKMXWZKILFJTH-SNVBAGLBSA-N 2 1 238.306 1.573 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000310808021 632996039 /nfs/dbraw/zinc/99/60/39/632996039.db2.gz AJKSTMUXXCREEQ-HNNXBMFYSA-N 2 1 246.354 1.886 20 10 BDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000070171412 642986537 /nfs/dbraw/zinc/98/65/37/642986537.db2.gz GAFVFCMGSBPYQS-VXGBXAGGSA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000070171411 642987258 /nfs/dbraw/zinc/98/72/58/642987258.db2.gz GAFVFCMGSBPYQS-NWDGAFQWSA-N 2 1 234.343 1.951 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000071409464 643141272 /nfs/dbraw/zinc/14/12/72/643141272.db2.gz FUISIVHWNWOGCB-GFCCVEGCSA-N 2 1 234.343 1.871 20 10 BDCDMP C[NH2+]CCC[NH2+]Cc1cccc(F)c1O ZINC000083347007 643438573 /nfs/dbraw/zinc/43/85/73/643438573.db2.gz HVHOETYGNPKCKW-UHFFFAOYSA-N 2 1 212.268 1.230 20 10 BDCDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000843129576 645267977 /nfs/dbraw/zinc/26/79/77/645267977.db2.gz PXIDOIYLXMHSMR-BDAKNGLRSA-N 2 1 226.295 1.747 20 10 BDCDMP Oc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282269 711932113 /nfs/dbraw/zinc/93/21/13/711932113.db2.gz DETUCKWDDYMODP-TXEJJXNPSA-N 2 1 218.300 1.043 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222147966 972393330 /nfs/dbraw/zinc/39/33/30/972393330.db2.gz GGVASMSWZOWXRK-OAHLLOKOSA-N 2 1 245.370 1.844 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222147965 972394070 /nfs/dbraw/zinc/39/40/70/972394070.db2.gz GGVASMSWZOWXRK-HNNXBMFYSA-N 2 1 245.370 1.844 20 10 BDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)CC1 ZINC001205103110 965808209 /nfs/dbraw/zinc/80/82/09/965808209.db2.gz ZGRDQBAAJYVYSE-JTQLQIEISA-N 2 1 238.306 1.845 20 10 BDCDMP [NH3+][C@H]1CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001205103110 965808219 /nfs/dbraw/zinc/80/82/19/965808219.db2.gz ZGRDQBAAJYVYSE-JTQLQIEISA-N 2 1 238.306 1.845 20 10 BDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001205103110 965808225 /nfs/dbraw/zinc/80/82/25/965808225.db2.gz ZGRDQBAAJYVYSE-JTQLQIEISA-N 2 1 238.306 1.845 20 10 BDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)CC1 ZINC001205103111 965809726 /nfs/dbraw/zinc/80/97/26/965809726.db2.gz ZGRDQBAAJYVYSE-SNVBAGLBSA-N 2 1 238.306 1.845 20 10 BDCDMP [NH3+][C@@H]1CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001205103111 965809734 /nfs/dbraw/zinc/80/97/34/965809734.db2.gz ZGRDQBAAJYVYSE-SNVBAGLBSA-N 2 1 238.306 1.845 20 10 BDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001205103111 965809740 /nfs/dbraw/zinc/80/97/40/965809740.db2.gz ZGRDQBAAJYVYSE-SNVBAGLBSA-N 2 1 238.306 1.845 20 10 BDCDMP CN(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204675141 967131285 /nfs/dbraw/zinc/13/12/85/967131285.db2.gz IGTUVXPXZFQUGV-UHFFFAOYSA-N 2 1 249.358 1.254 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204675141 967131292 /nfs/dbraw/zinc/13/12/92/967131292.db2.gz IGTUVXPXZFQUGV-UHFFFAOYSA-N 2 1 249.358 1.254 20 10 BDCDMP C[NH2+]C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001335285568 976922718 /nfs/dbraw/zinc/92/27/18/976922718.db2.gz PRUWPAPCAKPYSF-UHFFFAOYSA-N 2 1 219.332 1.453 20 10 BDCDMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001235977267 979238857 /nfs/dbraw/zinc/23/88/57/979238857.db2.gz FYUAGQBMNBEJSQ-AAEUAGOBSA-N 2 1 218.300 1.315 20 10 BDCDMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001235977267 979238867 /nfs/dbraw/zinc/23/88/67/979238867.db2.gz FYUAGQBMNBEJSQ-AAEUAGOBSA-N 2 1 218.300 1.315 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992902 979276957 /nfs/dbraw/zinc/27/69/57/979276957.db2.gz SESDVYCUEGARAY-SWLSCSKDSA-N 2 1 246.354 1.932 20 10 BDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000040592062 985149855 /nfs/dbraw/zinc/14/98/55/985149855.db2.gz AGPZNXNIQVDWLB-LBPRGKRZSA-N 2 1 234.343 1.824 20 10 BDCDMP C[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)cc1O ZINC001579480280 986001116 /nfs/dbraw/zinc/00/11/16/986001116.db2.gz ZZOFJEDUYQPPDK-QMMMGPOBSA-N 2 1 228.723 1.873 20 10 BDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334753482 994629553 /nfs/dbraw/zinc/62/95/53/994629553.db2.gz FFHYEKMCJBSBQH-ZYHUDNBSSA-N 2 1 219.332 1.438 20 10 BDCDMP Oc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649358 183303207 /nfs/dbraw/zinc/30/32/07/183303207.db2.gz CCJQMMIYKDCWTQ-LBPRGKRZSA-N 2 1 246.354 1.966 20 10 BDCDMP C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000162047135 387299842 /nfs/dbraw/zinc/29/98/42/387299842.db2.gz YDEKOGOSGFVSJZ-VIFPVBQESA-N 2 1 206.289 1.058 20 10 BDCDMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1O ZINC000873253028 584128342 /nfs/dbraw/zinc/12/83/42/584128342.db2.gz XVIWMGVYNDIWFG-KKZNHRDASA-N 2 1 238.306 1.919 20 10 BDCDMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1O ZINC000902485237 584624641 /nfs/dbraw/zinc/62/46/41/584624641.db2.gz JSMCLYUZIVAPNM-FXPVBKGRSA-N 2 1 238.306 1.919 20 10 BDCDMP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000843047855 585331298 /nfs/dbraw/zinc/33/12/98/585331298.db2.gz YXDQSABYJFGVLZ-LBPRGKRZSA-N 2 1 234.343 1.871 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000843053080 585332345 /nfs/dbraw/zinc/33/23/45/585332345.db2.gz YMDUMSBVQDQNOW-AAEUAGOBSA-N 2 1 234.343 1.870 20 10 BDCDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccccc1O ZINC000841037603 587937579 /nfs/dbraw/zinc/93/75/79/587937579.db2.gz BBKKJXNLUBQRAL-LBPRGKRZSA-N 2 1 222.332 1.855 20 10 BDCDMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1C ZINC000841050874 587939688 /nfs/dbraw/zinc/93/96/88/587939688.db2.gz JIIZOSQUCZJNPU-UHFFFAOYSA-N 2 1 234.343 1.975 20 10 BDCDMP C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841059613 587940399 /nfs/dbraw/zinc/94/03/99/587940399.db2.gz IGXYQTMGCDUSSK-ZCFIWIBFSA-N 2 1 232.686 1.622 20 10 BDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1O ZINC000843058045 588077635 /nfs/dbraw/zinc/07/76/35/588077635.db2.gz NZRRFYRTVYDVOW-NXEZZACHSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1O ZINC000843058045 588077636 /nfs/dbraw/zinc/07/76/36/588077636.db2.gz NZRRFYRTVYDVOW-NXEZZACHSA-N 2 1 238.306 1.700 20 10 BDCDMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000843055206 588078025 /nfs/dbraw/zinc/07/80/25/588078025.db2.gz GTINOONIZKBDSM-CYBMUJFWSA-N 2 1 234.343 1.884 20 10 BDCDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000843055206 588078027 /nfs/dbraw/zinc/07/80/27/588078027.db2.gz GTINOONIZKBDSM-CYBMUJFWSA-N 2 1 234.343 1.884 20 10 BDCDMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000843127148 588085286 /nfs/dbraw/zinc/08/52/86/588085286.db2.gz ZRQPHGCBKYBMQS-SMDDNHRTSA-N 2 1 233.359 1.399 20 10 BDCDMP Oc1ccccc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229690 590002365 /nfs/dbraw/zinc/00/23/65/590002365.db2.gz DVJZGEWFALIQDO-KBPBESRZSA-N 2 1 232.327 1.766 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000300050388 592501628 /nfs/dbraw/zinc/50/16/28/592501628.db2.gz ZKHSCGZQBRARRE-ZYHUDNBSSA-N 2 1 220.316 1.480 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000300050388 592501631 /nfs/dbraw/zinc/50/16/31/592501631.db2.gz ZKHSCGZQBRARRE-ZYHUDNBSSA-N 2 1 220.316 1.480 20 10 BDCDMP C[N@H+](Cc1ccccc1O)CC(C)(C)[NH3+] ZINC000309394707 632023527 /nfs/dbraw/zinc/02/35/27/632023527.db2.gz GIWMKTNRQQJAFH-UHFFFAOYSA-N 2 1 208.305 1.561 20 10 BDCDMP C[N@@H+](Cc1ccccc1O)CC(C)(C)[NH3+] ZINC000309394707 632023535 /nfs/dbraw/zinc/02/35/35/632023535.db2.gz GIWMKTNRQQJAFH-UHFFFAOYSA-N 2 1 208.305 1.561 20 10 BDCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000259024258 635234330 /nfs/dbraw/zinc/23/43/30/635234330.db2.gz OGXBHZJNOYARLE-CHWSQXEVSA-N 2 1 232.327 1.591 20 10 BDCDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000906518308 638188269 /nfs/dbraw/zinc/18/82/69/638188269.db2.gz VQMUPZAJESZTTH-KYZUINATSA-N 2 1 210.252 1.111 20 10 BDCDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1O ZINC000168845093 640829128 /nfs/dbraw/zinc/82/91/28/640829128.db2.gz LCYJMLUNZJSYGT-JQWIXIFHSA-N 2 1 220.316 1.704 20 10 BDCDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000843129581 645267750 /nfs/dbraw/zinc/26/77/50/645267750.db2.gz PXIDOIYLXMHSMR-RKDXNWHRSA-N 2 1 226.295 1.747 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205202350 967424842 /nfs/dbraw/zinc/42/48/42/967424842.db2.gz RNKJADZOPAPGRV-ZYHUDNBSSA-N 2 1 220.316 1.622 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205202350 967424853 /nfs/dbraw/zinc/42/48/53/967424853.db2.gz RNKJADZOPAPGRV-ZYHUDNBSSA-N 2 1 220.316 1.622 20 10 BDCDMP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2O)C1 ZINC000405845391 959528029 /nfs/dbraw/zinc/52/80/29/959528029.db2.gz JVAWYCIWRIQFKS-GFCCVEGCSA-N 2 1 206.289 1.315 20 10 BDCDMP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2O)C1 ZINC000405845391 959528036 /nfs/dbraw/zinc/52/80/36/959528036.db2.gz JVAWYCIWRIQFKS-GFCCVEGCSA-N 2 1 206.289 1.315 20 10 BDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001205095249 967341314 /nfs/dbraw/zinc/34/13/14/967341314.db2.gz WFADTZOIQVSNPN-LBPRGKRZSA-N 2 1 220.316 1.705 20 10 BDCDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988513 979265479 /nfs/dbraw/zinc/26/54/79/979265479.db2.gz GQCJOZMCNVJSAL-TZMCWYRMSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988513 979265490 /nfs/dbraw/zinc/26/54/90/979265490.db2.gz GQCJOZMCNVJSAL-TZMCWYRMSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992898 979278647 /nfs/dbraw/zinc/27/86/47/979278647.db2.gz SESDVYCUEGARAY-DOMZBBRYSA-N 2 1 246.354 1.932 20 10 BDCDMP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(F)c1O ZINC001345105047 980551337 /nfs/dbraw/zinc/55/13/37/980551337.db2.gz OYZGCCCCXPDCJS-SECBINFHSA-N 2 1 226.295 1.619 20 10 BDCDMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001580423378 986841747 /nfs/dbraw/zinc/84/17/47/986841747.db2.gz YHWPWJPLVNNTFY-AOOOYVTPSA-N 2 1 226.707 1.625 20 10 BDCDMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC001576380057 993284085 /nfs/dbraw/zinc/28/40/85/993284085.db2.gz GHZHYDPRQFBPFX-MNOVXSKESA-N 2 1 238.306 1.747 20 10 BDCDMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC001576380058 993287651 /nfs/dbraw/zinc/28/76/51/993287651.db2.gz GHZHYDPRQFBPFX-QWRGUYRKSA-N 2 1 238.306 1.747 20 10 BDCDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000037643900 170008028 /nfs/dbraw/zinc/00/80/28/170008028.db2.gz VXZHJJGOGFXZEK-LBPRGKRZSA-N 2 1 234.343 1.824 20 10 BDCDMP C[N@H+](Cc1ccccc1O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311861 584863020 /nfs/dbraw/zinc/86/30/20/584863020.db2.gz JHPQSADQJLYSSB-KLPPZKSPSA-N 2 1 220.316 1.561 20 10 BDCDMP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420393 584882196 /nfs/dbraw/zinc/88/21/96/584882196.db2.gz NDBKGGROKPLOQT-GXTWGEPZSA-N 2 1 246.354 1.742 20 10 BDCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1O ZINC000817959434 586851411 /nfs/dbraw/zinc/85/14/11/586851411.db2.gz FYNNPADIMNHZSS-BXKDBHETSA-N 2 1 220.316 1.780 20 10 BDCDMP Cc1cc(O)c(C[NH2+][C@H](C[NH3+])C2CC2)cc1C ZINC000841027657 587936303 /nfs/dbraw/zinc/93/63/03/587936303.db2.gz DTYZWRVHVPQZRY-CYBMUJFWSA-N 2 1 234.343 1.836 20 10 BDCDMP COc1cccc(O)c1C[NH2+]CC(C)(C)[NH3+] ZINC000841031708 587937050 /nfs/dbraw/zinc/93/70/50/587937050.db2.gz ZJAAFBWGMUCVJV-UHFFFAOYSA-N 2 1 224.304 1.228 20 10 BDCDMP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841052275 587939792 /nfs/dbraw/zinc/93/97/92/587939792.db2.gz SQRXWZDGQZUXDI-QMMMGPOBSA-N 2 1 212.268 1.358 20 10 BDCDMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000841062604 587941432 /nfs/dbraw/zinc/94/14/32/587941432.db2.gz AWKYRBZSGXDTNV-SKDRFNHKSA-N 2 1 238.306 1.619 20 10 BDCDMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CC[NH2+]1 ZINC000841061167 587941983 /nfs/dbraw/zinc/94/19/83/587941983.db2.gz FRFTWNBXPGAIAV-ONGXEEELSA-N 2 1 238.306 1.761 20 10 BDCDMP Cc1ccc(O)c(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000843046444 588075668 /nfs/dbraw/zinc/07/56/68/588075668.db2.gz WFIXMXGFNUPYPJ-UHFFFAOYSA-N 2 1 234.343 1.884 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843057262 588077454 /nfs/dbraw/zinc/07/74/54/588077454.db2.gz HQPKZQKXOPMRLL-RYUDHWBXSA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843058757 588078205 /nfs/dbraw/zinc/07/82/05/588078205.db2.gz XNTFKSGCMNVVJB-ZJUUUORDSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843058757 588078208 /nfs/dbraw/zinc/07/82/08/588078208.db2.gz XNTFKSGCMNVVJB-ZJUUUORDSA-N 2 1 238.306 1.700 20 10 BDCDMP C[C@H]([NH3+])CN(C)Cc1cccc(Cl)c1O ZINC000863651324 589307013 /nfs/dbraw/zinc/30/70/13/589307013.db2.gz GMVTWGXHUMMTLW-QMMMGPOBSA-N 2 1 228.723 1.825 20 10 BDCDMP Cc1cccc(O)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000877483071 590337811 /nfs/dbraw/zinc/33/78/11/590337811.db2.gz JHXZVOGKTXBESV-BETUJISGSA-N 2 1 246.354 1.694 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000877483071 590337813 /nfs/dbraw/zinc/33/78/13/590337813.db2.gz JHXZVOGKTXBESV-BETUJISGSA-N 2 1 246.354 1.694 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000877483071 590337816 /nfs/dbraw/zinc/33/78/16/590337816.db2.gz JHXZVOGKTXBESV-BETUJISGSA-N 2 1 246.354 1.694 20 10 BDCDMP C[NH2+]C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000142264709 636111322 /nfs/dbraw/zinc/11/13/22/636111322.db2.gz RFCAZRKQWQBERH-UHFFFAOYSA-N 2 1 247.386 1.936 20 10 BDCDMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925691694 634320700 /nfs/dbraw/zinc/32/07/00/634320700.db2.gz JTSGSAVAYOCCAL-CYBMUJFWSA-N 2 1 233.359 1.541 20 10 BDCDMP [NH3+]C1CC([NH2+]Cc2cccc(F)c2O)C1 ZINC000906510760 638184730 /nfs/dbraw/zinc/18/47/30/638184730.db2.gz VQMUPZAJESZTTH-UHFFFAOYSA-N 2 1 210.252 1.111 20 10 BDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527754 640402024 /nfs/dbraw/zinc/40/20/24/640402024.db2.gz MBRGPNPEIUXUBT-CQSZACIVSA-N 2 1 247.386 1.923 20 10 BDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000070798650 643070634 /nfs/dbraw/zinc/07/06/34/643070634.db2.gz KONNOAONTYZBHQ-NSHDSACASA-N 2 1 220.316 1.434 20 10 BDCDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000050245125 643657738 /nfs/dbraw/zinc/65/77/38/643657738.db2.gz SQZWEWHZIIVYDR-VIFPVBQESA-N 2 1 240.734 1.826 20 10 BDCDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000086884215 644473385 /nfs/dbraw/zinc/47/33/85/644473385.db2.gz PNNFQMRBBZTXKA-PWSUYJOCSA-N 2 1 220.316 1.561 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000708885218 712202515 /nfs/dbraw/zinc/20/25/15/712202515.db2.gz WSDXCFFCTGXXNY-WCQYABFASA-N 2 1 234.343 1.727 20 10 BDCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cccc1O ZINC001236885265 966608278 /nfs/dbraw/zinc/60/82/78/966608278.db2.gz YSMBOAHFOWPDEZ-NSHDSACASA-N 2 1 222.332 1.870 20 10 BDCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cccc1O ZINC001236885265 966608284 /nfs/dbraw/zinc/60/82/84/966608284.db2.gz YSMBOAHFOWPDEZ-NSHDSACASA-N 2 1 222.332 1.870 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001336287052 977618654 /nfs/dbraw/zinc/61/86/54/977618654.db2.gz WHFJEMSSIGDEKV-CQSZACIVSA-N 2 1 231.343 1.454 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001336287050 977619347 /nfs/dbraw/zinc/61/93/47/977619347.db2.gz WHFJEMSSIGDEKV-AWEZNQCLSA-N 2 1 231.343 1.454 20 10 BDCDMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990654 979273424 /nfs/dbraw/zinc/27/34/24/979273424.db2.gz NFAVIPNKYNXNJD-OCCSQVGLSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990654 979273436 /nfs/dbraw/zinc/27/34/36/979273436.db2.gz NFAVIPNKYNXNJD-OCCSQVGLSA-N 2 1 232.327 1.624 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992904 979279578 /nfs/dbraw/zinc/27/95/78/979279578.db2.gz SESDVYCUEGARAY-WFASDCNBSA-N 2 1 246.354 1.932 20 10 BDCDMP C[N@@H+](CCCC[NH3+])Cc1ccccc1O ZINC001236043221 979337586 /nfs/dbraw/zinc/33/75/86/979337586.db2.gz VVGRHPMQRLRWHP-UHFFFAOYSA-N 2 1 208.305 1.563 20 10 BDCDMP CC[NH+]1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000038097903 343370860 /nfs/dbraw/zinc/37/08/60/343370860.db2.gz PJBMMFXMSINBFE-UHFFFAOYSA-N 2 1 234.343 1.966 20 10 BDCDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000044527858 385308935 /nfs/dbraw/zinc/30/89/35/385308935.db2.gz XZMNGNPNTAKLTM-NSHDSACASA-N 2 1 220.316 1.563 20 10 BDCDMP C[C@H](C[NH3+])C[NH2+]Cc1cccc(F)c1O ZINC000841047942 584124512 /nfs/dbraw/zinc/12/45/12/584124512.db2.gz FEHLEGZDIDGLPT-MRVPVSSYSA-N 2 1 212.268 1.216 20 10 BDCDMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000841058273 584125964 /nfs/dbraw/zinc/12/59/64/584125964.db2.gz RJWQTQKSDMQWMA-WDEREUQCSA-N 2 1 238.306 1.891 20 10 BDCDMP Cc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000904405398 584878440 /nfs/dbraw/zinc/87/84/40/584878440.db2.gz HBWLQDNSLUPFDQ-GFCCVEGCSA-N 2 1 234.343 1.871 20 10 BDCDMP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000904405450 584878618 /nfs/dbraw/zinc/87/86/18/584878618.db2.gz JANPNSPCACDTTR-SNVBAGLBSA-N 2 1 238.306 1.702 20 10 BDCDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000904405450 584878619 /nfs/dbraw/zinc/87/86/19/584878619.db2.gz JANPNSPCACDTTR-SNVBAGLBSA-N 2 1 238.306 1.702 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1C[NH3+] ZINC000904411544 584879915 /nfs/dbraw/zinc/87/99/15/584879915.db2.gz MELHORFVXSZWOO-NWDGAFQWSA-N 2 1 234.343 1.809 20 10 BDCDMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817966088 584992721 /nfs/dbraw/zinc/99/27/21/584992721.db2.gz GFAGOWMBBNIUMJ-PSASIEDQSA-N 2 1 206.289 1.316 20 10 BDCDMP Cc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843056955 585335488 /nfs/dbraw/zinc/33/54/88/585335488.db2.gz DEEFFOSCOIUEPO-RYUDHWBXSA-N 2 1 234.343 1.870 20 10 BDCDMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817934970 586843519 /nfs/dbraw/zinc/84/35/19/586843519.db2.gz DEGQFFIJEMJYHE-VIFPVBQESA-N 2 1 238.306 1.934 20 10 BDCDMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817941355 586844906 /nfs/dbraw/zinc/84/49/06/586844906.db2.gz UABWZIBTKAQUIS-VIFPVBQESA-N 2 1 226.295 1.791 20 10 BDCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000817953600 586848902 /nfs/dbraw/zinc/84/89/02/586848902.db2.gz OXXXQNLHKJOAEM-NEPJUHHUSA-N 2 1 232.327 1.721 20 10 BDCDMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1O ZINC000817964945 586853680 /nfs/dbraw/zinc/85/36/80/586853680.db2.gz KBSKADQNZIZHQQ-LBPRGKRZSA-N 2 1 238.306 1.791 20 10 BDCDMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817966842 586855000 /nfs/dbraw/zinc/85/50/00/586855000.db2.gz WXTMJRLROFBMPS-MNOVXSKESA-N 2 1 221.348 1.750 20 10 BDCDMP C[C@@H](C[NH3+])[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841067476 587942616 /nfs/dbraw/zinc/94/26/16/587942616.db2.gz ZLKRYKFIDBVGJG-ITKZLYELSA-N 2 1 233.359 1.703 20 10 BDCDMP CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841078480 587945021 /nfs/dbraw/zinc/94/50/21/587945021.db2.gz RZPXWEUKXZMCLA-WDNDVIMCSA-N 2 1 231.343 1.060 20 10 BDCDMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1C ZINC000841081934 587945087 /nfs/dbraw/zinc/94/50/87/587945087.db2.gz VQUJJCGESNGCGK-MNOVXSKESA-N 2 1 222.332 1.829 20 10 BDCDMP Cc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1O ZINC000841090187 587945550 /nfs/dbraw/zinc/94/55/50/587945550.db2.gz MJUXPBLSWGRRME-CYBMUJFWSA-N 2 1 234.343 1.932 20 10 BDCDMP Cc1cc(O)c(C[N@@H+]2CCC[NH2+]CC2)cc1C ZINC000843047754 588076284 /nfs/dbraw/zinc/07/62/84/588076284.db2.gz ZSIPRUMPPZXQII-UHFFFAOYSA-N 2 1 234.343 1.804 20 10 BDCDMP Cc1cc(O)c(C[N@H+]2CCC[NH2+]CC2)cc1C ZINC000843047754 588076286 /nfs/dbraw/zinc/07/62/86/588076286.db2.gz ZSIPRUMPPZXQII-UHFFFAOYSA-N 2 1 234.343 1.804 20 10 BDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000843053506 588076574 /nfs/dbraw/zinc/07/65/74/588076574.db2.gz ZKXWJCAHBPXWNJ-GFCCVEGCSA-N 2 1 234.343 1.742 20 10 BDCDMP CC[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000122246210 589572457 /nfs/dbraw/zinc/57/24/57/589572457.db2.gz WXJLLGPQUSDMTL-YPMHNXCESA-N 2 1 234.343 1.951 20 10 BDCDMP C[NH2+]CCC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000124753179 590081046 /nfs/dbraw/zinc/08/10/46/590081046.db2.gz REPWSVLDNGVMKH-UHFFFAOYSA-N 2 1 238.331 1.442 20 10 BDCDMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925691784 634320301 /nfs/dbraw/zinc/32/03/01/634320301.db2.gz JTSGSAVAYOCCAL-ZDUSSCGKSA-N 2 1 233.359 1.541 20 10 BDCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000259024267 635234109 /nfs/dbraw/zinc/23/41/09/635234109.db2.gz OGXBHZJNOYARLE-QWHCGFSZSA-N 2 1 232.327 1.591 20 10 BDCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000070171414 642985150 /nfs/dbraw/zinc/98/51/50/642985150.db2.gz GAFVFCMGSBPYQS-NEPJUHHUSA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@H]1CCC[N@H+](Cc2ccccc2O)[C@@H]1C[NH3+] ZINC000070175711 642987505 /nfs/dbraw/zinc/98/75/05/642987505.db2.gz YSGNHAYMMQYRNB-WCQYABFASA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@H]1CCC[N@@H+](Cc2ccccc2O)[C@@H]1C[NH3+] ZINC000070175711 642987509 /nfs/dbraw/zinc/98/75/09/642987509.db2.gz YSGNHAYMMQYRNB-WCQYABFASA-N 2 1 234.343 1.951 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000086884217 644473364 /nfs/dbraw/zinc/47/33/64/644473364.db2.gz PNNFQMRBBZTXKA-JQWIXIFHSA-N 2 1 220.316 1.561 20 10 BDCDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925689553 646415884 /nfs/dbraw/zinc/41/58/84/646415884.db2.gz BXKNOEXKDGFNJK-FZMZJTMJSA-N 2 1 233.359 1.541 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000381309954 710620315 /nfs/dbraw/zinc/62/03/15/710620315.db2.gz CSJMYALGJNEVFZ-GXTWGEPZSA-N 2 1 246.354 1.884 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000381309974 710620587 /nfs/dbraw/zinc/62/05/87/710620587.db2.gz CSJMYALGJNEVFZ-TZMCWYRMSA-N 2 1 246.354 1.884 20 10 BDCDMP C[NH+](C)CCC[N@H+](C)Cc1ccc(O)cc1O ZINC001204271635 978897155 /nfs/dbraw/zinc/89/71/55/978897155.db2.gz ATAQAJWTQGZONN-UHFFFAOYSA-N 2 1 238.331 1.481 20 10 BDCDMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(O)cc1O ZINC001204271635 978897161 /nfs/dbraw/zinc/89/71/61/978897161.db2.gz ATAQAJWTQGZONN-UHFFFAOYSA-N 2 1 238.331 1.481 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986441 966202934 /nfs/dbraw/zinc/20/29/34/966202934.db2.gz DWEULTAJFZETLV-WCQYABFASA-N 2 1 217.316 1.192 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986441 966202954 /nfs/dbraw/zinc/20/29/54/966202954.db2.gz DWEULTAJFZETLV-WCQYABFASA-N 2 1 217.316 1.192 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205191066 967416620 /nfs/dbraw/zinc/41/66/20/967416620.db2.gz VBRHWNYBTLCZCG-DGCLKSJQSA-N 2 1 234.343 1.931 20 10 BDCDMP C[C@@H]1C[C@@H]([N@H+]2CCc3cccc(O)c3C2)CC[NH2+]1 ZINC001246870600 973250241 /nfs/dbraw/zinc/25/02/41/973250241.db2.gz VXTAIAIMPCCBJC-YPMHNXCESA-N 2 1 246.354 1.891 20 10 BDCDMP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235991531 979276496 /nfs/dbraw/zinc/27/64/96/979276496.db2.gz OJXFEIJQJBQZDZ-HIFRSBDPSA-N 2 1 246.354 1.878 20 10 BDCDMP CCc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235991531 979276513 /nfs/dbraw/zinc/27/65/13/979276513.db2.gz OJXFEIJQJBQZDZ-HIFRSBDPSA-N 2 1 246.354 1.878 20 10 BDCDMP Nc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236321495 979533915 /nfs/dbraw/zinc/53/39/15/979533915.db2.gz UJCDTJCPTAITAS-OKILXGFUSA-N 2 1 245.370 1.700 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC001352791646 982580326 /nfs/dbraw/zinc/58/03/26/982580326.db2.gz YVVGHIIGAXBEGX-GFCCVEGCSA-N 2 1 233.359 1.830 20 10 BDCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)[C@H]1C[NH3+] ZINC001120263966 989620849 /nfs/dbraw/zinc/62/08/49/989620849.db2.gz YGYDIFMYWQDIHU-RISCZKNCSA-N 2 1 233.359 1.828 20 10 BDCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@H]1C[NH3+] ZINC001120263966 989620854 /nfs/dbraw/zinc/62/08/54/989620854.db2.gz YGYDIFMYWQDIHU-RISCZKNCSA-N 2 1 233.359 1.828 20 10 BDCDMP Nc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC001120269260 989624825 /nfs/dbraw/zinc/62/48/25/989624825.db2.gz PPOPZDWFPUJORX-AWEZNQCLSA-N 2 1 233.359 1.972 20 10 BDCDMP Nc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC001262487993 992892307 /nfs/dbraw/zinc/89/23/07/992892307.db2.gz MOBCVKWFKYKPCY-LBPRGKRZSA-N 2 1 205.305 1.096 20 10 BDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334753480 994626061 /nfs/dbraw/zinc/62/60/61/994626061.db2.gz FFHYEKMCJBSBQH-JQWIXIFHSA-N 2 1 219.332 1.438 20 10 BDCDMP C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000162047238 387299434 /nfs/dbraw/zinc/29/94/34/387299434.db2.gz YDEKOGOSGFVSJZ-SECBINFHSA-N 2 1 206.289 1.058 20 10 BDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000071409545 173371022 /nfs/dbraw/zinc/37/10/22/173371022.db2.gz VVPNPEXDLMUKJW-LBPRGKRZSA-N 2 1 234.343 1.742 20 10 BDCDMP Cc1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1O ZINC000853246923 588728437 /nfs/dbraw/zinc/72/84/37/588728437.db2.gz WLCNBFBRXQMGPO-UHFFFAOYSA-N 2 1 232.327 1.542 20 10 BDCDMP Oc1ccccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853246716 588728538 /nfs/dbraw/zinc/72/85/38/588728538.db2.gz QTAKXMROOICIPM-UHFFFAOYSA-N 2 1 218.300 1.234 20 10 BDCDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(F)c1O ZINC000853247415 588728832 /nfs/dbraw/zinc/72/88/32/588728832.db2.gz OVSXEMLYFPYAJO-GFCCVEGCSA-N 2 1 240.322 1.994 20 10 BDCDMP Cc1ccc(O)c(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000853246972 588728942 /nfs/dbraw/zinc/72/89/42/588728942.db2.gz XQUBYLGYSYKGAJ-UHFFFAOYSA-N 2 1 232.327 1.542 20 10 BDCDMP Oc1cccc2c1[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000854226183 588780702 /nfs/dbraw/zinc/78/07/02/588780702.db2.gz DSOCYVCBVGALLL-JYHUIVOISA-N 2 1 244.338 1.721 20 10 BDCDMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000841058258 584125726 /nfs/dbraw/zinc/12/57/26/584125726.db2.gz RJWQTQKSDMQWMA-GHMZBOCLSA-N 2 1 238.306 1.891 20 10 BDCDMP C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](C)[NH3+] ZINC000841076703 584753320 /nfs/dbraw/zinc/75/33/20/584753320.db2.gz MMLVXRQAVZPNQX-VHSXEESVSA-N 2 1 239.338 1.717 20 10 BDCDMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccccc1O ZINC000903431265 584761815 /nfs/dbraw/zinc/76/18/15/584761815.db2.gz PTWOJACHHKSCQY-YPMHNXCESA-N 2 1 234.343 1.680 20 10 BDCDMP CCN(C)c1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000817934445 586843404 /nfs/dbraw/zinc/84/34/04/586843404.db2.gz IQFRMASAHGLZHQ-NSHDSACASA-N 2 1 221.348 1.752 20 10 BDCDMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000817941354 586844918 /nfs/dbraw/zinc/84/49/18/586844918.db2.gz UABWZIBTKAQUIS-SECBINFHSA-N 2 1 226.295 1.791 20 10 BDCDMP C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[N@H+]1C ZINC000817956274 586849938 /nfs/dbraw/zinc/84/99/38/586849938.db2.gz VNRNFJXPDVJFOF-SWLSCSKDSA-N 2 1 247.386 1.884 20 10 BDCDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000817979278 586861182 /nfs/dbraw/zinc/86/11/82/586861182.db2.gz JMLJGCGPIZNPGV-PSASIEDQSA-N 2 1 226.295 1.919 20 10 BDCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000841028252 587936172 /nfs/dbraw/zinc/93/61/72/587936172.db2.gz NSBRQYUTODJVOT-OAHLLOKOSA-N 2 1 247.386 1.888 20 10 BDCDMP COc1ccc(O)c(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000841027960 587936369 /nfs/dbraw/zinc/93/63/69/587936369.db2.gz HUWPCYBLNFQDCC-GFCCVEGCSA-N 2 1 236.315 1.228 20 10 BDCDMP Cc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1O ZINC000841036104 587937629 /nfs/dbraw/zinc/93/76/29/587937629.db2.gz NZGAVCHMKUVJAW-LBPRGKRZSA-N 2 1 220.316 1.542 20 10 BDCDMP C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841059393 587940920 /nfs/dbraw/zinc/94/09/20/587940920.db2.gz RMGNIIKWWRGANC-DOMZBBRYSA-N 2 1 247.386 1.840 20 10 BDCDMP CCN(CC)c1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000841059885 587941963 /nfs/dbraw/zinc/94/19/63/587941963.db2.gz KYLUMQASRUJLPW-GFCCVEGCSA-N 2 1 235.375 1.970 20 10 BDCDMP Cc1cc(O)c(C[N@@H+](C)CCC[NH3+])cc1C ZINC000843051057 588077104 /nfs/dbraw/zinc/07/71/04/588077104.db2.gz UGLLFHQMSCPSLG-UHFFFAOYSA-N 2 1 222.332 1.790 20 10 BDCDMP Cc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1O ZINC000843124511 588083248 /nfs/dbraw/zinc/08/32/48/588083248.db2.gz BSHKPWZQJRDQDN-UHFFFAOYSA-N 2 1 220.316 1.622 20 10 BDCDMP C[N@H+](Cc1ccccc1O)C[C@H]1CC[NH2+]C1 ZINC000843357327 588104045 /nfs/dbraw/zinc/10/40/45/588104045.db2.gz INUPKRWIXVXEFO-NSHDSACASA-N 2 1 220.316 1.434 20 10 BDCDMP C[N@H+](CC[C@@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863558595 589298950 /nfs/dbraw/zinc/29/89/50/589298950.db2.gz ONOPUSVSLMACIZ-NSHDSACASA-N 2 1 219.332 1.705 20 10 BDCDMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863558595 589298951 /nfs/dbraw/zinc/29/89/51/589298951.db2.gz ONOPUSVSLMACIZ-NSHDSACASA-N 2 1 219.332 1.705 20 10 BDCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000259024263 635234871 /nfs/dbraw/zinc/23/48/71/635234871.db2.gz OGXBHZJNOYARLE-OLZOCXBDSA-N 2 1 232.327 1.591 20 10 BDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204801403 963665973 /nfs/dbraw/zinc/66/59/73/963665973.db2.gz OGUNMWBXVJVNTM-ZDUSSCGKSA-N 2 1 220.316 1.624 20 10 BDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204801403 963665982 /nfs/dbraw/zinc/66/59/82/963665982.db2.gz OGUNMWBXVJVNTM-ZDUSSCGKSA-N 2 1 220.316 1.624 20 10 BDCDMP Nc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205117156 967364492 /nfs/dbraw/zinc/36/44/92/967364492.db2.gz MCCMFHZVORCAJC-LBPRGKRZSA-N 2 1 219.332 1.582 20 10 BDCDMP C[C@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001205150375 967396646 /nfs/dbraw/zinc/39/66/46/967396646.db2.gz AMHMQJAMZWIEJG-CMPLNLGQSA-N 2 1 219.332 1.295 20 10 BDCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC001205289200 967482271 /nfs/dbraw/zinc/48/22/71/967482271.db2.gz UVCMBZMUBBPTLN-AWEZNQCLSA-N 2 1 233.359 1.972 20 10 BDCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N)cc1 ZINC001205917516 967882923 /nfs/dbraw/zinc/88/29/23/967882923.db2.gz ZPSVWAHVZXVTRF-AAEUAGOBSA-N 2 1 233.359 1.828 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206065173 968035953 /nfs/dbraw/zinc/03/59/53/968035953.db2.gz PMBDBUIQKFGJQB-DGCLKSJQSA-N 2 1 234.343 1.788 20 10 BDCDMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206065173 968035959 /nfs/dbraw/zinc/03/59/59/968035959.db2.gz PMBDBUIQKFGJQB-DGCLKSJQSA-N 2 1 234.343 1.788 20 10 BDCDMP C[N@@H+](Cc1ccc(N)cc1)C1CC([NH3+])C1 ZINC001334754198 976623899 /nfs/dbraw/zinc/62/38/99/976623899.db2.gz LTEYCHQMTGMDNF-UHFFFAOYSA-N 2 1 205.305 1.190 20 10 BDCDMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001334775135 976643659 /nfs/dbraw/zinc/64/36/59/976643659.db2.gz SSVMIXYFSMVROL-ZFWWWQNUSA-N 2 1 245.370 1.830 20 10 BDCDMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235174707 978989077 /nfs/dbraw/zinc/98/90/77/978989077.db2.gz XKLSZHSYGFWRIW-SWLSCSKDSA-N 2 1 246.354 1.932 20 10 BDCDMP Cc1cc(C)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235174707 978989081 /nfs/dbraw/zinc/98/90/81/978989081.db2.gz XKLSZHSYGFWRIW-SWLSCSKDSA-N 2 1 246.354 1.932 20 10 BDCDMP Nc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237410095 979886842 /nfs/dbraw/zinc/88/68/42/979886842.db2.gz BJLVEFHMFJTGGD-UKRRQHHQSA-N 2 1 245.370 1.843 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000691986367 985107751 /nfs/dbraw/zinc/10/77/51/985107751.db2.gz SGHJXQPTGTXFJU-UHFFFAOYSA-N 2 1 222.332 1.870 20 10 BDCDMP Cc1ccc(O)c(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000691986367 985107760 /nfs/dbraw/zinc/10/77/60/985107760.db2.gz SGHJXQPTGTXFJU-UHFFFAOYSA-N 2 1 222.332 1.870 20 10 BDCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000179574661 385473591 /nfs/dbraw/zinc/47/35/91/385473591.db2.gz RCKDLEDGWWOTDM-GFCCVEGCSA-N 2 1 234.343 1.776 20 10 BDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000071142081 173382178 /nfs/dbraw/zinc/38/21/78/173382178.db2.gz FDAVQGSQLYYLQZ-CQSZACIVSA-N 2 1 247.386 1.794 20 10 BDCDMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000817970476 586858128 /nfs/dbraw/zinc/85/81/28/586858128.db2.gz WXTMJRLROFBMPS-WDEREUQCSA-N 2 1 221.348 1.750 20 10 BDCDMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817972183 586859762 /nfs/dbraw/zinc/85/97/62/586859762.db2.gz UWPPINVTCIYUCL-GHMZBOCLSA-N 2 1 221.348 1.750 20 10 BDCDMP C[C@H]1CCNC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841058452 587940484 /nfs/dbraw/zinc/94/04/84/587940484.db2.gz HEMWVDSLODJIKO-CABZTGNLSA-N 2 1 238.306 1.619 20 10 BDCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841070595 587942756 /nfs/dbraw/zinc/94/27/56/587942756.db2.gz RIJNJQNDJIIUBC-LBPRGKRZSA-N 2 1 221.348 1.580 20 10 BDCDMP CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000841078535 587945015 /nfs/dbraw/zinc/94/50/15/587945015.db2.gz UNVNWVTZQQGJSO-YABSGUDNSA-N 2 1 249.333 1.199 20 10 BDCDMP Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000841091403 587946656 /nfs/dbraw/zinc/94/66/56/587946656.db2.gz XCHSDJQCGVSVBZ-CYBMUJFWSA-N 2 1 234.343 1.932 20 10 BDCDMP Cc1cc(O)c(C[N@H+](C)C2CC([NH3+])C2)cc1C ZINC000843125353 588083386 /nfs/dbraw/zinc/08/33/86/588083386.db2.gz SZWYMSIZXCROCH-UHFFFAOYSA-N 2 1 234.343 1.931 20 10 BDCDMP Oc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123170 588083715 /nfs/dbraw/zinc/08/37/15/588083715.db2.gz IMLPBBABCVNXDY-OAHLLOKOSA-N 2 1 246.354 1.968 20 10 BDCDMP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000133040077 591757470 /nfs/dbraw/zinc/75/74/70/591757470.db2.gz QGAWFIQZLPUHPP-ZDUSSCGKSA-N 2 1 234.343 1.884 20 10 BDCDMP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000133040077 591757471 /nfs/dbraw/zinc/75/74/71/591757471.db2.gz QGAWFIQZLPUHPP-ZDUSSCGKSA-N 2 1 234.343 1.884 20 10 BDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000215985044 592000955 /nfs/dbraw/zinc/00/09/55/592000955.db2.gz XTAJWQDQEKRHGU-NWDGAFQWSA-N 2 1 234.343 1.870 20 10 BDCDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC000230125956 641031357 /nfs/dbraw/zinc/03/13/57/641031357.db2.gz QWWVLFDTKNSXHH-KWCYVHTRSA-N 2 1 246.354 1.951 20 10 BDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723670184 711533341 /nfs/dbraw/zinc/53/33/41/711533341.db2.gz QDTBUDCYPHZLBK-GFCCVEGCSA-N 2 1 234.343 1.871 20 10 BDCDMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1C ZINC000258737648 711741005 /nfs/dbraw/zinc/74/10/05/711741005.db2.gz FPFLKXCWKKJSDK-UHFFFAOYSA-N 2 1 222.332 1.831 20 10 BDCDMP